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 3bnb_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNXXXXXXX XXXXXNLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AXXXXGTIRF VCNSWVYNTK LYKSVRIFFA NHTYVPSETP DATA SEQUENCE APLVEYREEE LKSLRGNGTG ERKEYDRIYD YDVYNDLGNP DKSEKLARPV DATA SEQUENCE LGGSSTFPYP RRGRTGRGPT VTDPNTEKQG EVFYVPRDEN LGHLKSKDAL DATA SEQUENCE EIGTKSLSQI VQPAFESAFD LKSTPIEFHS FQDVHDLYEG GIKLPRDVIS DATA SEQUENCE TIIPLPVIKE LYRTDGQHIL KFPQPHVVQV SQSAWMTDEE FAREMIAGVN DATA SEQUENCE PCVIRGLEEF PPKSNLDPAI YGDQSSKITA DSLDLDGYTM DEALGSRRLF DATA SEQUENCE MLDYHDIFMP YVRQINQLNS AKTYATRTIL FLREDGTLKP VAIELSLPHS DATA SEQUENCE AGDLSAAVSQ VVLPAKEGVE STIWLLAKAY VIVNDSCYHQ LMSHWLNTHA DATA SEQUENCE AMEPFVIATH RHLSVLHPIY KLLTPHYRNN MNINALARQS LINANGILET DATA SEQUENCE TFLPSKYSVE MSSAVYKNWV FTDQALPADL IKRGVAIKDP STPHGVRLLI DATA SEQUENCE EDYPYAADGL EIWAAIKTWV QEYVPLYYAR DDDVKNDSEL QHWWKEAVEK DATA SEQUENCE GHGDLKDKPW WPKLQTLEDL VEVCLIIIWI ASALHAAVNF GQYPYGGLIM DATA SEQUENCE NRPTASRRLL PEKGTPEYEE MINNHEKAYL RTITSKLPTL ISLSVIEILS DATA SEQUENCE THASDEVYLG QRDNPHWTSD SKALQAFQKF GNKLKEIEEK LVRRNNDPSL DATA SEQUENCE QGNRLGPVQL PYTLLYPSSE EGLTFRGIPN SISI 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 6 H HA 0.000 nan 4.556 nan 0.000 0.296 6 H C 0.000 175.416 175.328 0.147 0.000 0.993 6 H CA 0.000 56.107 56.048 0.098 0.000 1.023 6 H CB 0.000 29.820 29.762 0.096 0.000 1.292 7 K N 3.001 123.547 120.400 0.245 0.000 2.324 7 K HA 0.524 4.846 4.320 0.004 0.000 0.253 7 K C -0.546 176.219 176.600 0.274 0.000 0.932 7 K CA -0.801 55.646 56.287 0.267 0.000 0.799 7 K CB 2.712 35.350 32.500 0.232 0.000 1.154 7 K HN 0.389 nan 8.250 nan 0.000 0.425 8 I N 2.696 123.436 120.570 0.283 0.000 2.352 8 I HA 0.113 4.285 4.170 0.004 0.000 0.290 8 I C 0.480 176.669 176.117 0.120 0.000 1.036 8 I CA -0.418 61.000 61.300 0.196 0.000 1.336 8 I CB 0.567 38.650 38.000 0.139 0.000 1.407 8 I HN 0.368 nan 8.210 nan 0.000 0.497 9 K N 5.522 125.926 120.400 0.007 0.000 2.379 9 K HA 0.426 4.748 4.320 0.004 0.000 0.284 9 K C -0.016 176.482 176.600 -0.170 0.000 1.044 9 K CA -0.136 55.995 56.287 -0.260 0.000 0.974 9 K CB 0.747 33.164 32.500 -0.138 0.000 0.962 9 K HN 0.848 nan 8.250 nan 0.000 0.474 10 G N 1.742 110.394 108.800 -0.246 0.000 2.533 10 G HA2 0.486 4.448 3.960 0.004 0.000 0.304 10 G HA3 0.486 4.448 3.960 0.004 0.000 0.304 10 G C -1.316 173.493 174.900 -0.151 0.000 1.263 10 G CA -0.536 44.499 45.100 -0.108 0.000 0.964 10 G HN 0.499 nan 8.290 nan 0.000 0.479 11 T N 0.545 115.034 114.554 -0.109 0.000 2.890 11 T HA 0.444 4.796 4.350 0.004 0.000 0.295 11 T C -0.482 174.161 174.700 -0.094 0.000 0.993 11 T CA -0.291 61.753 62.100 -0.093 0.000 0.979 11 T CB 1.600 70.421 68.868 -0.078 0.000 0.967 11 T HN 0.367 nan 8.240 nan 0.000 0.441 12 V N 4.065 123.938 119.914 -0.069 0.000 2.407 12 V HA 0.464 4.586 4.120 0.004 0.000 0.278 12 V C 0.026 176.112 176.094 -0.012 0.000 1.037 12 V CA -0.625 61.629 62.300 -0.077 0.000 0.900 12 V CB 1.605 33.367 31.823 -0.102 0.000 0.983 12 V HN 0.684 nan 8.190 nan 0.000 0.459 13 V N 6.823 126.707 119.914 -0.050 0.000 2.435 13 V HA 0.652 4.774 4.120 0.004 0.000 0.290 13 V C -0.290 175.768 176.094 -0.059 0.000 1.030 13 V CA -0.423 61.852 62.300 -0.042 0.000 0.881 13 V CB 1.383 33.179 31.823 -0.045 0.000 0.983 13 V HN 0.793 nan 8.190 nan 0.000 0.445 14 L N 2.545 123.739 121.223 -0.050 0.000 2.403 14 L HA 0.789 5.131 4.340 0.004 0.000 0.253 14 L C -0.770 176.080 176.870 -0.032 0.000 1.045 14 L CA -0.867 53.931 54.840 -0.071 0.000 0.845 14 L CB 2.253 44.184 42.059 -0.213 0.000 1.447 14 L HN 0.625 nan 8.230 nan 0.000 0.411 15 M N 1.756 121.386 119.600 0.050 0.000 2.134 15 M HA 0.613 5.095 4.480 0.004 0.000 0.310 15 M C -2.651 173.746 176.300 0.161 0.000 0.966 15 M CA -1.621 53.730 55.300 0.084 0.000 0.922 15 M CB 2.187 34.859 32.600 0.120 0.000 1.537 15 M HN 0.471 nan 8.290 nan 0.000 0.424 16 P HA 0.039 nan 4.420 nan 0.000 0.267 16 P C -0.063 177.455 177.300 0.364 0.000 1.200 16 P CA 0.119 63.441 63.100 0.369 0.000 0.772 16 P CB 0.561 32.470 31.700 0.349 0.000 0.855 17 K N 1.893 122.569 120.400 0.459 0.000 2.127 17 K HA -0.232 4.091 4.320 0.004 0.000 0.208 17 K C 0.703 177.483 176.600 0.300 0.000 1.047 17 K CA 1.779 58.347 56.287 0.470 0.000 0.927 17 K CB -0.002 32.700 32.500 0.336 0.000 0.716 17 K HN 0.483 nan 8.250 nan 0.000 0.450 32 L N 1.080 122.478 121.223 0.291 0.000 2.093 32 L HA -0.074 4.268 4.340 0.004 0.000 0.208 32 L C 1.657 178.815 176.870 0.480 0.000 1.085 32 L CA 1.092 56.193 54.840 0.436 0.000 0.755 32 L CB -0.552 41.629 42.059 0.203 0.000 0.904 32 L HN 0.463 nan 8.230 nan 0.000 0.435 33 N N 0.608 119.469 118.700 0.268 0.000 2.272 33 N HA -0.166 4.576 4.740 0.004 0.000 0.185 33 N C 1.803 177.408 175.510 0.158 0.000 1.014 33 N CA 1.388 54.557 53.050 0.198 0.000 0.870 33 N CB -0.263 38.291 38.487 0.111 0.000 0.975 33 N HN 0.313 nan 8.380 nan 0.000 0.433 34 A N -0.401 122.491 122.820 0.121 0.000 2.125 34 A HA -0.045 4.277 4.320 0.004 0.000 0.219 34 A C 1.582 179.085 177.584 -0.135 0.000 1.156 34 A CA 0.690 52.708 52.037 -0.033 0.000 0.671 34 A CB -0.769 18.162 19.000 -0.114 0.000 0.794 34 A HN 0.239 nan 8.150 nan 0.000 0.459 35 F N -0.113 119.813 119.950 -0.039 0.000 2.748 35 F HA 0.179 4.708 4.527 0.004 0.000 0.299 35 F C 1.182 176.878 175.800 -0.173 0.000 1.154 35 F CA 0.140 58.016 58.000 -0.208 0.000 1.446 35 F CB -0.230 38.428 39.000 -0.569 0.000 1.112 35 F HN 0.094 nan 8.300 nan 0.000 0.584 36 L N -1.474 119.809 121.223 0.100 0.000 2.946 36 L HA 0.540 4.882 4.340 0.004 0.000 0.189 36 L C 1.726 178.611 176.870 0.025 0.000 1.249 36 L CA -0.112 54.775 54.840 0.078 0.000 1.098 36 L CB -0.823 41.302 42.059 0.110 0.000 2.064 36 L HN 0.246 nan 8.230 nan 0.000 0.522 37 G N 0.051 108.846 108.800 -0.009 0.000 2.611 37 G HA2 -0.351 3.611 3.960 0.004 0.000 0.301 37 G HA3 -0.351 3.611 3.960 0.004 0.000 0.301 37 G C 0.463 175.232 174.900 -0.218 0.000 1.233 37 G CA 0.519 45.558 45.100 -0.101 0.000 0.993 37 G HN 0.649 nan 8.290 nan 0.000 0.553 38 R N 0.531 120.837 120.500 -0.324 0.000 2.586 38 R HA 0.421 4.764 4.340 0.004 0.000 0.306 38 R C 2.101 178.382 176.300 -0.031 0.000 1.079 38 R CA 0.513 56.237 56.100 -0.626 0.000 1.083 38 R CB 0.268 30.088 30.300 -0.799 0.000 1.306 38 R HN 0.297 nan 8.270 nan 0.000 0.567 39 S N 0.183 115.963 115.700 0.132 0.000 2.387 39 S HA 0.006 4.479 4.470 0.004 0.000 0.226 39 S C 0.804 175.667 174.600 0.437 0.000 1.026 39 S CA 0.659 58.996 58.200 0.228 0.000 0.972 39 S CB 0.399 63.630 63.200 0.052 0.000 0.814 39 S HN 0.034 nan 8.310 nan 0.000 0.477 40 V N 2.021 122.217 119.914 0.471 0.000 2.567 40 V HA 0.473 4.595 4.120 0.004 0.000 0.298 40 V C -0.667 175.565 176.094 0.229 0.000 1.047 40 V CA -0.826 61.680 62.300 0.342 0.000 0.880 40 V CB 1.820 33.727 31.823 0.140 0.000 1.009 40 V HN 0.317 nan 8.190 nan 0.000 0.429 41 S N 5.510 121.253 115.700 0.072 0.000 2.501 41 S HA 0.919 5.391 4.470 0.004 0.000 0.301 41 S C -1.079 173.486 174.600 -0.058 0.000 1.096 41 S CA -0.706 57.301 58.200 -0.322 0.000 1.063 41 S CB 1.943 64.707 63.200 -0.726 0.000 1.042 41 S HN 0.386 nan 8.310 nan 0.000 0.494 42 L N 1.909 123.110 121.223 -0.036 0.000 2.342 42 L HA 0.586 4.928 4.340 0.004 0.000 0.271 42 L C -0.217 176.784 176.870 0.220 0.000 1.008 42 L CA -0.250 54.682 54.840 0.153 0.000 0.818 42 L CB 2.001 44.148 42.059 0.147 0.000 1.296 42 L HN 0.792 nan 8.230 nan 0.000 0.427 43 Q N 2.687 122.623 119.800 0.226 0.000 2.292 43 Q HA 0.567 4.909 4.340 0.004 0.000 0.270 43 Q C -1.276 174.744 176.000 0.033 0.000 1.024 43 Q CA -0.548 55.373 55.803 0.196 0.000 0.768 43 Q CB 2.452 31.341 28.738 0.252 0.000 1.250 43 Q HN 0.452 nan 8.270 nan 0.000 0.447 44 L N 3.188 124.302 121.223 -0.180 0.000 2.439 44 L HA 0.387 4.730 4.340 0.004 0.000 0.269 44 L C -0.210 176.584 176.870 -0.126 0.000 1.179 44 L CA -0.033 54.539 54.840 -0.447 0.000 0.828 44 L CB 0.375 41.778 42.059 -1.094 0.000 1.106 44 L HN 0.509 nan 8.230 nan 0.000 0.467 45 I N 1.233 121.697 120.570 -0.175 0.000 2.498 45 I HA 0.169 4.342 4.170 0.004 0.000 0.290 45 I C 0.044 176.223 176.117 0.103 0.000 1.032 45 I CA -0.241 61.046 61.300 -0.022 0.000 1.073 45 I CB 2.079 39.861 38.000 -0.364 0.000 1.251 45 I HN 0.496 nan 8.210 nan 0.000 0.426 46 S N 3.598 119.501 115.700 0.339 0.000 2.548 46 S HA 0.413 4.885 4.470 0.004 0.000 0.277 46 S C 0.976 175.718 174.600 0.236 0.000 1.315 46 S CA -0.070 58.350 58.200 0.367 0.000 1.050 46 S CB 1.222 64.667 63.200 0.408 0.000 0.918 46 S HN 0.736 nan 8.310 nan 0.000 0.497 47 A N 3.286 126.224 122.820 0.195 0.000 2.195 47 A HA 0.158 4.480 4.320 0.004 0.000 0.210 47 A C 1.768 179.415 177.584 0.105 0.000 1.165 47 A CA 0.986 53.114 52.037 0.153 0.000 0.806 47 A CB -0.316 18.770 19.000 0.144 0.000 0.847 47 A HN 0.937 nan 8.150 nan 0.000 0.482 48 T N -4.393 110.232 114.554 0.119 0.000 2.958 48 T HA 0.316 4.669 4.350 0.004 0.000 0.256 48 T C 0.261 175.000 174.700 0.065 0.000 0.983 48 T CA 0.120 62.264 62.100 0.073 0.000 0.924 48 T CB 0.069 68.979 68.868 0.070 0.000 1.136 48 T HN 0.119 nan 8.240 nan 0.000 0.506 49 K N 1.688 122.143 120.400 0.092 0.000 2.413 49 K HA 0.791 5.114 4.320 0.004 0.000 0.257 49 K C -1.208 175.431 176.600 0.066 0.000 0.946 49 K CA -0.496 55.825 56.287 0.058 0.000 0.823 49 K CB 1.694 34.216 32.500 0.036 0.000 1.109 49 K HN 0.316 nan 8.250 nan 0.000 0.427 50 A N 3.253 126.095 122.820 0.037 0.000 2.356 50 A HA 0.572 4.895 4.320 0.004 0.000 0.323 50 A C -0.855 176.735 177.584 0.010 0.000 1.119 50 A CA -0.745 51.314 52.037 0.038 0.000 0.790 50 A CB 0.592 19.606 19.000 0.022 0.000 1.273 50 A HN 0.895 nan 8.150 nan 0.000 0.452 51 D N 0.796 121.206 120.400 0.016 0.000 2.380 51 D HA 0.362 5.004 4.640 0.004 0.000 0.254 51 D C 1.137 177.384 176.300 -0.087 0.000 1.288 51 D CA 0.190 54.176 54.000 -0.024 0.000 1.008 51 D CB 0.353 41.160 40.800 0.010 0.000 1.099 51 D HN 0.487 nan 8.370 nan 0.000 0.537 52 A N -1.146 121.554 122.820 -0.201 0.000 2.172 52 A HA -0.147 4.175 4.320 0.004 0.000 0.216 52 A C 1.268 178.641 177.584 -0.352 0.000 1.154 52 A CA 0.885 52.742 52.037 -0.298 0.000 0.701 52 A CB -0.729 18.040 19.000 -0.385 0.000 0.789 52 A HN 0.597 nan 8.150 nan 0.000 0.465 53 H N -1.446 117.618 119.070 -0.010 0.000 2.520 53 H HA 0.296 4.854 4.556 0.004 0.000 0.284 53 H C 1.589 176.893 175.328 -0.041 0.000 1.037 53 H CA 0.310 56.344 56.048 -0.023 0.000 1.168 53 H CB -0.019 29.729 29.762 -0.022 0.000 1.497 53 H HN 0.565 nan 8.280 nan 0.000 0.547 54 G N 1.386 110.198 108.800 0.020 0.000 2.159 54 G HA2 -0.298 3.664 3.960 0.004 0.000 0.256 54 G HA3 -0.298 3.664 3.960 0.004 0.000 0.256 54 G C 0.294 175.174 174.900 -0.034 0.000 0.977 54 G CA 0.091 45.187 45.100 -0.007 0.000 0.652 54 G HN 0.325 nan 8.290 nan 0.000 0.531 55 K N 0.723 121.100 120.400 -0.037 0.000 2.172 55 K HA 0.529 4.851 4.320 0.004 0.000 0.276 55 K C 1.137 177.772 176.600 0.058 0.000 1.013 55 K CA 0.004 56.211 56.287 -0.133 0.000 0.913 55 K CB 1.122 33.495 32.500 -0.212 0.000 1.055 55 K HN 0.316 nan 8.250 nan 0.000 0.461 56 G N 2.829 111.755 108.800 0.209 0.000 2.321 56 G HA2 -0.092 3.871 3.960 0.004 0.000 0.237 56 G HA3 -0.092 3.871 3.960 0.004 0.000 0.237 56 G C -0.409 174.679 174.900 0.314 0.000 1.282 56 G CA -0.202 45.088 45.100 0.316 0.000 0.886 56 G HN 0.517 nan 8.290 nan 0.000 0.528 57 K N 0.341 120.869 120.400 0.213 0.000 2.436 57 K HA 0.236 4.558 4.320 0.004 0.000 0.275 57 K C -0.071 176.675 176.600 0.244 0.000 0.999 57 K CA -0.172 56.217 56.287 0.171 0.000 0.980 57 K CB 1.140 33.670 32.500 0.050 0.000 0.919 57 K HN 0.193 nan 8.250 nan 0.000 0.484 58 V N 2.281 122.330 119.914 0.225 0.000 2.459 58 V HA 0.295 4.418 4.120 0.004 0.000 0.295 58 V C 0.815 177.064 176.094 0.259 0.000 1.029 58 V CA -0.847 61.615 62.300 0.270 0.000 0.874 58 V CB 1.542 33.540 31.823 0.291 0.000 0.985 58 V HN 0.966 nan 8.190 nan 0.000 0.438 59 G N 3.194 112.232 108.800 0.397 0.000 2.611 59 G HA2 0.309 4.271 3.960 0.004 0.000 0.273 59 G HA3 0.309 4.271 3.960 0.004 0.000 0.273 59 G C -0.171 174.883 174.900 0.257 0.000 1.305 59 G CA -0.637 44.687 45.100 0.374 0.000 1.010 59 G HN 0.665 nan 8.290 nan 0.000 0.509 60 K N 0.229 120.772 120.400 0.237 0.000 2.258 60 K HA 0.088 4.410 4.320 0.004 0.000 0.264 60 K C -0.338 176.363 176.600 0.168 0.000 1.007 60 K CA -0.302 56.093 56.287 0.179 0.000 0.941 60 K CB 0.542 33.139 32.500 0.161 0.000 0.966 60 K HN 0.387 nan 8.250 nan 0.000 0.480 61 D N 2.139 122.601 120.400 0.102 0.000 2.487 61 D HA -0.017 4.625 4.640 0.004 0.000 0.243 61 D C -0.502 175.738 176.300 -0.100 0.000 1.154 61 D CA 0.880 54.866 54.000 -0.024 0.000 0.876 61 D CB 0.613 41.387 40.800 -0.042 0.000 1.161 61 D HN 0.332 nan 8.370 nan 0.000 0.478 62 T N 2.909 117.329 114.554 -0.224 0.000 2.881 62 T HA 0.364 4.716 4.350 0.004 0.000 0.291 62 T C -0.146 174.328 174.700 -0.376 0.000 0.990 62 T CA -0.582 61.402 62.100 -0.194 0.000 0.976 62 T CB 0.555 69.336 68.868 -0.146 0.000 0.970 62 T HN 0.052 nan 8.240 nan 0.000 0.438 63 F N 1.494 121.425 119.950 -0.033 0.000 2.403 63 F HA 0.531 5.060 4.527 0.004 0.000 0.326 63 F C 0.706 176.458 175.800 -0.080 0.000 1.081 63 F CA -1.388 56.599 58.000 -0.023 0.000 1.041 63 F CB 0.695 39.697 39.000 0.002 0.000 1.234 63 F HN 0.266 nan 8.300 nan 0.000 0.503 64 L N 1.911 123.200 121.223 0.108 0.000 2.490 64 L HA 0.071 4.413 4.340 0.004 0.000 0.274 64 L C 1.205 178.125 176.870 0.082 0.000 1.201 64 L CA 0.242 55.093 54.840 0.018 0.000 0.869 64 L CB 0.420 42.417 42.059 -0.103 0.000 1.123 64 L HN 0.798 nan 8.230 nan 0.000 0.484 65 E N 1.714 121.961 120.200 0.078 0.000 2.340 65 E HA 0.298 4.650 4.350 0.004 0.000 0.198 65 E C 0.680 177.342 176.600 0.104 0.000 0.961 65 E CA 0.338 56.789 56.400 0.085 0.000 0.905 65 E CB 0.733 30.476 29.700 0.072 0.000 0.884 65 E HN 0.709 nan 8.360 nan 0.000 0.491 66 G N 0.647 109.534 108.800 0.145 0.000 2.506 66 G HA2 0.445 4.407 3.960 0.004 0.000 0.292 66 G HA3 0.445 4.407 3.960 0.004 0.000 0.292 66 G C -1.715 173.259 174.900 0.122 0.000 1.425 66 G CA -1.048 44.132 45.100 0.132 0.000 0.788 66 G HN 0.023 nan 8.290 nan 0.000 0.490 67 I N 1.608 122.174 120.570 -0.007 0.000 2.371 67 I HA 0.243 4.415 4.170 0.004 0.000 0.290 67 I C 0.208 176.207 176.117 -0.197 0.000 1.028 67 I CA -0.687 60.458 61.300 -0.259 0.000 1.345 67 I CB 1.408 39.245 38.000 -0.271 0.000 1.407 67 I HN 0.344 nan 8.210 nan 0.000 0.501 68 N N 4.401 122.949 118.700 -0.254 0.000 2.414 68 N HA 0.148 4.890 4.740 0.004 0.000 0.256 68 N C 0.455 175.865 175.510 -0.166 0.000 1.029 68 N CA -0.079 52.874 53.050 -0.162 0.000 0.948 68 N CB 0.990 39.393 38.487 -0.140 0.000 1.102 68 N HN 0.707 nan 8.380 nan 0.000 0.496 69 T N -0.861 113.625 114.554 -0.114 0.000 3.085 69 T HA 0.151 4.503 4.350 0.004 0.000 0.264 69 T C 1.080 175.739 174.700 -0.068 0.000 1.019 69 T CA -0.241 61.801 62.100 -0.096 0.000 0.910 69 T CB 0.005 68.825 68.868 -0.080 0.000 1.059 69 T HN 0.252 nan 8.240 nan 0.000 0.542 70 S N 1.248 116.911 115.700 -0.061 0.000 2.439 70 S HA 0.222 4.694 4.470 0.004 0.000 0.224 70 S C 0.623 175.200 174.600 -0.040 0.000 1.029 70 S CA -0.386 57.788 58.200 -0.042 0.000 0.946 70 S CB -0.286 62.893 63.200 -0.034 0.000 0.797 70 S HN 0.492 nan 8.310 nan 0.000 0.504 71 L N 4.688 125.881 121.223 -0.050 0.000 2.456 71 L HA 0.274 4.617 4.340 0.004 0.000 0.277 71 L C -1.856 174.992 176.870 -0.035 0.000 1.124 71 L CA -1.580 53.235 54.840 -0.041 0.000 0.880 71 L CB 0.228 42.256 42.059 -0.051 0.000 1.192 71 L HN -0.113 nan 8.230 nan 0.000 0.463 72 P HA 0.002 nan 4.420 nan 0.000 0.215 72 P C 0.091 177.382 177.300 -0.015 0.000 1.157 72 P CA 0.793 63.882 63.100 -0.018 0.000 0.856 72 P CB 0.062 31.755 31.700 -0.011 0.000 0.786 73 T N 1.048 115.597 114.554 -0.008 0.000 2.723 73 T HA 0.248 4.601 4.350 0.004 0.000 0.297 73 T C 0.513 175.209 174.700 -0.007 0.000 0.925 73 T CA 0.071 62.170 62.100 -0.002 0.000 1.030 73 T CB 0.454 69.328 68.868 0.009 0.000 0.905 73 T HN -0.171 nan 8.240 nan 0.000 0.502 74 L N 3.465 124.681 121.223 -0.011 0.000 2.692 74 L HA 0.562 4.904 4.340 0.004 0.000 0.175 74 L C 1.389 178.257 176.870 -0.004 0.000 1.112 74 L CA 1.611 56.441 54.840 -0.015 0.000 0.908 74 L CB -0.921 41.114 42.059 -0.039 0.000 1.672 74 L HN 0.870 nan 8.230 nan 0.000 0.500 75 G N 0.429 109.226 108.800 -0.005 0.000 2.668 75 G HA2 0.069 4.031 3.960 0.004 0.000 0.266 75 G HA3 0.069 4.031 3.960 0.004 0.000 0.266 75 G C 0.681 175.587 174.900 0.010 0.000 1.328 75 G CA 0.410 45.513 45.100 0.004 0.000 0.911 75 G HN 1.796 nan 8.290 nan 0.000 0.567 76 A N -1.520 121.312 122.820 0.020 0.000 2.596 76 A HA 0.311 4.633 4.320 0.004 0.000 0.300 76 A C 2.688 180.289 177.584 0.029 0.000 1.495 76 A CA 1.677 53.731 52.037 0.029 0.000 0.769 76 A CB -1.487 17.536 19.000 0.038 0.000 1.047 76 A HN 3.175 nan 8.150 nan 0.000 0.436 77 G N -1.501 107.313 108.800 0.023 0.000 2.321 77 G HA2 -0.263 3.700 3.960 0.004 0.000 0.287 77 G HA3 -0.263 3.700 3.960 0.004 0.000 0.287 77 G C -0.079 174.831 174.900 0.017 0.000 1.018 77 G CA 1.078 46.193 45.100 0.025 0.000 0.855 77 G HN 1.141 nan 8.290 nan 0.000 0.507 78 E N -0.142 120.057 120.200 -0.001 0.000 2.277 78 E HA 0.613 4.965 4.350 0.004 0.000 0.274 78 E C -0.033 176.522 176.600 -0.074 0.000 1.022 78 E CA -0.295 56.093 56.400 -0.020 0.000 0.853 78 E CB 1.171 30.864 29.700 -0.012 0.000 1.086 78 E HN 0.202 nan 8.360 nan 0.000 0.397 79 S N 0.720 116.349 115.700 -0.119 0.000 2.542 79 S HA 0.702 5.174 4.470 0.004 0.000 0.293 79 S C -1.030 173.381 174.600 -0.314 0.000 1.089 79 S CA -0.867 57.176 58.200 -0.261 0.000 0.961 79 S CB 1.856 64.836 63.200 -0.367 0.000 1.062 79 S HN 0.575 nan 8.310 nan 0.000 0.483 80 A N 1.866 124.417 122.820 -0.449 0.000 2.330 80 A HA 0.864 5.186 4.320 0.004 0.000 0.327 80 A C -1.306 175.919 177.584 -0.599 0.000 1.155 80 A CA -0.506 51.327 52.037 -0.341 0.000 0.803 80 A CB 0.279 19.155 19.000 -0.207 0.000 1.208 80 A HN 0.631 nan 8.150 nan 0.000 0.477 81 F N 1.679 121.534 119.950 -0.158 0.000 2.520 81 F HA 0.359 4.888 4.527 0.004 0.000 0.322 81 F C 0.316 176.038 175.800 -0.131 0.000 1.103 81 F CA -0.807 57.109 58.000 -0.140 0.000 0.926 81 F CB 1.948 40.849 39.000 -0.165 0.000 1.154 81 F HN 0.491 nan 8.300 nan 0.000 0.453 82 N N 3.235 121.968 118.700 0.055 0.000 2.530 82 N HA 0.514 5.256 4.740 0.004 0.000 0.273 82 N C -0.964 174.524 175.510 -0.037 0.000 1.173 82 N CA -0.012 53.031 53.050 -0.012 0.000 0.967 82 N CB 1.815 40.319 38.487 0.028 0.000 1.109 82 N HN 0.700 nan 8.380 nan 0.000 0.453 83 I N 0.573 121.032 120.570 -0.186 0.000 2.775 83 I HA 0.248 4.420 4.170 0.004 0.000 0.295 83 I C -1.602 174.208 176.117 -0.511 0.000 1.287 83 I CA -0.634 60.482 61.300 -0.307 0.000 1.029 83 I CB 1.679 39.413 38.000 -0.444 0.000 1.282 83 I HN 0.495 nan 8.210 nan 0.000 0.426 84 H N 5.964 124.804 119.070 -0.384 0.000 2.609 84 H HA 0.522 5.080 4.556 0.004 0.000 0.344 84 H C -1.524 173.611 175.328 -0.321 0.000 1.040 84 H CA -0.144 55.758 56.048 -0.243 0.000 1.216 84 H CB 1.603 31.312 29.762 -0.089 0.000 1.529 84 H HN 0.280 nan 8.280 nan 0.000 0.519 85 F N 1.032 121.039 119.950 0.094 0.000 2.436 85 F HA 0.172 4.702 4.527 0.004 0.000 0.340 85 F C 0.779 176.701 175.800 0.203 0.000 1.113 85 F CA -0.805 57.261 58.000 0.110 0.000 1.022 85 F CB 1.246 40.262 39.000 0.026 0.000 1.128 85 F HN 0.506 nan 8.300 nan 0.000 0.466 86 E N 4.835 125.264 120.200 0.382 0.000 2.265 86 E HA -0.021 4.332 4.350 0.004 0.000 0.272 86 E C -1.376 175.491 176.600 0.446 0.000 1.067 86 E CA -0.065 56.528 56.400 0.322 0.000 0.900 86 E CB 0.509 30.338 29.700 0.215 0.000 1.017 86 E HN 0.677 nan 8.360 nan 0.000 0.431 87 W N 5.548 126.937 121.300 0.148 0.000 3.097 87 W HA 0.155 4.817 4.660 0.004 0.000 0.325 87 W C -1.544 175.030 176.519 0.092 0.000 1.056 87 W CA -0.787 56.623 57.345 0.108 0.000 1.254 87 W CB 1.107 30.624 29.460 0.094 0.000 1.202 87 W HN 0.580 nan 8.180 nan 0.000 0.400 88 D N 1.348 121.666 120.400 -0.136 0.000 2.313 88 D HA 0.403 5.045 4.640 0.004 0.000 0.247 88 D C 1.707 177.937 176.300 -0.118 0.000 1.094 88 D CA 0.794 54.741 54.000 -0.089 0.000 0.925 88 D CB 1.698 42.427 40.800 -0.118 0.000 1.188 88 D HN 0.433 nan 8.370 nan 0.000 0.430 89 G N 0.415 109.196 108.800 -0.031 0.000 2.462 89 G HA2 -0.273 3.689 3.960 0.004 0.000 0.220 89 G HA3 -0.273 3.689 3.960 0.004 0.000 0.220 89 G C 1.452 176.330 174.900 -0.036 0.000 1.121 89 G CA 1.124 46.231 45.100 0.012 0.000 0.758 89 G HN 0.537 nan 8.290 nan 0.000 0.559 90 S N -0.220 115.422 115.700 -0.097 0.000 2.442 90 S HA -0.030 4.442 4.470 0.004 0.000 0.236 90 S C 2.086 176.592 174.600 -0.157 0.000 1.007 90 S CA 1.438 59.574 58.200 -0.107 0.000 0.965 90 S CB -0.205 62.928 63.200 -0.111 0.000 0.773 90 S HN 0.224 nan 8.310 nan 0.000 0.504 91 M N 1.581 120.999 119.600 -0.304 0.000 2.618 91 M HA 0.310 4.792 4.480 0.004 0.000 0.240 91 M C 1.154 177.416 176.300 -0.063 0.000 1.123 91 M CA 0.690 55.710 55.300 -0.467 0.000 1.060 91 M CB -0.475 31.262 32.600 -1.437 0.000 1.535 91 M HN 0.629 nan 8.290 nan 0.000 0.507 92 G N 0.389 109.244 108.800 0.091 0.000 2.584 92 G HA2 -0.189 3.773 3.960 0.004 0.000 0.229 92 G HA3 -0.189 3.773 3.960 0.004 0.000 0.229 92 G C -0.571 174.578 174.900 0.415 0.000 1.320 92 G CA -0.520 44.712 45.100 0.220 0.000 0.891 92 G HN 0.178 nan 8.290 nan 0.000 0.573 93 I N 2.194 122.932 120.570 0.281 0.000 2.321 93 I HA 0.376 4.549 4.170 0.004 0.000 0.291 93 I C -2.001 174.208 176.117 0.153 0.000 0.998 93 I CA -2.600 58.820 61.300 0.200 0.000 1.227 93 I CB 0.897 38.966 38.000 0.115 0.000 1.368 93 I HN 0.149 nan 8.210 nan 0.000 0.466 94 P HA 0.134 nan 4.420 nan 0.000 0.264 94 P C 0.802 178.133 177.300 0.052 0.000 1.193 94 P CA 0.219 63.230 63.100 -0.149 0.000 0.763 94 P CB 0.734 32.142 31.700 -0.486 0.000 0.810 95 G N 1.323 110.192 108.800 0.115 0.000 3.104 95 G HA2 0.532 4.495 3.960 0.004 0.000 0.237 95 G HA3 0.532 4.495 3.960 0.004 0.000 0.237 95 G C 0.025 175.069 174.900 0.241 0.000 1.035 95 G CA 0.440 45.648 45.100 0.179 0.000 0.844 95 G HN 0.762 nan 8.290 nan 0.000 0.531 96 A N -0.330 122.613 122.820 0.205 0.000 2.564 96 A HA 0.815 5.137 4.320 0.004 0.000 0.291 96 A C -1.740 175.780 177.584 -0.106 0.000 1.102 96 A CA -0.780 51.262 52.037 0.010 0.000 0.660 96 A CB 0.859 19.523 19.000 -0.559 0.000 1.283 96 A HN 1.047 nan 8.150 nan 0.000 0.430 97 F N -1.973 117.696 119.950 -0.469 0.000 2.654 97 F HA 0.824 5.354 4.527 0.004 0.000 0.308 97 F C -1.746 173.788 175.800 -0.444 0.000 1.108 97 F CA -1.167 56.530 58.000 -0.505 0.000 0.957 97 F CB 0.780 39.453 39.000 -0.544 0.000 1.309 97 F HN 0.513 nan 8.300 nan 0.000 0.446 98 Y N 2.720 122.971 120.300 -0.080 0.000 2.376 98 Y HA 0.702 5.255 4.550 0.004 0.000 0.325 98 Y C -0.128 175.855 175.900 0.139 0.000 1.199 98 Y CA -1.368 56.669 58.100 -0.105 0.000 1.206 98 Y CB 1.659 40.065 38.460 -0.089 0.000 1.229 98 Y HN 0.787 nan 8.280 nan 0.000 0.480 99 I N 2.323 123.062 120.570 0.282 0.000 2.619 99 I HA 0.434 4.606 4.170 0.004 0.000 0.292 99 I C -1.620 174.577 176.117 0.133 0.000 1.100 99 I CA -0.783 60.688 61.300 0.285 0.000 1.043 99 I CB 1.520 39.786 38.000 0.445 0.000 1.239 99 I HN 0.556 nan 8.210 nan 0.000 0.420 100 K N 4.872 125.309 120.400 0.062 0.000 2.426 100 K HA 0.351 4.673 4.320 0.004 0.000 0.254 100 K C -1.078 175.451 176.600 -0.118 0.000 0.936 100 K CA -0.844 55.376 56.287 -0.111 0.000 0.801 100 K CB 1.646 33.953 32.500 -0.322 0.000 1.139 100 K HN 0.400 nan 8.250 nan 0.000 0.424 101 N N 2.418 121.075 118.700 -0.072 0.000 2.439 101 N HA 0.124 4.866 4.740 0.004 0.000 0.249 101 N C -0.587 174.873 175.510 -0.083 0.000 1.003 101 N CA -0.151 52.945 53.050 0.077 0.000 0.942 101 N CB 0.459 39.013 38.487 0.112 0.000 1.115 101 N HN 0.498 nan 8.380 nan 0.000 0.505 102 Y N 1.916 122.324 120.300 0.179 0.000 2.466 102 Y HA 0.278 4.831 4.550 0.004 0.000 0.272 102 Y C 0.823 176.762 175.900 0.065 0.000 1.169 102 Y CA 0.015 58.186 58.100 0.117 0.000 1.285 102 Y CB 0.017 38.558 38.460 0.135 0.000 1.078 102 Y HN 0.384 nan 8.280 nan 0.000 0.523 103 M N 0.065 119.769 119.600 0.173 0.000 2.226 103 M HA 0.026 4.508 4.480 0.004 0.000 0.324 103 M C 1.322 177.650 176.300 0.047 0.000 1.112 103 M CA -0.085 55.256 55.300 0.068 0.000 1.176 103 M CB 0.664 33.257 32.600 -0.012 0.000 1.430 103 M HN 0.049 nan 8.290 nan 0.000 0.462 104 Q N 0.649 120.459 119.800 0.016 0.000 2.119 104 Q HA 0.050 4.392 4.340 0.004 0.000 0.201 104 Q C 0.147 176.147 176.000 -0.001 0.000 0.972 104 Q CA 0.968 56.776 55.803 0.008 0.000 0.847 104 Q CB -0.159 28.582 28.738 0.004 0.000 0.903 104 Q HN 0.555 nan 8.270 nan 0.000 0.433 105 V N 3.317 123.232 119.914 0.001 0.000 2.481 105 V HA 0.072 4.194 4.120 0.004 0.000 0.286 105 V C 0.458 176.557 176.094 0.008 0.000 1.042 105 V CA -0.845 61.454 62.300 -0.002 0.000 0.928 105 V CB 1.535 33.376 31.823 0.029 0.000 0.986 105 V HN 0.250 nan 8.190 nan 0.000 0.462 106 E N 4.517 124.634 120.200 -0.139 0.000 2.404 106 E HA 0.217 4.569 4.350 0.004 0.000 0.261 106 E C -0.934 175.813 176.600 0.244 0.000 1.074 106 E CA -0.126 56.147 56.400 -0.211 0.000 0.917 106 E CB 1.047 30.193 29.700 -0.925 0.000 0.965 106 E HN 0.502 nan 8.360 nan 0.000 0.433 107 F N -0.592 119.559 119.950 0.335 0.000 2.620 107 F HA 0.647 5.177 4.527 0.004 0.000 0.320 107 F C -1.229 174.661 175.800 0.150 0.000 1.069 107 F CA -2.038 56.179 58.000 0.362 0.000 0.953 107 F CB 0.902 40.127 39.000 0.374 0.000 1.322 107 F HN 0.283 nan 8.300 nan 0.000 0.479 108 F N 3.412 123.256 119.950 -0.176 0.000 2.371 108 F HA 0.557 5.086 4.527 0.004 0.000 0.363 108 F C -0.790 174.936 175.800 -0.123 0.000 1.122 108 F CA -1.243 56.358 58.000 -0.665 0.000 1.129 108 F CB 1.030 39.285 39.000 -1.242 0.000 1.173 108 F HN 0.583 nan 8.300 nan 0.000 0.489 109 L N 7.838 128.780 121.223 -0.468 0.000 2.313 109 L HA 0.295 4.637 4.340 0.004 0.000 0.282 109 L C 0.743 177.224 176.870 -0.648 0.000 1.092 109 L CA 0.254 54.896 54.840 -0.329 0.000 0.831 109 L CB 0.482 42.405 42.059 -0.227 0.000 1.159 109 L HN 0.577 nan 8.230 nan 0.000 0.442 110 K N 2.381 122.561 120.400 -0.366 0.000 2.063 110 K HA 0.247 4.569 4.320 0.004 0.000 0.204 110 K C 0.282 176.771 176.600 -0.185 0.000 1.039 110 K CA 1.024 57.148 56.287 -0.272 0.000 0.957 110 K CB -0.047 32.400 32.500 -0.089 0.000 0.764 110 K HN 0.785 nan 8.250 nan 0.000 0.447 111 S N -0.421 115.201 115.700 -0.131 0.000 2.587 111 S HA 0.525 4.997 4.470 0.004 0.000 0.269 111 S C -1.547 173.004 174.600 -0.083 0.000 1.154 111 S CA -1.135 57.031 58.200 -0.056 0.000 0.824 111 S CB 1.375 64.574 63.200 -0.002 0.000 1.118 111 S HN 0.038 nan 8.310 nan 0.000 0.462 112 L N 1.089 122.283 121.223 -0.048 0.000 2.365 112 L HA 0.869 5.211 4.340 0.004 0.000 0.273 112 L C -0.950 175.929 176.870 0.014 0.000 1.000 112 L CA 0.229 54.952 54.840 -0.195 0.000 0.819 112 L CB 2.073 43.689 42.059 -0.739 0.000 1.284 112 L HN 0.959 nan 8.230 nan 0.000 0.418 113 T N 5.876 120.406 114.554 -0.039 0.000 2.841 113 T HA 0.589 4.941 4.350 0.004 0.000 0.285 113 T C -0.650 174.036 174.700 -0.022 0.000 0.991 113 T CA -0.342 61.758 62.100 0.001 0.000 0.966 113 T CB 1.093 69.935 68.868 -0.044 0.000 0.962 113 T HN 0.455 nan 8.240 nan 0.000 0.438 114 L N 3.046 124.275 121.223 0.009 0.000 2.305 114 L HA 0.540 4.882 4.340 0.004 0.000 0.284 114 L C 0.235 177.090 176.870 -0.025 0.000 1.013 114 L CA -0.819 54.011 54.840 -0.017 0.000 0.819 114 L CB 1.674 43.720 42.059 -0.022 0.000 1.227 114 L HN 0.566 nan 8.230 nan 0.000 0.417 115 E N 2.105 122.290 120.200 -0.025 0.000 2.248 115 E HA 0.714 5.066 4.350 0.004 0.000 0.272 115 E C 0.108 176.709 176.600 0.003 0.000 1.008 115 E CA 0.017 56.406 56.400 -0.018 0.000 0.856 115 E CB 1.741 31.428 29.700 -0.021 0.000 1.120 115 E HN 0.720 nan 8.360 nan 0.000 0.397 122 T N 1.651 116.182 114.554 -0.038 0.000 2.897 122 T HA 0.106 4.458 4.350 0.004 0.000 0.304 122 T C 0.734 175.381 174.700 -0.087 0.000 1.051 122 T CA 0.776 62.839 62.100 -0.061 0.000 1.132 122 T CB 0.147 68.963 68.868 -0.086 0.000 1.066 122 T HN 0.386 nan 8.240 nan 0.000 0.518 123 I N 3.286 123.804 120.570 -0.086 0.000 2.378 123 I HA 0.416 4.588 4.170 0.004 0.000 0.291 123 I C 0.550 176.560 176.117 -0.178 0.000 0.992 123 I CA -0.660 60.543 61.300 -0.162 0.000 1.154 123 I CB 1.316 39.245 38.000 -0.119 0.000 1.315 123 I HN 0.381 nan 8.210 nan 0.000 0.448 124 R N 5.480 125.767 120.500 -0.355 0.000 2.514 124 R HA 0.652 4.994 4.340 0.004 0.000 0.301 124 R C -1.588 174.482 176.300 -0.383 0.000 0.962 124 R CA -0.707 55.246 56.100 -0.245 0.000 0.882 124 R CB 1.957 32.089 30.300 -0.280 0.000 1.143 124 R HN 0.344 nan 8.270 nan 0.000 0.452 125 F N 1.331 121.244 119.950 -0.062 0.000 2.499 125 F HA 0.313 4.842 4.527 0.004 0.000 0.333 125 F C -0.132 175.680 175.800 0.021 0.000 1.138 125 F CA -0.952 57.067 58.000 0.031 0.000 0.945 125 F CB 1.823 40.934 39.000 0.186 0.000 1.181 125 F HN 0.061 nan 8.300 nan 0.000 0.435 126 V N 3.363 123.380 119.914 0.171 0.000 2.350 126 V HA 0.170 4.293 4.120 0.004 0.000 0.276 126 V C 0.012 176.174 176.094 0.112 0.000 1.028 126 V CA -0.179 62.196 62.300 0.125 0.000 0.860 126 V CB 0.800 32.708 31.823 0.142 0.000 0.990 126 V HN 1.103 nan 8.190 nan 0.000 0.453 127 C N 2.218 121.501 119.300 -0.027 0.000 2.426 127 C HA 0.187 4.649 4.460 0.004 0.000 0.318 127 C C 1.204 176.111 174.990 -0.139 0.000 1.451 127 C CA -0.458 58.449 59.018 -0.185 0.000 2.090 127 C CB -0.529 26.771 27.740 -0.734 0.000 2.151 127 C HN 0.915 nan 8.230 nan 0.000 0.608 128 N N 1.728 120.232 118.700 -0.326 0.000 2.686 128 N HA -0.159 4.583 4.740 0.004 0.000 0.261 128 N C -0.475 174.800 175.510 -0.393 0.000 1.001 128 N CA 1.254 54.044 53.050 -0.434 0.000 0.764 128 N CB -0.797 37.730 38.487 0.066 0.000 0.898 128 N HN 0.640 nan 8.380 nan 0.000 0.544 129 S N -0.689 114.570 115.700 -0.736 0.000 2.546 129 S HA 0.524 4.996 4.470 0.004 0.000 0.272 129 S C -0.913 173.597 174.600 -0.150 0.000 1.140 129 S CA -0.805 57.335 58.200 -0.100 0.000 0.920 129 S CB 0.732 64.123 63.200 0.318 0.000 1.083 129 S HN 0.300 nan 8.310 nan 0.000 0.476 130 W N 3.028 124.541 121.300 0.354 0.000 2.253 130 W HA 0.444 5.107 4.660 0.004 0.000 0.322 130 W C -0.245 176.412 176.519 0.231 0.000 1.342 130 W CA -0.345 57.195 57.345 0.325 0.000 1.218 130 W CB 0.731 30.455 29.460 0.439 0.000 1.205 130 W HN 0.347 nan 8.180 nan 0.000 0.551 131 V N 5.877 125.873 119.914 0.136 0.000 2.326 131 V HA 0.191 4.313 4.120 0.004 0.000 0.281 131 V C -0.278 175.787 176.094 -0.048 0.000 1.015 131 V CA -1.209 61.112 62.300 0.034 0.000 0.823 131 V CB -0.457 31.153 31.823 -0.355 0.000 1.009 131 V HN 0.339 nan 8.190 nan 0.000 0.436 132 Y N 2.174 122.560 120.300 0.144 0.000 2.289 132 Y HA 0.182 4.734 4.550 0.004 0.000 0.332 132 Y C 1.333 177.135 175.900 -0.163 0.000 1.324 132 Y CA -0.299 57.738 58.100 -0.105 0.000 1.478 132 Y CB 0.411 38.668 38.460 -0.337 0.000 1.378 132 Y HN 0.600 nan 8.280 nan 0.000 0.558 133 N N 0.450 119.119 118.700 -0.052 0.000 2.356 133 N HA -0.154 4.588 4.740 0.004 0.000 0.252 133 N C 1.151 176.581 175.510 -0.134 0.000 1.241 133 N CA 0.746 53.750 53.050 -0.077 0.000 0.861 133 N CB 0.997 39.443 38.487 -0.068 0.000 1.075 133 N HN 0.853 nan 8.380 nan 0.000 0.461 134 T N 3.289 117.796 114.554 -0.079 0.000 2.778 134 T HA -0.135 4.217 4.350 0.004 0.000 0.269 134 T C 1.453 176.128 174.700 -0.043 0.000 1.050 134 T CA 1.479 63.556 62.100 -0.038 0.000 1.137 134 T CB 0.015 68.760 68.868 -0.205 0.000 0.860 134 T HN 0.574 nan 8.240 nan 0.000 0.468 135 K N 0.229 120.581 120.400 -0.080 0.000 2.362 135 K HA 0.106 4.428 4.320 0.004 0.000 0.200 135 K C 1.927 178.430 176.600 -0.162 0.000 1.046 135 K CA 0.639 56.880 56.287 -0.077 0.000 0.952 135 K CB -0.093 32.377 32.500 -0.050 0.000 0.753 135 K HN 0.411 nan 8.250 nan 0.000 0.466 136 L N -0.008 121.010 121.223 -0.341 0.000 2.492 136 L HA 0.005 4.347 4.340 0.004 0.000 0.223 136 L C 0.094 176.700 176.870 -0.440 0.000 1.132 136 L CA 0.177 54.665 54.840 -0.587 0.000 0.850 136 L CB -0.003 41.367 42.059 -1.147 0.000 0.966 136 L HN 0.031 nan 8.230 nan 0.000 0.454 137 Y N -0.044 120.178 120.300 -0.129 0.000 2.330 137 Y HA 0.141 4.693 4.550 0.004 0.000 0.336 137 Y C 1.223 177.100 175.900 -0.039 0.000 1.036 137 Y CA -1.069 56.996 58.100 -0.059 0.000 1.125 137 Y CB 1.201 39.631 38.460 -0.050 0.000 1.194 137 Y HN -0.148 nan 8.280 nan 0.000 0.469 138 K N 1.459 121.958 120.400 0.165 0.000 2.057 138 K HA -0.051 4.272 4.320 0.004 0.000 0.206 138 K C 0.118 176.749 176.600 0.052 0.000 1.050 138 K CA 1.307 57.644 56.287 0.082 0.000 0.935 138 K CB 0.128 32.669 32.500 0.069 0.000 0.715 138 K HN 0.675 nan 8.250 nan 0.000 0.439 139 S N -0.575 115.150 115.700 0.042 0.000 2.599 139 S HA 0.404 4.876 4.470 0.004 0.000 0.287 139 S C -0.425 174.121 174.600 -0.090 0.000 1.105 139 S CA -1.161 57.026 58.200 -0.022 0.000 0.899 139 S CB 2.004 65.197 63.200 -0.013 0.000 1.100 139 S HN -0.081 nan 8.310 nan 0.000 0.482 140 V N 3.211 123.032 119.914 -0.156 0.000 2.655 140 V HA 0.247 4.369 4.120 0.004 0.000 0.300 140 V C 0.769 176.742 176.094 -0.203 0.000 1.044 140 V CA -0.464 61.710 62.300 -0.209 0.000 1.095 140 V CB -0.179 31.421 31.823 -0.371 0.000 0.952 140 V HN 0.781 nan 8.190 nan 0.000 0.485 141 R N 3.807 124.114 120.500 -0.322 0.000 2.502 141 R HA 0.255 4.597 4.340 0.004 0.000 0.292 141 R C -0.339 175.749 176.300 -0.353 0.000 0.998 141 R CA 0.236 56.078 56.100 -0.431 0.000 1.056 141 R CB -0.197 29.863 30.300 -0.400 0.000 0.939 141 R HN 0.715 nan 8.270 nan 0.000 0.411 142 I N 3.453 123.643 120.570 -0.634 0.000 2.509 142 I HA 0.438 4.610 4.170 0.004 0.000 0.293 142 I C -1.204 174.178 176.117 -1.224 0.000 1.020 142 I CA -0.881 59.937 61.300 -0.802 0.000 1.088 142 I CB 0.997 38.590 38.000 -0.679 0.000 1.267 142 I HN 0.307 nan 8.210 nan 0.000 0.430 143 F N 6.254 125.627 119.950 -0.963 0.000 2.551 143 F HA 0.521 5.050 4.527 0.004 0.000 0.316 143 F C -0.711 174.718 175.800 -0.619 0.000 1.089 143 F CA -0.481 57.075 58.000 -0.739 0.000 0.915 143 F CB 1.708 40.183 39.000 -0.876 0.000 1.186 143 F HN 0.163 nan 8.300 nan 0.000 0.456 144 F N 1.412 121.420 119.950 0.097 0.000 2.425 144 F HA 0.703 5.232 4.527 0.004 0.000 0.331 144 F C 0.649 176.506 175.800 0.096 0.000 1.085 144 F CA -0.983 57.080 58.000 0.105 0.000 1.028 144 F CB 1.133 40.140 39.000 0.013 0.000 1.177 144 F HN 0.598 nan 8.300 nan 0.000 0.487 145 A N 1.680 124.462 122.820 -0.064 0.000 2.429 145 A HA 0.077 4.399 4.320 0.004 0.000 0.242 145 A C 0.968 178.314 177.584 -0.396 0.000 1.088 145 A CA -0.232 51.339 52.037 -0.777 0.000 0.784 145 A CB -0.031 18.396 19.000 -0.954 0.000 1.038 145 A HN 0.847 nan 8.150 nan 0.000 0.501 146 N N 0.492 118.872 118.700 -0.533 0.000 2.421 146 N HA -0.042 4.700 4.740 0.004 0.000 0.201 146 N C -0.059 175.234 175.510 -0.362 0.000 1.198 146 N CA 0.107 52.961 53.050 -0.326 0.000 0.838 146 N CB -0.480 37.860 38.487 -0.246 0.000 1.011 146 N HN 0.603 nan 8.380 nan 0.000 0.463 147 H N 0.168 119.085 119.070 -0.255 0.000 2.679 147 H HA 0.225 4.783 4.556 0.004 0.000 0.369 147 H C -0.017 174.959 175.328 -0.587 0.000 1.178 147 H CA 0.241 56.036 56.048 -0.422 0.000 1.419 147 H CB 0.694 30.177 29.762 -0.464 0.000 1.458 147 H HN -0.000 nan 8.280 nan 0.000 0.605 148 T N 3.213 117.432 114.554 -0.559 0.000 2.792 148 T HA 0.439 4.791 4.350 0.004 0.000 0.280 148 T C -0.885 173.396 174.700 -0.698 0.000 0.990 148 T CA -0.558 61.238 62.100 -0.507 0.000 0.960 148 T CB 0.227 68.915 68.868 -0.299 0.000 0.939 148 T HN 0.324 nan 8.240 nan 0.000 0.439 149 Y N 1.262 121.454 120.300 -0.180 0.000 2.396 149 Y HA 0.468 5.021 4.550 0.004 0.000 0.332 149 Y C 0.272 175.976 175.900 -0.327 0.000 1.034 149 Y CA -1.585 56.397 58.100 -0.197 0.000 1.057 149 Y CB 0.881 39.254 38.460 -0.146 0.000 1.220 149 Y HN 0.553 nan 8.280 nan 0.000 0.440 150 V N 0.987 120.767 119.914 -0.223 0.000 3.139 150 V HA 0.168 4.290 4.120 0.004 0.000 0.307 150 V C -2.113 173.926 176.094 -0.091 0.000 1.095 150 V CA -1.200 60.918 62.300 -0.303 0.000 1.160 150 V CB 0.829 32.465 31.823 -0.312 0.000 1.003 150 V HN 0.593 nan 8.190 nan 0.000 0.489 151 P HA -0.138 nan 4.420 nan 0.000 0.216 151 P C 1.900 179.183 177.300 -0.027 0.000 1.150 151 P CA 2.172 65.273 63.100 0.002 0.000 0.843 151 P CB -0.084 31.649 31.700 0.055 0.000 0.787 152 S N -1.475 114.213 115.700 -0.019 0.000 2.547 152 S HA -0.067 4.405 4.470 0.004 0.000 0.235 152 S C 1.473 176.038 174.600 -0.059 0.000 0.980 152 S CA 0.839 59.021 58.200 -0.030 0.000 0.941 152 S CB -0.716 62.477 63.200 -0.010 0.000 0.763 152 S HN 0.111 nan 8.310 nan 0.000 0.532 153 E N 1.241 121.400 120.200 -0.068 0.000 2.498 153 E HA 0.135 4.487 4.350 0.004 0.000 0.203 153 E C -0.197 176.229 176.600 -0.290 0.000 1.013 153 E CA 0.094 56.443 56.400 -0.084 0.000 0.927 153 E CB 0.285 30.010 29.700 0.041 0.000 1.012 153 E HN 0.450 nan 8.360 nan 0.000 0.482 154 T N 4.163 118.535 114.554 -0.303 0.000 2.871 154 T HA 0.077 4.429 4.350 0.004 0.000 0.296 154 T C -2.394 172.038 174.700 -0.447 0.000 0.998 154 T CA -0.762 61.035 62.100 -0.504 0.000 1.162 154 T CB 0.386 69.111 68.868 -0.239 0.000 0.947 154 T HN -0.086 nan 8.240 nan 0.000 0.536 155 P HA 0.124 nan 4.420 nan 0.000 0.264 155 P C 0.626 177.835 177.300 -0.151 0.000 1.193 155 P CA -0.100 62.826 63.100 -0.290 0.000 0.763 155 P CB 0.369 31.931 31.700 -0.229 0.000 0.810 156 A N 6.780 129.539 122.820 -0.102 0.000 1.927 156 A HA -0.155 4.167 4.320 0.004 0.000 0.220 156 A C -0.468 177.094 177.584 -0.036 0.000 1.185 156 A CA 1.874 53.871 52.037 -0.066 0.000 0.639 156 A CB -2.319 16.652 19.000 -0.049 0.000 0.820 156 A HN 0.486 nan 8.150 nan 0.000 0.451 157 P HA 0.004 nan 4.420 nan 0.000 0.239 157 P C 0.717 178.081 177.300 0.107 0.000 1.184 157 P CA 0.701 63.827 63.100 0.043 0.000 0.760 157 P CB 0.028 31.782 31.700 0.091 0.000 0.884 158 L N -2.772 118.518 121.223 0.110 0.000 2.766 158 L HA 0.089 4.431 4.340 0.004 0.000 0.242 158 L C 1.881 178.828 176.870 0.128 0.000 1.136 158 L CA 0.024 55.019 54.840 0.257 0.000 0.933 158 L CB -0.137 42.077 42.059 0.258 0.000 1.241 158 L HN -0.190 nan 8.230 nan 0.000 0.522 159 V N 0.550 120.463 119.914 -0.002 0.000 2.261 159 V HA -0.303 3.819 4.120 0.004 0.000 0.246 159 V C 2.451 178.531 176.094 -0.023 0.000 1.047 159 V CA 2.210 64.491 62.300 -0.030 0.000 1.015 159 V CB -0.215 31.577 31.823 -0.052 0.000 0.642 159 V HN 0.495 nan 8.190 nan 0.000 0.446 160 E N -1.002 119.147 120.200 -0.084 0.000 2.077 160 E HA -0.233 4.119 4.350 0.004 0.000 0.193 160 E C 2.227 178.817 176.600 -0.018 0.000 0.989 160 E CA 1.510 57.851 56.400 -0.099 0.000 0.800 160 E CB -0.159 29.429 29.700 -0.186 0.000 0.746 160 E HN 0.693 nan 8.360 nan 0.000 0.452 161 Y N 0.678 121.039 120.300 0.102 0.000 2.165 161 Y HA -0.196 4.356 4.550 0.004 0.000 0.286 161 Y C 2.510 178.544 175.900 0.224 0.000 1.155 161 Y CA 1.576 59.771 58.100 0.158 0.000 1.164 161 Y CB -0.669 37.903 38.460 0.185 0.000 0.978 161 Y HN 0.042 nan 8.280 nan 0.000 0.513 162 R N 0.378 121.069 120.500 0.317 0.000 2.073 162 R HA -0.225 4.117 4.340 0.004 0.000 0.234 162 R C 2.154 178.487 176.300 0.055 0.000 1.134 162 R CA 1.947 58.095 56.100 0.079 0.000 0.952 162 R CB -0.187 30.056 30.300 -0.095 0.000 0.850 162 R HN 0.226 nan 8.270 nan 0.000 0.433 163 E N 0.587 120.816 120.200 0.048 0.000 2.072 163 E HA -0.154 4.198 4.350 0.004 0.000 0.190 163 E C 1.733 178.361 176.600 0.046 0.000 0.982 163 E CA 1.408 57.823 56.400 0.026 0.000 0.803 163 E CB -0.017 29.688 29.700 0.008 0.000 0.755 163 E HN 0.291 nan 8.360 nan 0.000 0.453 164 E N 0.392 120.639 120.200 0.078 0.000 2.118 164 E HA -0.214 4.138 4.350 0.004 0.000 0.195 164 E C 1.963 178.613 176.600 0.084 0.000 0.992 164 E CA 1.395 57.845 56.400 0.083 0.000 0.804 164 E CB -0.206 29.564 29.700 0.117 0.000 0.741 164 E HN 0.346 nan 8.360 nan 0.000 0.458 165 E N 0.941 121.208 120.200 0.111 0.000 2.072 165 E HA -0.095 4.258 4.350 0.004 0.000 0.191 165 E C 2.191 178.820 176.600 0.048 0.000 0.985 165 E CA 0.675 57.127 56.400 0.086 0.000 0.801 165 E CB -0.297 29.493 29.700 0.149 0.000 0.750 165 E HN 0.185 nan 8.360 nan 0.000 0.452 166 L N 0.482 121.722 121.223 0.027 0.000 2.042 166 L HA -0.181 4.161 4.340 0.004 0.000 0.210 166 L C 2.719 179.585 176.870 -0.008 0.000 1.076 166 L CA 1.735 56.570 54.840 -0.008 0.000 0.749 166 L CB -0.540 41.500 42.059 -0.033 0.000 0.893 166 L HN 0.153 nan 8.230 nan 0.000 0.432 167 K N -0.275 120.131 120.400 0.009 0.000 2.063 167 K HA -0.233 4.089 4.320 0.004 0.000 0.208 167 K C 2.417 179.033 176.600 0.028 0.000 1.048 167 K CA 1.755 58.052 56.287 0.016 0.000 0.928 167 K CB -0.104 32.411 32.500 0.026 0.000 0.713 167 K HN 0.133 nan 8.250 nan 0.000 0.442 168 S N 0.550 116.272 115.700 0.037 0.000 2.368 168 S HA -0.081 4.391 4.470 0.004 0.000 0.225 168 S C 1.880 176.520 174.600 0.066 0.000 1.030 168 S CA 1.008 59.235 58.200 0.045 0.000 0.999 168 S CB -0.189 63.033 63.200 0.037 0.000 0.844 168 S HN 0.354 nan 8.310 nan 0.000 0.459 169 L N 0.589 121.858 121.223 0.078 0.000 2.201 169 L HA 0.029 4.371 4.340 0.004 0.000 0.212 169 L C 2.801 179.757 176.870 0.143 0.000 1.105 169 L CA 0.976 55.904 54.840 0.146 0.000 0.775 169 L CB -0.288 41.849 42.059 0.131 0.000 0.913 169 L HN 0.251 nan 8.230 nan 0.000 0.440 170 R N -0.347 120.190 120.500 0.061 0.000 2.161 170 R HA 0.115 4.458 4.340 0.004 0.000 0.213 170 R C 1.223 177.548 176.300 0.041 0.000 1.055 170 R CA 0.497 56.621 56.100 0.039 0.000 0.996 170 R CB -0.101 30.195 30.300 -0.007 0.000 0.901 170 R HN 0.413 nan 8.270 nan 0.000 0.456 171 G N 1.660 110.482 108.800 0.037 0.000 2.601 171 G HA2 -0.365 3.597 3.960 0.004 0.000 0.261 171 G HA3 -0.365 3.597 3.960 0.004 0.000 0.261 171 G C -0.048 174.861 174.900 0.015 0.000 1.289 171 G CA 0.315 45.426 45.100 0.018 0.000 0.920 171 G HN 0.530 nan 8.290 nan 0.000 0.571 172 N N -0.139 118.562 118.700 0.001 0.000 2.197 172 N HA 0.475 5.217 4.740 0.004 0.000 0.228 172 N C 1.507 177.017 175.510 0.001 0.000 1.212 172 N CA 1.189 54.243 53.050 0.005 0.000 0.883 172 N CB 0.734 39.222 38.487 0.001 0.000 1.107 172 N HN 2.418 nan 8.380 nan 0.000 0.519 173 G N -0.491 108.305 108.800 -0.007 0.000 2.176 173 G HA2 -0.263 3.699 3.960 0.004 0.000 0.253 173 G HA3 -0.263 3.699 3.960 0.004 0.000 0.253 173 G C 0.069 174.951 174.900 -0.031 0.000 0.979 173 G CA 0.651 45.746 45.100 -0.007 0.000 0.641 173 G HN 0.959 nan 8.290 nan 0.000 0.530 174 T N -2.525 112.002 114.554 -0.045 0.000 2.901 174 T HA 0.921 5.273 4.350 0.004 0.000 0.293 174 T C 0.368 175.016 174.700 -0.087 0.000 1.084 174 T CA 0.342 62.407 62.100 -0.059 0.000 1.008 174 T CB 2.402 71.244 68.868 -0.044 0.000 1.170 174 T HN 2.361 nan 8.240 nan 0.000 0.509 175 G N 0.520 109.260 108.800 -0.100 0.000 2.650 175 G HA2 0.053 4.015 3.960 0.004 0.000 0.686 175 G HA3 0.053 4.015 3.960 0.004 0.000 0.686 175 G C -0.776 174.017 174.900 -0.178 0.000 1.205 175 G CA -0.535 44.490 45.100 -0.125 0.000 0.781 175 G HN 1.076 nan 8.290 nan 0.000 0.648 176 E N 1.031 121.120 120.200 -0.185 0.000 2.257 176 E HA 0.310 4.662 4.350 0.004 0.000 0.278 176 E C 0.705 177.103 176.600 -0.337 0.000 1.049 176 E CA -0.684 55.575 56.400 -0.236 0.000 0.876 176 E CB 0.374 29.962 29.700 -0.186 0.000 1.035 176 E HN 0.405 nan 8.360 nan 0.000 0.419 177 R N 3.773 123.971 120.500 -0.504 0.000 2.438 177 R HA 0.212 4.555 4.340 0.004 0.000 0.287 177 R C -0.060 175.837 176.300 -0.671 0.000 1.077 177 R CA -0.249 55.355 56.100 -0.827 0.000 1.034 177 R CB 0.637 29.889 30.300 -1.747 0.000 0.993 177 R HN 0.412 nan 8.270 nan 0.000 0.459 178 K N 1.696 121.715 120.400 -0.635 0.000 2.185 178 K HA 0.120 4.442 4.320 0.004 0.000 0.240 178 K C 0.997 177.289 176.600 -0.513 0.000 0.983 178 K CA -0.681 55.252 56.287 -0.590 0.000 0.873 178 K CB 1.238 33.205 32.500 -0.888 0.000 1.118 178 K HN 0.559 nan 8.250 nan 0.000 0.441 179 E N 0.742 120.676 120.200 -0.444 0.000 2.097 179 E HA -0.236 4.116 4.350 0.004 0.000 0.196 179 E C 1.026 177.421 176.600 -0.341 0.000 1.000 179 E CA 1.853 58.105 56.400 -0.245 0.000 0.804 179 E CB -0.033 29.576 29.700 -0.152 0.000 0.740 179 E HN 0.581 nan 8.360 nan 0.000 0.454 180 Y N -0.097 119.945 120.300 -0.431 0.000 2.490 180 Y HA 0.274 4.827 4.550 0.004 0.000 0.281 180 Y C 0.130 175.907 175.900 -0.205 0.000 1.174 180 Y CA -0.556 57.125 58.100 -0.700 0.000 1.295 180 Y CB -0.309 37.342 38.460 -1.348 0.000 1.062 180 Y HN -0.240 nan 8.280 nan 0.000 0.522 181 D N 2.109 122.368 120.400 -0.236 0.000 2.423 181 D HA 0.106 4.748 4.640 0.004 0.000 0.238 181 D C 0.011 176.394 176.300 0.138 0.000 1.142 181 D CA 0.204 54.208 54.000 0.006 0.000 0.884 181 D CB 0.673 41.389 40.800 -0.141 0.000 1.199 181 D HN 0.354 nan 8.370 nan 0.000 0.438 182 R N 1.532 122.118 120.500 0.143 0.000 2.989 182 R HA 0.378 4.720 4.340 0.004 0.000 0.340 182 R C -0.508 175.865 176.300 0.123 0.000 1.205 182 R CA -0.277 55.896 56.100 0.122 0.000 1.235 182 R CB 0.267 30.684 30.300 0.194 0.000 1.394 182 R HN 0.295 nan 8.270 nan 0.000 0.598 183 I N 1.244 121.848 120.570 0.057 0.000 2.355 183 I HA 0.282 4.454 4.170 0.004 0.000 0.288 183 I C -0.753 175.345 176.117 -0.031 0.000 0.999 183 I CA -0.905 60.435 61.300 0.066 0.000 1.163 183 I CB 1.075 39.076 38.000 0.002 0.000 1.316 183 I HN 0.127 nan 8.210 nan 0.000 0.454 184 Y N 4.854 125.159 120.300 0.007 0.000 2.335 184 Y HA 0.524 5.077 4.550 0.004 0.000 0.339 184 Y C 0.057 175.867 175.900 -0.149 0.000 0.987 184 Y CA -0.283 57.779 58.100 -0.063 0.000 1.140 184 Y CB 0.959 39.391 38.460 -0.048 0.000 1.173 184 Y HN 0.476 nan 8.280 nan 0.000 0.486 185 D N 0.864 121.192 120.400 -0.121 0.000 2.692 185 D HA 0.313 4.956 4.640 0.004 0.000 0.303 185 D C -1.778 174.322 176.300 -0.334 0.000 1.278 185 D CA -0.828 53.025 54.000 -0.245 0.000 0.852 185 D CB 1.288 42.052 40.800 -0.061 0.000 1.375 185 D HN 0.283 nan 8.370 nan 0.000 0.453 186 Y N 0.318 120.614 120.300 -0.006 0.000 2.446 186 Y HA 0.563 5.115 4.550 0.004 0.000 0.338 186 Y C 0.277 176.143 175.900 -0.057 0.000 1.055 186 Y CA -0.528 57.546 58.100 -0.044 0.000 1.101 186 Y CB 1.760 40.185 38.460 -0.057 0.000 1.221 186 Y HN 0.116 nan 8.280 nan 0.000 0.460 187 D N 0.006 120.451 120.400 0.075 0.000 2.596 187 D HA 0.426 5.068 4.640 0.004 0.000 0.262 187 D C -1.159 175.140 176.300 -0.002 0.000 1.210 187 D CA -0.472 53.535 54.000 0.012 0.000 0.873 187 D CB 2.397 43.168 40.800 -0.048 0.000 1.408 187 D HN 0.351 nan 8.370 nan 0.000 0.441 188 V N -0.206 119.716 119.914 0.013 0.000 3.214 188 V HA 0.384 4.506 4.120 0.004 0.000 0.306 188 V C -0.034 176.086 176.094 0.042 0.000 1.078 188 V CA -0.199 62.148 62.300 0.078 0.000 1.077 188 V CB 0.328 32.201 31.823 0.083 0.000 1.121 188 V HN 0.460 nan 8.190 nan 0.000 0.468 189 Y N 3.041 123.350 120.300 0.015 0.000 2.636 189 Y HA 0.293 4.845 4.550 0.004 0.000 0.334 189 Y C 1.200 177.054 175.900 -0.075 0.000 1.286 189 Y CA -0.430 57.659 58.100 -0.018 0.000 1.688 189 Y CB -0.489 37.942 38.460 -0.049 0.000 1.662 189 Y HN 0.854 nan 8.280 nan 0.000 0.465 190 N N -0.240 118.472 118.700 0.020 0.000 2.235 190 N HA -0.016 4.726 4.740 0.004 0.000 0.231 190 N C -0.104 175.384 175.510 -0.037 0.000 1.177 190 N CA 0.037 53.076 53.050 -0.019 0.000 0.874 190 N CB 0.086 38.557 38.487 -0.028 0.000 1.097 190 N HN 0.466 nan 8.380 nan 0.000 0.518 191 D N -0.229 120.157 120.400 -0.023 0.000 2.479 191 D HA 0.113 4.755 4.640 0.004 0.000 0.218 191 D C 1.127 177.465 176.300 0.063 0.000 1.177 191 D CA -0.294 53.691 54.000 -0.024 0.000 0.830 191 D CB -0.168 40.570 40.800 -0.105 0.000 1.014 191 D HN 0.192 nan 8.370 nan 0.000 0.503 192 L N 0.065 121.311 121.223 0.037 0.000 2.253 192 L HA 0.286 4.629 4.340 0.004 0.000 0.205 192 L C 1.613 178.471 176.870 -0.020 0.000 1.078 192 L CA 0.426 55.277 54.840 0.018 0.000 0.805 192 L CB -0.376 41.668 42.059 -0.025 0.000 0.963 192 L HN 0.044 nan 8.230 nan 0.000 0.459 193 G N -0.044 108.733 108.800 -0.039 0.000 2.569 193 G HA2 0.032 3.994 3.960 0.004 0.000 0.249 193 G HA3 0.032 3.994 3.960 0.004 0.000 0.249 193 G C -0.284 174.600 174.900 -0.026 0.000 1.216 193 G CA -0.090 44.981 45.100 -0.048 0.000 0.845 193 G HN 0.133 nan 8.290 nan 0.000 0.568 194 N N 0.846 119.527 118.700 -0.031 0.000 2.723 194 N HA 0.273 5.015 4.740 0.004 0.000 0.290 194 N C -1.499 173.995 175.510 -0.025 0.000 1.882 194 N CA -1.845 51.193 53.050 -0.020 0.000 0.851 194 N CB 1.613 40.091 38.487 -0.015 0.000 1.234 194 N HN 0.159 nan 8.380 nan 0.000 0.491 195 P HA -0.005 nan 4.420 nan 0.000 0.223 195 P C 0.276 177.563 177.300 -0.022 0.000 1.151 195 P CA 0.819 63.904 63.100 -0.026 0.000 0.787 195 P CB 0.656 32.340 31.700 -0.027 0.000 0.788 196 D N 0.189 120.576 120.400 -0.021 0.000 2.219 196 D HA -0.112 4.530 4.640 0.004 0.000 0.205 196 D C 2.006 178.296 176.300 -0.016 0.000 0.970 196 D CA 1.013 55.002 54.000 -0.018 0.000 0.851 196 D CB -0.280 40.509 40.800 -0.019 0.000 0.943 196 D HN 0.276 nan 8.370 nan 0.000 0.488 197 K N -0.423 119.968 120.400 -0.016 0.000 2.044 197 K HA -0.015 4.308 4.320 0.004 0.000 0.204 197 K C 0.305 176.895 176.600 -0.017 0.000 1.049 197 K CA 0.616 56.894 56.287 -0.016 0.000 0.945 197 K CB 0.323 32.814 32.500 -0.016 0.000 0.724 197 K HN -0.007 nan 8.250 nan 0.000 0.440 198 S N -0.942 114.746 115.700 -0.021 0.000 2.535 198 S HA 0.146 4.618 4.470 0.004 0.000 0.272 198 S C -0.356 174.230 174.600 -0.024 0.000 1.149 198 S CA -0.750 57.438 58.200 -0.021 0.000 0.888 198 S CB 1.633 64.819 63.200 -0.024 0.000 1.110 198 S HN 0.306 nan 8.310 nan 0.000 0.463 199 E N 2.144 122.332 120.200 -0.020 0.000 2.209 199 E HA -0.135 4.217 4.350 0.004 0.000 0.196 199 E C 1.231 177.815 176.600 -0.028 0.000 0.993 199 E CA 0.994 57.381 56.400 -0.021 0.000 0.819 199 E CB -0.009 29.683 29.700 -0.014 0.000 0.745 199 E HN 0.529 nan 8.360 nan 0.000 0.477 200 K N 0.305 120.686 120.400 -0.031 0.000 2.362 200 K HA -0.050 4.272 4.320 0.004 0.000 0.200 200 K C 1.467 178.032 176.600 -0.057 0.000 1.046 200 K CA 0.645 56.907 56.287 -0.042 0.000 0.952 200 K CB 0.124 32.601 32.500 -0.039 0.000 0.753 200 K HN 0.182 nan 8.250 nan 0.000 0.466 201 L N 0.542 121.734 121.223 -0.051 0.000 2.667 201 L HA 0.204 4.546 4.340 0.004 0.000 0.232 201 L C 0.505 177.339 176.870 -0.060 0.000 1.138 201 L CA -0.620 54.184 54.840 -0.059 0.000 0.921 201 L CB 0.269 42.300 42.059 -0.047 0.000 1.180 201 L HN -0.035 nan 8.230 nan 0.000 0.487 202 A N 1.036 123.824 122.820 -0.055 0.000 2.425 202 A HA 0.551 4.873 4.320 0.004 0.000 0.249 202 A C 0.065 177.604 177.584 -0.076 0.000 1.084 202 A CA 0.011 52.015 52.037 -0.054 0.000 0.781 202 A CB 0.276 19.253 19.000 -0.039 0.000 1.019 202 A HN 0.191 nan 8.150 nan 0.000 0.490 203 R N 1.715 122.162 120.500 -0.089 0.000 2.795 203 R HA 0.526 4.868 4.340 0.004 0.000 0.275 203 R C -2.876 173.331 176.300 -0.154 0.000 0.981 203 R CA -1.912 54.110 56.100 -0.129 0.000 0.917 203 R CB 1.115 31.327 30.300 -0.147 0.000 1.202 203 R HN 0.669 nan 8.270 nan 0.000 0.469 204 P HA 0.078 nan 4.420 nan 0.000 0.268 204 P C -0.105 176.992 177.300 -0.338 0.000 1.205 204 P CA -0.304 62.591 63.100 -0.341 0.000 0.771 204 P CB 0.557 31.794 31.700 -0.773 0.000 0.858 205 V N 4.200 123.994 119.914 -0.200 0.000 2.540 205 V HA -0.030 4.092 4.120 0.004 0.000 0.297 205 V C 0.854 176.846 176.094 -0.170 0.000 1.024 205 V CA 0.246 62.473 62.300 -0.122 0.000 1.105 205 V CB -0.262 31.549 31.823 -0.019 0.000 0.938 205 V HN 0.344 nan 8.190 nan 0.000 0.482 206 L N 5.511 126.634 121.223 -0.168 0.000 2.265 206 L HA 0.808 5.150 4.340 0.004 0.000 0.289 206 L C 0.561 177.460 176.870 0.049 0.000 1.033 206 L CA -0.056 54.653 54.840 -0.218 0.000 0.814 206 L CB 1.084 42.713 42.059 -0.718 0.000 1.203 206 L HN 0.945 nan 8.230 nan 0.000 0.423 207 G N 1.279 110.186 108.800 0.178 0.000 2.697 207 G HA2 0.327 4.289 3.960 0.004 0.000 0.684 207 G HA3 0.327 4.289 3.960 0.004 0.000 0.684 207 G C 0.220 175.218 174.900 0.163 0.000 1.274 207 G CA -0.304 44.926 45.100 0.216 0.000 0.806 207 G HN 1.031 nan 8.290 nan 0.000 0.644 208 G N -1.172 107.715 108.800 0.144 0.000 2.141 208 G HA2 0.288 4.250 3.960 0.004 0.000 0.242 208 G HA3 0.288 4.250 3.960 0.004 0.000 0.242 208 G C 0.715 175.677 174.900 0.103 0.000 0.982 208 G CA 1.447 46.605 45.100 0.098 0.000 0.662 208 G HN 2.807 nan 8.290 nan 0.000 0.527 209 S N -1.549 114.234 115.700 0.137 0.000 2.579 209 S HA 0.762 5.235 4.470 0.004 0.000 0.272 209 S C 1.141 175.804 174.600 0.105 0.000 1.141 209 S CA 0.698 58.967 58.200 0.114 0.000 0.843 209 S CB 1.499 64.783 63.200 0.139 0.000 1.122 209 S HN 1.418 nan 8.310 nan 0.000 0.468 210 S N 0.785 116.518 115.700 0.054 0.000 2.428 210 S HA -0.061 4.412 4.470 0.004 0.000 0.230 210 S C 1.505 176.091 174.600 -0.023 0.000 1.014 210 S CA 1.389 59.609 58.200 0.033 0.000 0.957 210 S CB -1.209 62.000 63.200 0.015 0.000 0.784 210 S HN 0.778 nan 8.310 nan 0.000 0.499 211 T N 1.265 115.752 114.554 -0.112 0.000 2.737 211 T HA 0.122 4.474 4.350 0.004 0.000 0.265 211 T C -0.115 174.278 174.700 -0.511 0.000 1.038 211 T CA 0.958 62.824 62.100 -0.391 0.000 1.144 211 T CB -0.350 68.165 68.868 -0.589 0.000 0.866 211 T HN 0.480 nan 8.240 nan 0.000 0.434 212 F N 2.526 122.537 119.950 0.102 0.000 2.550 212 F HA 0.363 4.892 4.527 0.004 0.000 0.348 212 F C -2.485 173.418 175.800 0.170 0.000 1.219 212 F CA -3.396 54.673 58.000 0.116 0.000 1.203 212 F CB 0.924 39.955 39.000 0.052 0.000 1.436 212 F HN -0.082 nan 8.300 nan 0.000 0.541 213 P HA 0.167 nan 4.420 nan 0.000 0.274 213 P C -1.171 176.467 177.300 0.565 0.000 1.231 213 P CA 0.016 63.386 63.100 0.449 0.000 0.790 213 P CB 1.747 33.717 31.700 0.450 0.000 0.951 214 Y N 0.891 121.258 120.300 0.111 0.000 2.573 214 Y HA 0.294 4.846 4.550 0.004 0.000 0.328 214 Y C -2.551 173.028 175.900 -0.536 0.000 1.170 214 Y CA -2.053 55.779 58.100 -0.446 0.000 1.078 214 Y CB 1.632 39.951 38.460 -0.234 0.000 1.341 214 Y HN 0.269 nan 8.280 nan 0.000 0.459 215 P HA 0.140 nan 4.420 nan 0.000 0.268 215 P C -0.598 176.577 177.300 -0.207 0.000 1.208 215 P CA -0.051 62.606 63.100 -0.738 0.000 0.777 215 P CB 0.553 31.703 31.700 -0.916 0.000 0.875 216 R N 2.090 122.473 120.500 -0.195 0.000 2.637 216 R HA 0.410 4.752 4.340 0.004 0.000 0.269 216 R C 0.827 177.152 176.300 0.041 0.000 1.089 216 R CA -0.257 55.850 56.100 0.012 0.000 1.177 216 R CB 0.267 30.576 30.300 0.015 0.000 1.091 216 R HN 0.630 nan 8.270 nan 0.000 0.540 217 R N -1.237 119.249 120.500 -0.023 0.000 2.950 217 R HA 0.593 4.935 4.340 0.004 0.000 0.253 217 R C -0.119 176.122 176.300 -0.098 0.000 1.168 217 R CA -0.793 55.230 56.100 -0.129 0.000 1.014 217 R CB -0.222 29.783 30.300 -0.491 0.000 1.228 217 R HN 0.587 nan 8.270 nan 0.000 0.487 218 G N 0.556 109.293 108.800 -0.104 0.000 2.378 218 G HA2 0.223 4.185 3.960 0.004 0.000 0.255 218 G HA3 0.223 4.185 3.960 0.004 0.000 0.255 218 G C -0.674 174.181 174.900 -0.074 0.000 1.270 218 G CA -0.614 44.428 45.100 -0.095 0.000 0.876 218 G HN 0.567 nan 8.290 nan 0.000 0.521 219 R N 1.008 121.470 120.500 -0.063 0.000 2.489 219 R HA 0.190 4.533 4.340 0.004 0.000 0.287 219 R C 1.372 177.647 176.300 -0.042 0.000 1.053 219 R CA 0.722 56.783 56.100 -0.064 0.000 1.036 219 R CB 0.465 30.726 30.300 -0.065 0.000 0.966 219 R HN 0.627 nan 8.270 nan 0.000 0.432 220 T N 0.167 114.658 114.554 -0.105 0.000 2.999 220 T HA 0.186 4.538 4.350 0.004 0.000 0.247 220 T C 1.241 175.792 174.700 -0.248 0.000 1.012 220 T CA 0.353 62.363 62.100 -0.151 0.000 1.048 220 T CB 0.358 69.130 68.868 -0.160 0.000 1.020 220 T HN 0.746 nan 8.240 nan 0.000 0.478 221 G N 2.375 111.053 108.800 -0.202 0.000 2.221 221 G HA2 -0.311 3.651 3.960 0.004 0.000 0.265 221 G HA3 -0.311 3.651 3.960 0.004 0.000 0.265 221 G C 0.827 175.616 174.900 -0.185 0.000 1.041 221 G CA 0.409 45.398 45.100 -0.185 0.000 0.807 221 G HN 0.558 nan 8.290 nan 0.000 0.502 222 R N 0.101 120.482 120.500 -0.198 0.000 2.237 222 R HA 0.309 4.652 4.340 0.004 0.000 0.219 222 R C 1.785 178.003 176.300 -0.136 0.000 1.080 222 R CA 0.956 56.949 56.100 -0.178 0.000 0.995 222 R CB -0.108 30.066 30.300 -0.210 0.000 0.875 222 R HN 1.658 nan 8.270 nan 0.000 0.462 223 G N 0.912 109.637 108.800 -0.125 0.000 2.710 223 G HA2 -0.180 3.782 3.960 0.004 0.000 0.668 223 G HA3 -0.180 3.782 3.960 0.004 0.000 0.668 223 G C -2.869 171.979 174.900 -0.086 0.000 1.320 223 G CA -0.941 44.102 45.100 -0.095 0.000 0.860 223 G HN 0.004 nan 8.290 nan 0.000 0.538 224 P HA 0.397 nan 4.420 nan 0.000 0.281 224 P C 0.816 178.084 177.300 -0.052 0.000 1.249 224 P CA 0.397 63.463 63.100 -0.057 0.000 0.810 224 P CB 0.905 32.578 31.700 -0.044 0.000 1.008 225 T N -1.826 112.700 114.554 -0.047 0.000 2.734 225 T HA 0.052 4.404 4.350 0.004 0.000 0.314 225 T C 1.524 176.205 174.700 -0.032 0.000 1.057 225 T CA -0.048 62.028 62.100 -0.039 0.000 1.047 225 T CB -0.251 68.596 68.868 -0.034 0.000 0.991 225 T HN 0.300 nan 8.240 nan 0.000 0.540 226 V N -1.081 118.816 119.914 -0.028 0.000 2.719 226 V HA 0.015 4.137 4.120 0.004 0.000 0.252 226 V C 2.400 178.482 176.094 -0.020 0.000 1.065 226 V CA 1.511 63.797 62.300 -0.023 0.000 1.086 226 V CB -1.764 30.046 31.823 -0.021 0.000 0.700 226 V HN 1.106 nan 8.190 nan 0.000 0.467 227 T N -3.121 111.421 114.554 -0.020 0.000 3.057 227 T HA 0.140 4.493 4.350 0.004 0.000 0.254 227 T C 0.440 175.131 174.700 -0.016 0.000 1.094 227 T CA 0.792 62.882 62.100 -0.017 0.000 1.088 227 T CB 0.027 68.885 68.868 -0.016 0.000 0.934 227 T HN 0.537 nan 8.240 nan 0.000 0.497 228 D N 1.095 121.483 120.400 -0.020 0.000 2.602 228 D HA 0.379 5.021 4.640 0.004 0.000 0.245 228 D C -2.542 173.745 176.300 -0.022 0.000 1.325 228 D CA -2.362 51.626 54.000 -0.019 0.000 0.952 228 D CB 2.208 42.996 40.800 -0.020 0.000 1.317 228 D HN -0.180 nan 8.370 nan 0.000 0.577 229 P HA -0.005 nan 4.420 nan 0.000 0.222 229 P C 0.651 177.937 177.300 -0.024 0.000 1.147 229 P CA 0.619 63.706 63.100 -0.022 0.000 0.790 229 P CB 0.347 32.037 31.700 -0.016 0.000 0.780 230 N N -1.689 116.999 118.700 -0.019 0.000 2.412 230 N HA 0.025 4.767 4.740 0.004 0.000 0.184 230 N C 0.218 175.712 175.510 -0.028 0.000 1.101 230 N CA 0.737 53.777 53.050 -0.018 0.000 0.881 230 N CB -0.093 38.390 38.487 -0.006 0.000 0.969 230 N HN 0.122 nan 8.380 nan 0.000 0.459 231 T N 0.689 115.222 114.554 -0.035 0.000 2.824 231 T HA 0.171 4.523 4.350 0.004 0.000 0.280 231 T C -0.076 174.591 174.700 -0.057 0.000 0.995 231 T CA -0.603 61.471 62.100 -0.044 0.000 1.009 231 T CB 2.407 71.251 68.868 -0.040 0.000 0.955 231 T HN 0.027 nan 8.240 nan 0.000 0.452 232 E N 2.821 122.977 120.200 -0.075 0.000 2.316 232 E HA 0.165 4.517 4.350 0.004 0.000 0.275 232 E C 0.284 176.822 176.600 -0.104 0.000 1.029 232 E CA -0.764 55.573 56.400 -0.105 0.000 0.871 232 E CB 0.541 30.151 29.700 -0.150 0.000 1.022 232 E HN 0.535 nan 8.360 nan 0.000 0.418 233 K N 3.847 124.186 120.400 -0.102 0.000 2.440 233 K HA -0.009 4.313 4.320 0.004 0.000 0.270 233 K C -0.058 176.480 176.600 -0.102 0.000 0.980 233 K CA -0.381 55.856 56.287 -0.084 0.000 0.953 233 K CB 0.501 32.955 32.500 -0.075 0.000 0.925 233 K HN 0.367 nan 8.250 nan 0.000 0.497 234 Q N 0.207 119.980 119.800 -0.044 0.000 2.474 234 Q HA 0.220 4.562 4.340 0.004 0.000 0.256 234 Q C 0.215 176.208 176.000 -0.012 0.000 1.048 234 Q CA 0.513 56.323 55.803 0.011 0.000 0.922 234 Q CB 1.209 29.974 28.738 0.045 0.000 1.288 234 Q HN 0.879 nan 8.270 nan 0.000 0.484 235 G N 0.400 109.250 108.800 0.082 0.000 2.696 235 G HA2 0.259 4.221 3.960 0.004 0.000 0.295 235 G HA3 0.259 4.221 3.960 0.004 0.000 0.295 235 G C 0.069 175.081 174.900 0.186 0.000 1.398 235 G CA -0.470 44.669 45.100 0.064 0.000 0.920 235 G HN 0.372 nan 8.290 nan 0.000 0.492 236 E N -0.542 119.719 120.200 0.101 0.000 2.106 236 E HA -0.041 4.311 4.350 0.004 0.000 0.192 236 E C 0.851 177.523 176.600 0.120 0.000 0.984 236 E CA 0.937 57.390 56.400 0.088 0.000 0.806 236 E CB 0.170 29.894 29.700 0.040 0.000 0.750 236 E HN 0.193 nan 8.360 nan 0.000 0.458 237 V N 1.767 121.770 119.914 0.147 0.000 2.531 237 V HA 0.199 4.321 4.120 0.004 0.000 0.301 237 V C -0.729 175.537 176.094 0.286 0.000 1.034 237 V CA -0.691 61.708 62.300 0.165 0.000 0.865 237 V CB 1.337 33.204 31.823 0.074 0.000 0.995 237 V HN -0.085 nan 8.190 nan 0.000 0.424 238 F N 4.695 124.635 119.950 -0.017 0.000 2.390 238 F HA 0.363 4.892 4.527 0.004 0.000 0.361 238 F C 0.206 176.008 175.800 0.005 0.000 1.124 238 F CA -1.172 56.824 58.000 -0.008 0.000 1.149 238 F CB 0.310 39.296 39.000 -0.024 0.000 1.160 238 F HN 0.586 nan 8.300 nan 0.000 0.501 239 Y N 4.888 125.179 120.300 -0.015 0.000 2.702 239 Y HA 0.393 4.945 4.550 0.004 0.000 0.336 239 Y C -0.398 175.455 175.900 -0.078 0.000 1.235 239 Y CA -0.577 57.472 58.100 -0.083 0.000 1.492 239 Y CB 0.551 38.914 38.460 -0.161 0.000 1.308 239 Y HN 0.360 nan 8.280 nan 0.000 0.589 240 V N 3.293 122.696 119.914 -0.851 0.000 2.962 240 V HA 0.643 4.765 4.120 0.004 0.000 0.313 240 V C -2.860 172.327 176.094 -1.512 0.000 1.099 240 V CA -3.180 58.483 62.300 -1.062 0.000 0.971 240 V CB 1.552 33.109 31.823 -0.443 0.000 1.028 240 V HN 0.711 nan 8.190 nan 0.000 0.430 241 P HA 0.105 nan 4.420 nan 0.000 0.263 241 P C 0.470 177.545 177.300 -0.375 0.000 1.175 241 P CA 0.203 62.836 63.100 -0.779 0.000 0.761 241 P CB 0.492 31.512 31.700 -1.133 0.000 0.794 242 R N 3.582 124.007 120.500 -0.124 0.000 2.103 242 R HA -0.189 4.154 4.340 0.004 0.000 0.242 242 R C 0.988 177.383 176.300 0.158 0.000 1.142 242 R CA 2.040 58.157 56.100 0.027 0.000 0.960 242 R CB -1.076 29.334 30.300 0.184 0.000 0.858 242 R HN 0.422 nan 8.270 nan 0.000 0.439 243 D N 0.154 120.694 120.400 0.235 0.000 2.349 243 D HA -0.052 4.590 4.640 0.004 0.000 0.224 243 D C 1.011 177.447 176.300 0.225 0.000 1.029 243 D CA 0.386 54.597 54.000 0.351 0.000 0.879 243 D CB 0.137 41.172 40.800 0.393 0.000 0.906 243 D HN 0.306 nan 8.370 nan 0.000 0.528 244 E N 0.474 120.728 120.200 0.091 0.000 2.285 244 E HA -0.070 4.283 4.350 0.004 0.000 0.194 244 E C 0.683 177.302 176.600 0.032 0.000 0.997 244 E CA 0.224 56.651 56.400 0.045 0.000 0.845 244 E CB -0.224 29.439 29.700 -0.060 0.000 0.782 244 E HN 0.122 nan 8.360 nan 0.000 0.491 245 N N 1.469 120.183 118.700 0.023 0.000 2.521 245 N HA 0.053 4.795 4.740 0.004 0.000 0.236 245 N C -0.774 174.763 175.510 0.044 0.000 1.067 245 N CA -0.038 53.017 53.050 0.008 0.000 0.939 245 N CB 0.071 38.532 38.487 -0.045 0.000 1.201 245 N HN -0.057 nan 8.380 nan 0.000 0.511 246 L N 2.326 123.555 121.223 0.011 0.000 2.361 246 L HA 0.338 4.680 4.340 0.004 0.000 0.278 246 L C 1.448 178.174 176.870 -0.239 0.000 1.113 246 L CA -0.726 54.055 54.840 -0.098 0.000 0.849 246 L CB 0.434 42.408 42.059 -0.142 0.000 1.155 246 L HN 0.483 nan 8.230 nan 0.000 0.452 247 G N 2.760 111.443 108.800 -0.194 0.000 2.572 247 G HA2 0.323 4.285 3.960 0.004 0.000 0.261 247 G HA3 0.323 4.285 3.960 0.004 0.000 0.261 247 G C -0.511 174.102 174.900 -0.479 0.000 1.197 247 G CA -0.326 44.663 45.100 -0.184 0.000 0.870 247 G HN 0.663 nan 8.290 nan 0.000 0.548 248 H N 0.871 119.960 119.070 0.032 0.000 2.771 248 H HA 0.213 4.771 4.556 0.004 0.000 0.361 248 H C 0.787 176.133 175.328 0.029 0.000 1.108 248 H CA -0.613 55.449 56.048 0.024 0.000 1.201 248 H CB 2.265 32.045 29.762 0.031 0.000 1.681 248 H HN 0.276 nan 8.280 nan 0.000 0.534 249 L N 0.924 122.226 121.223 0.131 0.000 2.083 249 L HA -0.089 4.253 4.340 0.004 0.000 0.209 249 L C 0.452 177.379 176.870 0.096 0.000 1.083 249 L CA 1.562 56.459 54.840 0.094 0.000 0.752 249 L CB -0.094 42.007 42.059 0.069 0.000 0.899 249 L HN 0.227 nan 8.230 nan 0.000 0.433 250 K N -0.632 119.831 120.400 0.105 0.000 2.235 250 K HA 0.164 4.486 4.320 0.004 0.000 0.266 250 K C 1.115 177.750 176.600 0.059 0.000 0.980 250 K CA 0.053 56.381 56.287 0.068 0.000 0.849 250 K CB 1.724 34.252 32.500 0.047 0.000 1.098 250 K HN -0.075 nan 8.250 nan 0.000 0.445 251 S N 2.803 118.529 115.700 0.043 0.000 2.419 251 S HA -0.207 4.266 4.470 0.004 0.000 0.233 251 S C 1.614 176.201 174.600 -0.021 0.000 1.016 251 S CA 0.993 59.209 58.200 0.026 0.000 0.974 251 S CB -0.256 62.961 63.200 0.028 0.000 0.786 251 S HN 0.732 nan 8.310 nan 0.000 0.492 252 K N 0.996 121.383 120.400 -0.021 0.000 2.360 252 K HA -0.073 4.249 4.320 0.004 0.000 0.201 252 K C 0.522 177.072 176.600 -0.082 0.000 1.046 252 K CA 1.464 57.726 56.287 -0.041 0.000 0.945 252 K CB -0.310 32.176 32.500 -0.022 0.000 0.750 252 K HN 0.197 nan 8.250 nan 0.000 0.464 253 D N 1.313 121.639 120.400 -0.124 0.000 2.340 253 D HA 0.055 4.697 4.640 0.004 0.000 0.220 253 D C 0.254 176.170 176.300 -0.640 0.000 1.039 253 D CA 0.384 54.230 54.000 -0.256 0.000 0.866 253 D CB 0.491 41.201 40.800 -0.151 0.000 0.913 253 D HN 0.371 nan 8.370 nan 0.000 0.523 254 A N 0.866 123.406 122.820 -0.468 0.000 3.135 254 A HA 0.199 4.521 4.320 0.004 0.000 0.253 254 A C 1.603 179.094 177.584 -0.156 0.000 1.638 254 A CA -0.213 51.593 52.037 -0.385 0.000 1.295 254 A CB -0.886 18.084 19.000 -0.051 0.000 1.106 254 A HN 0.164 nan 8.150 nan 0.000 0.648 255 L N 0.220 121.352 121.223 -0.152 0.000 2.131 255 L HA -0.186 4.156 4.340 0.004 0.000 0.210 255 L C 2.807 179.681 176.870 0.006 0.000 1.092 255 L CA 1.492 56.306 54.840 -0.044 0.000 0.759 255 L CB -0.313 41.744 42.059 -0.004 0.000 0.903 255 L HN 0.754 nan 8.230 nan 0.000 0.435 256 E N 1.580 121.801 120.200 0.034 0.000 2.209 256 E HA -0.264 4.088 4.350 0.004 0.000 0.196 256 E C 1.997 178.617 176.600 0.033 0.000 0.993 256 E CA 1.881 58.318 56.400 0.062 0.000 0.819 256 E CB -0.697 29.064 29.700 0.100 0.000 0.745 256 E HN 0.771 nan 8.360 nan 0.000 0.477 257 I N -1.244 119.339 120.570 0.020 0.000 3.001 257 I HA 0.137 4.309 4.170 0.004 0.000 0.268 257 I C 2.194 178.307 176.117 -0.006 0.000 1.267 257 I CA 1.133 62.436 61.300 0.005 0.000 1.472 257 I CB -0.354 37.651 38.000 0.009 0.000 1.089 257 I HN -0.017 nan 8.210 nan 0.000 0.468 258 G N 1.608 110.406 108.800 -0.004 0.000 2.408 258 G HA2 -0.238 3.724 3.960 0.004 0.000 0.217 258 G HA3 -0.238 3.724 3.960 0.004 0.000 0.217 258 G C 1.684 176.584 174.900 0.000 0.000 1.150 258 G CA 1.365 46.462 45.100 -0.005 0.000 0.776 258 G HN 0.544 nan 8.290 nan 0.000 0.542 259 T N -0.558 113.996 114.554 0.001 0.000 2.821 259 T HA -0.018 4.335 4.350 0.004 0.000 0.267 259 T C 2.111 176.795 174.700 -0.027 0.000 1.046 259 T CA 1.470 63.568 62.100 -0.004 0.000 1.139 259 T CB -0.141 68.720 68.868 -0.012 0.000 0.871 259 T HN 0.339 nan 8.240 nan 0.000 0.454 260 K N 1.103 121.477 120.400 -0.042 0.000 2.009 260 K HA -0.100 4.222 4.320 0.004 0.000 0.210 260 K C 2.655 179.230 176.600 -0.042 0.000 1.049 260 K CA 1.611 57.864 56.287 -0.057 0.000 0.929 260 K CB -0.338 32.126 32.500 -0.061 0.000 0.714 260 K HN 0.310 nan 8.250 nan 0.000 0.440 261 S N 1.138 116.820 115.700 -0.030 0.000 2.382 261 S HA -0.148 4.324 4.470 0.004 0.000 0.228 261 S C 1.736 176.318 174.600 -0.030 0.000 1.027 261 S CA 1.061 59.244 58.200 -0.029 0.000 0.991 261 S CB -0.261 62.926 63.200 -0.022 0.000 0.823 261 S HN 0.241 nan 8.310 nan 0.000 0.469 262 L N 1.454 122.669 121.223 -0.013 0.000 2.017 262 L HA -0.040 4.303 4.340 0.004 0.000 0.208 262 L C 2.482 179.346 176.870 -0.009 0.000 1.073 262 L CA 1.831 56.672 54.840 0.002 0.000 0.745 262 L CB -0.987 41.101 42.059 0.049 0.000 0.894 262 L HN 0.265 nan 8.230 nan 0.000 0.432 263 S N -1.481 114.209 115.700 -0.015 0.000 2.368 263 S HA -0.202 4.270 4.470 0.004 0.000 0.224 263 S C 1.918 176.498 174.600 -0.033 0.000 1.029 263 S CA 1.580 59.766 58.200 -0.023 0.000 0.988 263 S CB -0.100 63.074 63.200 -0.042 0.000 0.838 263 S HN 0.648 nan 8.310 nan 0.000 0.462 264 Q N -0.757 119.018 119.800 -0.041 0.000 2.250 264 Q HA 0.248 4.590 4.340 0.004 0.000 0.200 264 Q C 1.757 177.731 176.000 -0.044 0.000 0.941 264 Q CA 0.997 56.776 55.803 -0.041 0.000 0.872 264 Q CB 0.191 28.904 28.738 -0.041 0.000 0.965 264 Q HN 0.564 nan 8.270 nan 0.000 0.480 265 I N -1.567 118.971 120.570 -0.055 0.000 3.673 265 I HA -0.053 4.119 4.170 0.004 0.000 0.281 265 I C 1.789 177.837 176.117 -0.115 0.000 1.182 265 I CA 0.214 61.472 61.300 -0.069 0.000 1.391 265 I CB 0.362 38.326 38.000 -0.061 0.000 1.383 265 I HN -0.107 nan 8.210 nan 0.000 0.456 266 V N 0.884 120.710 119.914 -0.147 0.000 2.346 266 V HA -0.213 3.910 4.120 0.004 0.000 0.244 266 V C 2.416 178.303 176.094 -0.345 0.000 1.037 266 V CA 1.823 63.940 62.300 -0.306 0.000 1.029 266 V CB -0.629 31.017 31.823 -0.294 0.000 0.663 266 V HN 0.447 nan 8.190 nan 0.000 0.454 267 Q N 0.436 120.157 119.800 -0.132 0.000 2.077 267 Q HA -0.222 4.120 4.340 0.004 0.000 0.206 267 Q C -0.186 175.822 176.000 0.013 0.000 0.989 267 Q CA 2.483 58.286 55.803 0.001 0.000 0.853 267 Q CB -0.998 27.765 28.738 0.042 0.000 0.907 267 Q HN 0.470 nan 8.270 nan 0.000 0.418 268 P HA -0.113 nan 4.420 nan 0.000 0.218 268 P C 0.689 177.996 177.300 0.011 0.000 1.149 268 P CA 1.955 65.054 63.100 -0.000 0.000 0.817 268 P CB -0.197 31.492 31.700 -0.018 0.000 0.785 269 A N -1.179 121.609 122.820 -0.053 0.000 1.877 269 A HA -0.190 4.132 4.320 0.004 0.000 0.216 269 A C 1.921 179.558 177.584 0.088 0.000 1.186 269 A CA 1.417 53.425 52.037 -0.048 0.000 0.620 269 A CB -1.730 17.174 19.000 -0.161 0.000 0.822 269 A HN 0.031 nan 8.150 nan 0.000 0.443 270 F N 0.297 120.290 119.950 0.071 0.000 2.134 270 F HA -0.108 4.421 4.527 0.004 0.000 0.299 270 F C 2.379 178.307 175.800 0.214 0.000 1.097 270 F CA 1.336 59.424 58.000 0.147 0.000 1.264 270 F CB -1.071 37.995 39.000 0.110 0.000 1.001 270 F HN 0.346 nan 8.300 nan 0.000 0.479 271 E N -0.068 120.307 120.200 0.292 0.000 2.118 271 E HA -0.206 4.146 4.350 0.004 0.000 0.195 271 E C 2.345 179.072 176.600 0.212 0.000 0.992 271 E CA 1.766 58.278 56.400 0.186 0.000 0.804 271 E CB -0.235 29.512 29.700 0.080 0.000 0.741 271 E HN 0.413 nan 8.360 nan 0.000 0.458 272 S N 0.739 116.537 115.700 0.164 0.000 2.382 272 S HA -0.109 4.363 4.470 0.004 0.000 0.228 272 S C 2.242 176.921 174.600 0.131 0.000 1.027 272 S CA 0.856 59.127 58.200 0.118 0.000 0.991 272 S CB -0.211 63.032 63.200 0.072 0.000 0.823 272 S HN 0.287 nan 8.310 nan 0.000 0.469 273 A N 0.991 123.916 122.820 0.175 0.000 1.940 273 A HA 0.088 4.411 4.320 0.004 0.000 0.219 273 A C 1.891 179.466 177.584 -0.014 0.000 1.176 273 A CA 1.430 53.515 52.037 0.080 0.000 0.631 273 A CB -1.006 18.049 19.000 0.091 0.000 0.814 273 A HN 0.547 nan 8.150 nan 0.000 0.446 274 F N 0.349 120.308 119.950 0.015 0.000 2.163 274 F HA -0.074 4.456 4.527 0.004 0.000 0.297 274 F C 2.086 177.881 175.800 -0.008 0.000 1.094 274 F CA 1.413 59.404 58.000 -0.014 0.000 1.290 274 F CB -0.347 38.634 39.000 -0.032 0.000 1.017 274 F HN 0.166 nan 8.300 nan 0.000 0.483 275 D N 0.292 120.803 120.400 0.185 0.000 2.149 275 D HA -0.129 4.513 4.640 0.004 0.000 0.198 275 D C 2.085 178.417 176.300 0.055 0.000 0.990 275 D CA 1.269 55.328 54.000 0.098 0.000 0.839 275 D CB -0.394 40.453 40.800 0.079 0.000 0.948 275 D HN 0.250 nan 8.370 nan 0.000 0.460 276 L N -0.145 121.102 121.223 0.041 0.000 2.591 276 L HA 0.105 4.447 4.340 0.004 0.000 0.228 276 L C 0.338 177.201 176.870 -0.011 0.000 1.133 276 L CA 0.083 54.931 54.840 0.013 0.000 0.880 276 L CB -0.206 41.861 42.059 0.013 0.000 1.033 276 L HN -0.072 nan 8.230 nan 0.000 0.450 277 K N -0.692 119.692 120.400 -0.026 0.000 3.125 277 K HA -0.176 4.146 4.320 0.004 0.000 0.268 277 K C 0.907 177.455 176.600 -0.088 0.000 1.078 277 K CA 0.443 56.696 56.287 -0.057 0.000 0.775 277 K CB -1.915 30.570 32.500 -0.025 0.000 1.253 277 K HN 0.209 nan 8.250 nan 0.000 0.486 278 S N -0.579 115.049 115.700 -0.121 0.000 2.524 278 S HA 0.001 4.473 4.470 0.004 0.000 0.216 278 S C 0.648 175.146 174.600 -0.170 0.000 0.987 278 S CA 0.537 58.669 58.200 -0.114 0.000 0.909 278 S CB 0.776 63.928 63.200 -0.080 0.000 0.781 278 S HN 0.481 nan 8.310 nan 0.000 0.521 279 T N 2.106 116.487 114.554 -0.288 0.000 2.916 279 T HA 0.468 4.820 4.350 0.004 0.000 0.305 279 T C -3.133 171.359 174.700 -0.346 0.000 1.119 279 T CA -2.041 59.854 62.100 -0.341 0.000 1.008 279 T CB 1.221 69.785 68.868 -0.506 0.000 1.129 279 T HN -0.243 nan 8.240 nan 0.000 0.480 280 P HA 0.145 nan 4.420 nan 0.000 0.266 280 P C 0.868 178.065 177.300 -0.172 0.000 1.195 280 P CA -0.369 62.666 63.100 -0.108 0.000 0.768 280 P CB 0.333 32.042 31.700 0.014 0.000 0.838 281 I N 0.413 120.960 120.570 -0.039 0.000 2.394 281 I HA -0.046 4.126 4.170 0.004 0.000 0.251 281 I C 1.064 177.189 176.117 0.014 0.000 1.136 281 I CA 1.586 62.951 61.300 0.109 0.000 1.425 281 I CB -0.905 37.164 38.000 0.115 0.000 1.079 281 I HN 0.385 nan 8.210 nan 0.000 0.425 282 E N -0.057 120.042 120.200 -0.169 0.000 2.277 282 E HA 0.352 4.705 4.350 0.004 0.000 0.266 282 E C -1.008 175.268 176.600 -0.539 0.000 0.901 282 E CA -0.923 55.261 56.400 -0.360 0.000 0.782 282 E CB 2.043 31.556 29.700 -0.312 0.000 1.228 282 E HN -0.160 nan 8.360 nan 0.000 0.424 283 F N 1.494 121.265 119.950 -0.298 0.000 2.518 283 F HA 0.063 4.593 4.527 0.004 0.000 0.359 283 F C 1.889 177.441 175.800 -0.413 0.000 1.118 283 F CA 0.311 58.154 58.000 -0.263 0.000 1.287 283 F CB 0.373 39.303 39.000 -0.118 0.000 1.132 283 F HN 0.430 nan 8.300 nan 0.000 0.587 284 H N -0.225 118.971 119.070 0.209 0.000 2.750 284 H HA 0.211 4.770 4.556 0.004 0.000 0.263 284 H C 0.313 175.673 175.328 0.054 0.000 0.964 284 H CA 0.694 56.802 56.048 0.099 0.000 1.205 284 H CB 0.698 30.493 29.762 0.055 0.000 1.454 284 H HN 0.509 nan 8.280 nan 0.000 0.503 285 S N -1.093 114.693 115.700 0.143 0.000 2.596 285 S HA 0.209 4.681 4.470 0.004 0.000 0.270 285 S C 0.176 174.848 174.600 0.121 0.000 1.155 285 S CA -0.740 57.488 58.200 0.046 0.000 0.827 285 S CB 0.685 63.902 63.200 0.029 0.000 1.130 285 S HN -0.180 nan 8.310 nan 0.000 0.467 286 F N 1.249 121.146 119.950 -0.089 0.000 2.216 286 F HA 0.003 4.532 4.527 0.004 0.000 0.300 286 F C 2.720 178.423 175.800 -0.161 0.000 1.085 286 F CA 1.490 59.388 58.000 -0.169 0.000 1.326 286 F CB -1.205 37.786 39.000 -0.014 0.000 1.027 286 F HN 0.742 nan 8.300 nan 0.000 0.497 287 Q N 0.884 120.806 119.800 0.203 0.000 2.181 287 Q HA -0.182 4.160 4.340 0.004 0.000 0.205 287 Q C 1.531 177.540 176.000 0.015 0.000 0.980 287 Q CA 1.766 57.663 55.803 0.158 0.000 0.862 287 Q CB -0.473 28.337 28.738 0.120 0.000 0.905 287 Q HN 0.243 nan 8.270 nan 0.000 0.429 288 D N -1.127 119.271 120.400 -0.004 0.000 2.178 288 D HA -0.112 4.530 4.640 0.004 0.000 0.201 288 D C 1.712 177.905 176.300 -0.179 0.000 0.980 288 D CA 1.126 55.134 54.000 0.012 0.000 0.842 288 D CB 0.058 40.964 40.800 0.177 0.000 0.948 288 D HN 0.191 nan 8.370 nan 0.000 0.472 289 V N 1.043 120.647 119.914 -0.517 0.000 2.346 289 V HA -0.175 3.948 4.120 0.004 0.000 0.244 289 V C 2.194 177.959 176.094 -0.549 0.000 1.037 289 V CA 1.254 63.072 62.300 -0.803 0.000 1.029 289 V CB -0.524 30.660 31.823 -1.067 0.000 0.663 289 V HN 0.286 nan 8.190 nan 0.000 0.454 290 H N 0.141 119.000 119.070 -0.352 0.000 2.422 290 H HA -0.142 4.416 4.556 0.004 0.000 0.298 290 H C 2.127 177.007 175.328 -0.748 0.000 1.098 290 H CA 1.587 57.291 56.048 -0.573 0.000 1.315 290 H CB -0.313 29.282 29.762 -0.277 0.000 1.382 290 H HN 0.438 nan 8.280 nan 0.000 0.523 291 D N 0.785 121.031 120.400 -0.256 0.000 2.221 291 D HA -0.111 4.531 4.640 0.004 0.000 0.204 291 D C 2.387 178.602 176.300 -0.143 0.000 0.982 291 D CA 0.333 54.237 54.000 -0.161 0.000 0.857 291 D CB -0.235 40.541 40.800 -0.042 0.000 0.934 291 D HN 0.337 nan 8.370 nan 0.000 0.475 292 L N 0.060 121.200 121.223 -0.139 0.000 2.127 292 L HA -0.196 4.146 4.340 0.004 0.000 0.211 292 L C 1.949 178.959 176.870 0.234 0.000 1.089 292 L CA 1.112 56.011 54.840 0.098 0.000 0.757 292 L CB -0.470 41.618 42.059 0.048 0.000 0.899 292 L HN 0.249 nan 8.230 nan 0.000 0.434 293 Y N -2.869 117.543 120.300 0.186 0.000 2.507 293 Y HA 0.366 4.918 4.550 0.004 0.000 0.254 293 Y C 1.444 177.426 175.900 0.137 0.000 1.171 293 Y CA -0.719 57.502 58.100 0.202 0.000 1.238 293 Y CB -0.446 38.122 38.460 0.180 0.000 1.148 293 Y HN 0.068 nan 8.280 nan 0.000 0.525 294 E N 0.926 121.102 120.200 -0.040 0.000 2.799 294 E HA 0.231 4.583 4.350 0.004 0.000 0.298 294 E C 1.945 178.573 176.600 0.046 0.000 0.805 294 E CA 0.249 56.656 56.400 0.012 0.000 1.265 294 E CB -0.447 29.202 29.700 -0.086 0.000 2.052 294 E HN 0.312 nan 8.360 nan 0.000 0.541 295 G N 0.093 108.905 108.800 0.020 0.000 2.572 295 G HA2 0.288 4.251 3.960 0.004 0.000 0.216 295 G HA3 0.288 4.251 3.960 0.004 0.000 0.216 295 G C 0.664 175.599 174.900 0.057 0.000 1.133 295 G CA 0.600 45.723 45.100 0.037 0.000 0.791 295 G HN 0.591 nan 8.290 nan 0.000 0.538 296 G N -0.779 108.064 108.800 0.071 0.000 2.610 296 G HA2 -0.084 3.878 3.960 0.004 0.000 0.304 296 G HA3 -0.084 3.878 3.960 0.004 0.000 0.304 296 G C -0.693 174.266 174.900 0.098 0.000 1.309 296 G CA -0.254 44.913 45.100 0.113 0.000 0.906 296 G HN 0.789 nan 8.290 nan 0.000 0.521 297 I N 0.167 120.805 120.570 0.113 0.000 2.441 297 I HA 0.581 4.753 4.170 0.004 0.000 0.295 297 I C 0.232 176.382 176.117 0.054 0.000 0.994 297 I CA -1.129 60.221 61.300 0.082 0.000 1.144 297 I CB 1.080 39.144 38.000 0.107 0.000 1.314 297 I HN 0.501 nan 8.210 nan 0.000 0.445 298 K N 8.007 128.424 120.400 0.029 0.000 2.258 298 K HA 0.519 4.841 4.320 0.004 0.000 0.284 298 K C -1.171 175.443 176.600 0.023 0.000 1.051 298 K CA -0.316 55.990 56.287 0.030 0.000 0.923 298 K CB 1.195 33.686 32.500 -0.014 0.000 1.046 298 K HN 0.524 nan 8.250 nan 0.000 0.474 299 L N 3.841 125.112 121.223 0.080 0.000 2.309 299 L HA 0.484 4.826 4.340 0.004 0.000 0.261 299 L C -2.385 174.579 176.870 0.158 0.000 1.021 299 L CA -2.764 52.123 54.840 0.079 0.000 0.823 299 L CB 1.898 44.012 42.059 0.091 0.000 1.366 299 L HN 0.351 nan 8.230 nan 0.000 0.423 300 P HA 0.106 nan 4.420 nan 0.000 0.267 300 P C 0.039 177.383 177.300 0.072 0.000 1.200 300 P CA -0.005 63.171 63.100 0.127 0.000 0.772 300 P CB 0.540 32.277 31.700 0.062 0.000 0.855 301 R N 2.306 122.814 120.500 0.013 0.000 2.096 301 R HA -0.182 4.161 4.340 0.004 0.000 0.240 301 R C 1.666 177.910 176.300 -0.092 0.000 1.139 301 R CA 2.097 58.089 56.100 -0.181 0.000 0.952 301 R CB -0.697 29.492 30.300 -0.185 0.000 0.854 301 R HN 0.676 nan 8.270 nan 0.000 0.436 302 D N 0.260 120.637 120.400 -0.039 0.000 2.312 302 D HA -0.087 4.555 4.640 0.004 0.000 0.211 302 D C 1.691 177.973 176.300 -0.031 0.000 0.964 302 D CA 0.794 54.775 54.000 -0.032 0.000 0.877 302 D CB 0.001 40.793 40.800 -0.014 0.000 0.924 302 D HN 0.110 nan 8.370 nan 0.000 0.515 303 V N 1.412 121.316 119.914 -0.016 0.000 2.346 303 V HA -0.184 3.939 4.120 0.004 0.000 0.244 303 V C 2.684 178.750 176.094 -0.047 0.000 1.037 303 V CA 0.727 63.018 62.300 -0.015 0.000 1.029 303 V CB -0.274 31.577 31.823 0.046 0.000 0.663 303 V HN 0.156 nan 8.190 nan 0.000 0.454 304 I N 0.441 120.983 120.570 -0.046 0.000 2.208 304 I HA -0.205 3.968 4.170 0.004 0.000 0.245 304 I C 2.513 178.589 176.117 -0.069 0.000 1.097 304 I CA 1.693 62.952 61.300 -0.068 0.000 1.363 304 I CB -1.437 36.511 38.000 -0.086 0.000 1.051 304 I HN 0.285 nan 8.210 nan 0.000 0.413 305 S N 0.154 115.813 115.700 -0.068 0.000 2.423 305 S HA -0.106 4.366 4.470 0.004 0.000 0.231 305 S C 1.986 176.557 174.600 -0.049 0.000 1.014 305 S CA 1.391 59.557 58.200 -0.056 0.000 0.965 305 S CB -0.202 62.965 63.200 -0.055 0.000 0.785 305 S HN 0.495 nan 8.310 nan 0.000 0.495 306 T N 1.923 116.442 114.554 -0.058 0.000 2.904 306 T HA 0.170 4.522 4.350 0.004 0.000 0.267 306 T C 1.628 176.286 174.700 -0.070 0.000 1.059 306 T CA 0.779 62.842 62.100 -0.062 0.000 1.137 306 T CB -0.132 68.692 68.868 -0.073 0.000 0.879 306 T HN 0.322 nan 8.240 nan 0.000 0.467 307 I N 0.014 120.535 120.570 -0.081 0.000 2.556 307 I HA 0.133 4.305 4.170 0.004 0.000 0.251 307 I C 2.190 178.299 176.117 -0.012 0.000 1.105 307 I CA 0.473 61.728 61.300 -0.074 0.000 1.436 307 I CB -0.090 37.823 38.000 -0.145 0.000 1.139 307 I HN 0.118 nan 8.210 nan 0.000 0.438 308 I N 2.250 122.811 120.570 -0.015 0.000 2.399 308 I HA -0.189 3.984 4.170 0.004 0.000 0.254 308 I C -0.523 175.596 176.117 0.004 0.000 1.146 308 I CA 1.432 62.736 61.300 0.006 0.000 1.412 308 I CB -0.608 37.386 38.000 -0.010 0.000 1.076 308 I HN 0.191 nan 8.210 nan 0.000 0.432 309 P HA 0.102 nan 4.420 nan 0.000 0.261 309 P C 0.166 177.464 177.300 -0.004 0.000 1.268 309 P CA 0.280 63.376 63.100 -0.005 0.000 0.833 309 P CB 0.089 31.783 31.700 -0.010 0.000 1.231 310 L N 2.050 123.270 121.223 -0.004 0.000 2.367 310 L HA 0.295 4.637 4.340 0.004 0.000 0.275 310 L C -2.061 174.805 176.870 -0.007 0.000 1.129 310 L CA -2.194 52.641 54.840 -0.007 0.000 0.839 310 L CB 0.074 42.127 42.059 -0.010 0.000 1.133 310 L HN -0.192 nan 8.230 nan 0.000 0.453 311 P HA 0.072 nan 4.420 nan 0.000 0.267 311 P C 0.738 178.025 177.300 -0.022 0.000 1.200 311 P CA 0.104 63.197 63.100 -0.012 0.000 0.772 311 P CB 0.968 32.664 31.700 -0.006 0.000 0.855 312 V N 1.467 121.361 119.914 -0.034 0.000 0.508 312 V HA -0.346 3.777 4.120 0.004 0.000 0.092 312 V C 2.074 178.126 176.094 -0.070 0.000 2.282 312 V CA 2.266 64.536 62.300 -0.051 0.000 3.591 312 V CB -2.012 29.784 31.823 -0.045 0.000 0.878 312 V HN 0.490 nan 8.190 nan 0.000 0.919 313 I N 1.459 122.000 120.570 -0.049 0.000 2.208 313 I HA -0.245 3.927 4.170 0.004 0.000 0.245 313 I C 2.572 178.658 176.117 -0.053 0.000 1.097 313 I CA 2.825 64.097 61.300 -0.046 0.000 1.363 313 I CB -1.267 36.744 38.000 0.018 0.000 1.051 313 I HN 0.844 nan 8.210 nan 0.000 0.413 314 K N 0.838 121.229 120.400 -0.014 0.000 2.280 314 K HA -0.144 4.178 4.320 0.004 0.000 0.202 314 K C 1.285 177.858 176.600 -0.045 0.000 1.047 314 K CA 1.087 57.379 56.287 0.008 0.000 0.942 314 K CB -0.209 32.297 32.500 0.009 0.000 0.739 314 K HN 0.273 nan 8.250 nan 0.000 0.457 315 E N 1.141 121.283 120.200 -0.097 0.000 2.427 315 E HA -0.003 4.349 4.350 0.004 0.000 0.196 315 E C 1.824 178.293 176.600 -0.218 0.000 1.028 315 E CA 0.460 56.791 56.400 -0.117 0.000 0.864 315 E CB 0.008 29.652 29.700 -0.093 0.000 0.813 315 E HN 0.443 nan 8.360 nan 0.000 0.514 316 L N -0.576 120.401 121.223 -0.411 0.000 2.418 316 L HA 0.018 4.361 4.340 0.004 0.000 0.218 316 L C 0.102 176.498 176.870 -0.790 0.000 1.125 316 L CA 0.589 55.005 54.840 -0.707 0.000 0.835 316 L CB -0.020 41.377 42.059 -1.103 0.000 0.953 316 L HN 0.032 nan 8.230 nan 0.000 0.454 317 Y N -1.285 118.919 120.300 -0.160 0.000 2.457 317 Y HA 0.472 5.024 4.550 0.004 0.000 0.343 317 Y C 0.015 175.858 175.900 -0.095 0.000 0.994 317 Y CA -1.245 56.739 58.100 -0.194 0.000 1.031 317 Y CB 1.038 39.345 38.460 -0.255 0.000 1.246 317 Y HN -0.198 nan 8.280 nan 0.000 0.449 318 R N 0.854 121.408 120.500 0.091 0.000 2.531 318 R HA 0.620 4.962 4.340 0.004 0.000 0.273 318 R C -0.410 175.933 176.300 0.071 0.000 1.070 318 R CA -0.344 55.797 56.100 0.069 0.000 1.112 318 R CB 1.509 31.846 30.300 0.061 0.000 1.049 318 R HN 0.746 nan 8.270 nan 0.000 0.508 319 T N -0.542 114.042 114.554 0.050 0.000 2.868 319 T HA 0.073 4.425 4.350 0.004 0.000 0.306 319 T C -0.247 174.470 174.700 0.028 0.000 1.224 319 T CA -0.830 61.291 62.100 0.035 0.000 1.012 319 T CB 1.269 70.151 68.868 0.023 0.000 1.221 319 T HN 0.709 nan 8.240 nan 0.000 0.499 320 D N 0.823 121.238 120.400 0.026 0.000 2.340 320 D HA 0.200 4.842 4.640 0.004 0.000 0.220 320 D C 1.487 177.791 176.300 0.006 0.000 1.039 320 D CA 0.890 54.904 54.000 0.023 0.000 0.866 320 D CB -0.423 40.400 40.800 0.038 0.000 0.913 320 D HN 1.143 nan 8.370 nan 0.000 0.523 321 G N 0.189 108.984 108.800 -0.007 0.000 2.184 321 G HA2 -0.361 3.601 3.960 0.004 0.000 0.264 321 G HA3 -0.361 3.601 3.960 0.004 0.000 0.264 321 G C 0.891 175.751 174.900 -0.066 0.000 0.975 321 G CA 0.765 45.849 45.100 -0.027 0.000 0.642 321 G HN 0.487 nan 8.290 nan 0.000 0.536 322 Q N -2.668 117.083 119.800 -0.082 0.000 2.589 322 Q HA 0.266 4.608 4.340 0.004 0.000 0.216 322 Q C 1.545 177.303 176.000 -0.404 0.000 0.774 322 Q CA 0.633 56.308 55.803 -0.213 0.000 0.909 322 Q CB 0.663 29.328 28.738 -0.122 0.000 1.283 322 Q HN 0.640 nan 8.270 nan 0.000 0.597 323 H N -1.073 117.995 119.070 -0.003 0.000 3.771 323 H HA 0.373 4.932 4.556 0.004 0.000 0.260 323 H C -0.300 175.025 175.328 -0.005 0.000 1.158 323 H CA -0.123 55.922 56.048 -0.005 0.000 1.170 323 H CB 1.571 31.330 29.762 -0.005 0.000 1.539 323 H HN -0.013 nan 8.280 nan 0.000 0.634 324 I N 2.192 122.821 120.570 0.098 0.000 2.359 324 I HA 0.243 4.415 4.170 0.004 0.000 0.294 324 I C -0.816 175.313 176.117 0.021 0.000 0.987 324 I CA -0.529 60.810 61.300 0.065 0.000 1.225 324 I CB 2.003 40.043 38.000 0.066 0.000 1.366 324 I HN -0.062 nan 8.210 nan 0.000 0.466 325 L N 6.664 127.888 121.223 0.000 0.000 2.322 325 L HA 0.527 4.869 4.340 0.004 0.000 0.281 325 L C -0.298 176.589 176.870 0.028 0.000 1.014 325 L CA -0.662 54.138 54.840 -0.067 0.000 0.815 325 L CB 1.728 43.608 42.059 -0.298 0.000 1.247 325 L HN 0.521 nan 8.230 nan 0.000 0.421 326 K N 3.395 123.837 120.400 0.070 0.000 2.413 326 K HA 0.472 4.794 4.320 0.004 0.000 0.257 326 K C -1.092 175.629 176.600 0.203 0.000 0.946 326 K CA -0.569 55.821 56.287 0.172 0.000 0.823 326 K CB 1.225 33.812 32.500 0.144 0.000 1.109 326 K HN 0.209 nan 8.250 nan 0.000 0.427 327 F N 4.473 124.595 119.950 0.287 0.000 2.406 327 F HA 0.254 4.783 4.527 0.004 0.000 0.327 327 F C -1.446 174.500 175.800 0.245 0.000 1.153 327 F CA -1.619 56.562 58.000 0.302 0.000 1.218 327 F CB 0.353 39.582 39.000 0.383 0.000 1.215 327 F HN 0.456 nan 8.300 nan 0.000 0.570 328 P HA -0.011 nan 4.420 nan 0.000 0.274 328 P C -1.254 176.198 177.300 0.253 0.000 1.231 328 P CA -0.573 62.651 63.100 0.207 0.000 0.790 328 P CB 0.653 32.372 31.700 0.032 0.000 0.951 329 Q N 2.988 122.834 119.800 0.078 0.000 2.262 329 Q HA 0.137 4.480 4.340 0.004 0.000 0.272 329 Q C -2.041 173.811 176.000 -0.246 0.000 1.076 329 Q CA -1.535 54.121 55.803 -0.246 0.000 0.905 329 Q CB -0.132 28.495 28.738 -0.185 0.000 1.182 329 Q HN 0.285 nan 8.270 nan 0.000 0.390 330 P HA 0.010 nan 4.420 nan 0.000 0.271 330 P C -0.429 176.702 177.300 -0.281 0.000 1.218 330 P CA 0.040 62.986 63.100 -0.256 0.000 0.780 330 P CB 0.647 32.058 31.700 -0.482 0.000 0.901 331 H N 0.687 119.576 119.070 -0.302 0.000 2.390 331 H HA -0.135 4.423 4.556 0.004 0.000 0.298 331 H C 1.767 176.875 175.328 -0.365 0.000 1.106 331 H CA 1.496 57.320 56.048 -0.374 0.000 1.297 331 H CB -0.612 28.771 29.762 -0.631 0.000 1.375 331 H HN 0.129 nan 8.280 nan 0.000 0.509 332 V N 1.053 120.813 119.914 -0.256 0.000 2.867 332 V HA -0.130 3.992 4.120 0.004 0.000 0.260 332 V C 1.690 177.745 176.094 -0.064 0.000 1.099 332 V CA 1.669 63.874 62.300 -0.159 0.000 1.122 332 V CB -0.320 31.457 31.823 -0.077 0.000 0.708 332 V HN 0.491 nan 8.190 nan 0.000 0.490 333 V N -3.557 116.284 119.914 -0.122 0.000 3.427 333 V HA 0.212 4.334 4.120 0.004 0.000 0.305 333 V C 1.716 177.761 176.094 -0.082 0.000 1.412 333 V CA 0.551 62.815 62.300 -0.061 0.000 1.086 333 V CB 0.067 31.855 31.823 -0.057 0.000 0.964 333 V HN 0.468 nan 8.190 nan 0.000 0.439 334 Q N 0.274 120.003 119.800 -0.118 0.000 2.291 334 Q HA -0.008 4.334 4.340 0.004 0.000 0.205 334 Q C 1.947 177.916 176.000 -0.050 0.000 0.970 334 Q CA 1.771 57.510 55.803 -0.107 0.000 0.876 334 Q CB 0.349 28.994 28.738 -0.155 0.000 0.935 334 Q HN 0.703 nan 8.270 nan 0.000 0.455 335 V N -1.506 118.391 119.914 -0.028 0.000 3.013 335 V HA 0.079 4.202 4.120 0.004 0.000 0.238 335 V C 0.495 176.593 176.094 0.005 0.000 1.161 335 V CA 0.388 62.685 62.300 -0.006 0.000 1.170 335 V CB 1.457 33.283 31.823 0.004 0.000 0.917 335 V HN -0.022 nan 8.190 nan 0.000 0.478 336 S N 0.085 115.795 115.700 0.016 0.000 2.672 336 S HA 0.299 4.771 4.470 0.004 0.000 0.291 336 S C 0.476 175.109 174.600 0.056 0.000 1.145 336 S CA -0.440 57.775 58.200 0.026 0.000 1.013 336 S CB 1.808 65.024 63.200 0.027 0.000 1.017 336 S HN 0.496 nan 8.310 nan 0.000 0.487 337 Q N 3.367 123.193 119.800 0.044 0.000 2.472 337 Q HA 0.056 4.398 4.340 0.004 0.000 0.208 337 Q C 1.058 177.190 176.000 0.221 0.000 0.958 337 Q CA 1.484 57.343 55.803 0.094 0.000 0.932 337 Q CB -0.076 28.609 28.738 -0.089 0.000 1.007 337 Q HN 0.638 nan 8.270 nan 0.000 0.508 338 S N -1.137 114.614 115.700 0.086 0.000 2.505 338 S HA 0.374 4.846 4.470 0.004 0.000 0.216 338 S C 1.941 176.387 174.600 -0.256 0.000 1.018 338 S CA -0.004 58.153 58.200 -0.072 0.000 0.911 338 S CB 0.363 63.518 63.200 -0.075 0.000 0.818 338 S HN 0.412 nan 8.310 nan 0.000 0.497 339 A N 2.674 125.457 122.820 -0.061 0.000 2.070 339 A HA -0.012 4.310 4.320 0.004 0.000 0.220 339 A C 1.950 179.511 177.584 -0.037 0.000 1.159 339 A CA 1.150 53.157 52.037 -0.050 0.000 0.656 339 A CB -1.357 17.665 19.000 0.036 0.000 0.800 339 A HN 0.932 nan 8.150 nan 0.000 0.453 340 W N -0.604 120.712 121.300 0.025 0.000 2.364 340 W HA -0.175 4.487 4.660 0.004 0.000 0.281 340 W C 1.406 177.938 176.519 0.022 0.000 1.219 340 W CA 1.200 58.561 57.345 0.027 0.000 1.220 340 W CB -1.014 28.439 29.460 -0.013 0.000 1.127 340 W HN 0.295 nan 8.180 nan 0.000 0.556 341 M N 1.565 120.568 119.600 -0.994 0.000 2.476 341 M HA -0.037 4.445 4.480 0.004 0.000 0.262 341 M C 1.148 177.238 176.300 -0.350 0.000 1.079 341 M CA 1.460 56.169 55.300 -0.985 0.000 1.104 341 M CB -0.702 31.271 32.600 -1.045 0.000 1.409 341 M HN -0.103 nan 8.290 nan 0.000 0.467 342 T N -2.037 112.407 114.554 -0.184 0.000 2.913 342 T HA 0.066 4.418 4.350 0.004 0.000 0.297 342 T C 0.530 175.280 174.700 0.084 0.000 1.029 342 T CA -0.650 61.428 62.100 -0.036 0.000 1.104 342 T CB 1.118 69.981 68.868 -0.009 0.000 0.964 342 T HN 0.041 nan 8.240 nan 0.000 0.532 343 D N 1.344 121.828 120.400 0.139 0.000 2.218 343 D HA -0.041 4.601 4.640 0.004 0.000 0.204 343 D C 1.890 178.342 176.300 0.253 0.000 0.976 343 D CA 1.056 55.215 54.000 0.265 0.000 0.853 343 D CB -0.060 40.907 40.800 0.277 0.000 0.939 343 D HN 0.742 nan 8.370 nan 0.000 0.481 344 E N 0.360 120.651 120.200 0.153 0.000 2.077 344 E HA -0.166 4.186 4.350 0.004 0.000 0.193 344 E C 1.886 178.557 176.600 0.118 0.000 0.989 344 E CA 0.972 57.442 56.400 0.116 0.000 0.800 344 E CB -0.066 29.679 29.700 0.074 0.000 0.746 344 E HN 0.149 nan 8.360 nan 0.000 0.452 345 E N -0.203 120.077 120.200 0.133 0.000 2.152 345 E HA -0.116 4.236 4.350 0.004 0.000 0.192 345 E C 1.612 178.313 176.600 0.167 0.000 0.983 345 E CA 0.519 57.002 56.400 0.139 0.000 0.818 345 E CB -0.308 29.485 29.700 0.154 0.000 0.758 345 E HN 0.277 nan 8.360 nan 0.000 0.467 346 F N 0.642 120.625 119.950 0.054 0.000 2.126 346 F HA -0.159 4.370 4.527 0.004 0.000 0.299 346 F C 1.941 177.749 175.800 0.014 0.000 1.096 346 F CA 1.924 59.948 58.000 0.040 0.000 1.255 346 F CB -0.605 38.426 39.000 0.051 0.000 0.997 346 F HN 0.104 nan 8.300 nan 0.000 0.479 347 A N 0.444 123.265 122.820 0.001 0.000 1.898 347 A HA -0.095 4.228 4.320 0.004 0.000 0.214 347 A C 2.398 179.879 177.584 -0.171 0.000 1.183 347 A CA 1.201 53.141 52.037 -0.163 0.000 0.622 347 A CB -0.826 18.179 19.000 0.007 0.000 0.824 347 A HN 0.430 nan 8.150 nan 0.000 0.444 348 R N 0.151 120.603 120.500 -0.081 0.000 2.105 348 R HA -0.168 4.174 4.340 0.004 0.000 0.239 348 R C 1.643 177.863 176.300 -0.133 0.000 1.135 348 R CA 1.781 57.828 56.100 -0.089 0.000 0.967 348 R CB -0.245 30.051 30.300 -0.006 0.000 0.861 348 R HN 0.667 nan 8.270 nan 0.000 0.442 349 E N -0.212 119.895 120.200 -0.155 0.000 2.418 349 E HA -0.141 4.211 4.350 0.004 0.000 0.197 349 E C 1.674 178.120 176.600 -0.257 0.000 1.026 349 E CA 0.746 56.995 56.400 -0.251 0.000 0.862 349 E CB 0.031 29.537 29.700 -0.323 0.000 0.799 349 E HN 0.458 nan 8.360 nan 0.000 0.518 350 M N 0.133 119.572 119.600 -0.268 0.000 2.562 350 M HA 0.005 4.487 4.480 0.004 0.000 0.257 350 M C 2.029 178.176 176.300 -0.255 0.000 1.099 350 M CA 1.027 56.173 55.300 -0.257 0.000 1.099 350 M CB 0.034 32.453 32.600 -0.302 0.000 1.427 350 M HN 0.210 nan 8.290 nan 0.000 0.489 351 I N -4.775 115.631 120.570 -0.274 0.000 4.323 351 I HA 0.435 4.607 4.170 0.004 0.000 0.328 351 I C 1.183 177.261 176.117 -0.065 0.000 1.310 351 I CA -0.018 61.105 61.300 -0.294 0.000 1.186 351 I CB 0.362 37.980 38.000 -0.636 0.000 1.130 351 I HN -0.018 nan 8.210 nan 0.000 0.411 352 A N 1.179 123.929 122.820 -0.116 0.000 2.622 352 A HA 0.714 5.037 4.320 0.004 0.000 0.283 352 A C 0.744 178.405 177.584 0.129 0.000 0.998 352 A CA 0.146 52.110 52.037 -0.122 0.000 0.985 352 A CB -0.420 18.504 19.000 -0.126 0.000 1.236 352 A HN 0.385 nan 8.150 nan 0.000 0.559 353 G N -1.107 107.628 108.800 -0.108 0.000 2.641 353 G HA2 0.397 4.359 3.960 0.004 0.000 0.239 353 G HA3 0.397 4.359 3.960 0.004 0.000 0.239 353 G C 0.992 175.792 174.900 -0.165 0.000 1.402 353 G CA 0.490 45.281 45.100 -0.515 0.000 1.046 353 G HN 0.413 nan 8.290 nan 0.000 0.565 354 V N -0.091 119.645 119.914 -0.296 0.000 2.626 354 V HA -0.003 4.119 4.120 0.004 0.000 0.252 354 V C 0.824 176.829 176.094 -0.148 0.000 1.067 354 V CA 1.935 64.172 62.300 -0.104 0.000 1.081 354 V CB -0.309 31.384 31.823 -0.217 0.000 0.686 354 V HN 0.556 nan 8.190 nan 0.000 0.468 355 N N 0.108 118.728 118.700 -0.133 0.000 2.791 355 N HA 0.318 5.060 4.740 0.004 0.000 0.265 355 N C -2.285 173.214 175.510 -0.019 0.000 1.580 355 N CA -1.508 51.561 53.050 0.031 0.000 0.809 355 N CB 1.432 39.989 38.487 0.116 0.000 1.178 355 N HN 0.238 nan 8.380 nan 0.000 0.499 356 P HA 0.209 nan 4.420 nan 0.000 0.254 356 P C 0.028 177.311 177.300 -0.028 0.000 1.494 356 P CA -0.075 62.972 63.100 -0.088 0.000 0.961 356 P CB -0.474 31.173 31.700 -0.089 0.000 1.493 357 C N -3.416 115.868 119.300 -0.028 0.000 3.226 357 C HA 0.463 4.925 4.460 0.004 0.000 0.258 357 C C 1.404 176.460 174.990 0.109 0.000 1.688 357 C CA -0.424 58.631 59.018 0.061 0.000 1.774 357 C CB -1.023 26.700 27.740 -0.027 0.000 3.167 357 C HN 0.032 nan 8.230 nan 0.000 0.509 358 V N 0.586 120.537 119.914 0.062 0.000 3.307 358 V HA 0.227 4.349 4.120 0.004 0.000 0.244 358 V C 1.235 177.283 176.094 -0.077 0.000 1.196 358 V CA 0.211 62.505 62.300 -0.009 0.000 1.132 358 V CB -0.094 31.701 31.823 -0.046 0.000 0.875 358 V HN 0.651 nan 8.190 nan 0.000 0.468 359 I N 1.885 122.411 120.570 -0.073 0.000 2.948 359 I HA -0.029 4.143 4.170 0.004 0.000 0.303 359 I C 0.438 176.565 176.117 0.017 0.000 1.224 359 I CA 0.870 62.126 61.300 -0.075 0.000 1.442 359 I CB 0.205 38.114 38.000 -0.151 0.000 1.328 359 I HN 0.258 nan 8.210 nan 0.000 0.578 360 R N 4.416 124.953 120.500 0.061 0.000 2.795 360 R HA 0.468 4.811 4.340 0.004 0.000 0.275 360 R C -0.380 176.045 176.300 0.209 0.000 0.981 360 R CA -0.772 55.394 56.100 0.110 0.000 0.917 360 R CB 1.711 32.022 30.300 0.019 0.000 1.202 360 R HN 0.782 nan 8.270 nan 0.000 0.469 361 G N 1.069 109.960 108.800 0.152 0.000 2.491 361 G HA2 0.301 4.263 3.960 0.004 0.000 0.242 361 G HA3 0.301 4.263 3.960 0.004 0.000 0.242 361 G C -1.048 173.756 174.900 -0.160 0.000 1.266 361 G CA -0.174 44.831 45.100 -0.158 0.000 0.844 361 G HN 0.278 nan 8.290 nan 0.000 0.571 362 L N 0.728 121.791 121.223 -0.266 0.000 2.319 362 L HA 0.480 4.822 4.340 0.004 0.000 0.281 362 L C 0.562 177.362 176.870 -0.117 0.000 1.005 362 L CA -0.227 54.541 54.840 -0.121 0.000 0.828 362 L CB 1.576 43.614 42.059 -0.035 0.000 1.227 362 L HN 0.709 nan 8.230 nan 0.000 0.415 363 E N 3.416 123.575 120.200 -0.069 0.000 2.526 363 E HA 0.123 4.475 4.350 0.004 0.000 0.208 363 E C -0.583 176.014 176.600 -0.005 0.000 0.997 363 E CA 0.067 56.436 56.400 -0.051 0.000 0.961 363 E CB 0.861 30.529 29.700 -0.055 0.000 1.030 363 E HN 0.780 nan 8.360 nan 0.000 0.483 364 E N -0.264 119.946 120.200 0.017 0.000 2.429 364 E HA 0.524 4.876 4.350 0.004 0.000 0.276 364 E C -1.277 175.388 176.600 0.109 0.000 0.953 364 E CA -0.938 55.490 56.400 0.047 0.000 0.787 364 E CB 1.794 31.495 29.700 0.002 0.000 1.307 364 E HN -0.111 nan 8.360 nan 0.000 0.458 365 F N 1.453 121.389 119.950 -0.024 0.000 2.588 365 F HA 0.435 4.964 4.527 0.004 0.000 0.314 365 F C -2.497 173.293 175.800 -0.016 0.000 1.134 365 F CA -1.538 56.450 58.000 -0.019 0.000 0.961 365 F CB 1.801 40.793 39.000 -0.014 0.000 1.239 365 F HN 0.459 nan 8.300 nan 0.000 0.448 366 P HA 0.364 nan 4.420 nan 0.000 0.274 366 P C -2.926 173.981 177.300 -0.656 0.000 1.246 366 P CA -1.338 61.024 63.100 -1.230 0.000 0.795 366 P CB 0.168 31.442 31.700 -0.711 0.000 1.006 367 P HA 0.197 nan 4.420 nan 0.000 0.271 367 P C -0.359 176.792 177.300 -0.249 0.000 1.218 367 P CA 0.141 63.058 63.100 -0.305 0.000 0.780 367 P CB 0.745 32.306 31.700 -0.232 0.000 0.901 368 K N 0.665 120.963 120.400 -0.170 0.000 2.123 368 K HA 0.571 4.894 4.320 0.004 0.000 0.248 368 K C 0.023 176.550 176.600 -0.122 0.000 0.969 368 K CA -0.694 55.512 56.287 -0.135 0.000 0.882 368 K CB 1.378 33.827 32.500 -0.085 0.000 1.080 368 K HN 0.343 nan 8.250 nan 0.000 0.441 369 S N 0.463 116.108 115.700 -0.093 0.000 2.513 369 S HA 0.278 4.750 4.470 0.004 0.000 0.299 369 S C -0.074 174.543 174.600 0.029 0.000 1.087 369 S CA -0.779 57.406 58.200 -0.026 0.000 1.012 369 S CB 0.748 63.942 63.200 -0.011 0.000 1.044 369 S HN 0.560 nan 8.310 nan 0.000 0.485 370 N N 2.792 121.527 118.700 0.058 0.000 2.336 370 N HA 0.209 4.951 4.740 0.004 0.000 0.189 370 N C -0.069 175.495 175.510 0.090 0.000 1.113 370 N CA 0.132 53.219 53.050 0.062 0.000 0.858 370 N CB -0.057 38.463 38.487 0.055 0.000 0.970 370 N HN 0.542 nan 8.380 nan 0.000 0.471 371 L N 0.636 121.929 121.223 0.118 0.000 2.436 371 L HA 0.144 4.486 4.340 0.004 0.000 0.265 371 L C 0.620 177.617 176.870 0.211 0.000 1.168 371 L CA -0.574 54.364 54.840 0.163 0.000 0.815 371 L CB 0.482 42.593 42.059 0.088 0.000 1.109 371 L HN -0.109 nan 8.230 nan 0.000 0.462 372 D N 3.218 123.778 120.400 0.267 0.000 2.338 372 D HA 0.079 4.721 4.640 0.004 0.000 0.255 372 D C -1.497 174.913 176.300 0.184 0.000 1.237 372 D CA -1.882 52.220 54.000 0.170 0.000 0.883 372 D CB 1.267 42.121 40.800 0.089 0.000 1.087 372 D HN 0.198 nan 8.370 nan 0.000 0.485 373 P HA -0.094 nan 4.420 nan 0.000 0.223 373 P C 0.957 178.293 177.300 0.060 0.000 1.151 373 P CA 0.578 63.752 63.100 0.122 0.000 0.787 373 P CB 0.184 31.938 31.700 0.091 0.000 0.788 374 A N -0.246 122.586 122.820 0.019 0.000 2.019 374 A HA -0.113 4.209 4.320 0.004 0.000 0.219 374 A C 2.219 179.751 177.584 -0.086 0.000 1.164 374 A CA 1.200 53.224 52.037 -0.022 0.000 0.644 374 A CB -1.288 17.697 19.000 -0.025 0.000 0.805 374 A HN 0.187 nan 8.150 nan 0.000 0.449 375 I N -3.261 117.202 120.570 -0.179 0.000 2.628 375 I HA -0.047 4.126 4.170 0.004 0.000 0.255 375 I C 1.458 177.299 176.117 -0.460 0.000 1.119 375 I CA 0.841 61.880 61.300 -0.436 0.000 1.448 375 I CB 0.055 37.562 38.000 -0.823 0.000 1.133 375 I HN 0.334 nan 8.210 nan 0.000 0.438 376 Y N 1.003 121.315 120.300 0.020 0.000 2.467 376 Y HA 0.483 5.036 4.550 0.004 0.000 0.250 376 Y C 1.145 177.088 175.900 0.071 0.000 1.155 376 Y CA -0.030 58.084 58.100 0.022 0.000 1.249 376 Y CB 0.125 38.596 38.460 0.018 0.000 1.146 376 Y HN 0.156 nan 8.280 nan 0.000 0.524 377 G N 0.652 109.557 108.800 0.174 0.000 2.756 377 G HA2 -0.248 3.715 3.960 0.004 0.000 0.678 377 G HA3 -0.248 3.715 3.960 0.004 0.000 0.678 377 G C -0.924 174.076 174.900 0.167 0.000 1.349 377 G CA -0.644 44.557 45.100 0.168 0.000 0.847 377 G HN 0.156 nan 8.290 nan 0.000 0.548 378 D N 0.180 120.655 120.400 0.124 0.000 2.581 378 D HA 0.111 4.753 4.640 0.004 0.000 0.238 378 D C 1.437 177.813 176.300 0.127 0.000 1.145 378 D CA 0.406 54.467 54.000 0.101 0.000 0.866 378 D CB 0.608 41.448 40.800 0.067 0.000 1.151 378 D HN 0.365 nan 8.370 nan 0.000 0.500 379 Q N 1.824 121.691 119.800 0.112 0.000 2.247 379 Q HA 0.092 4.434 4.340 0.004 0.000 0.204 379 Q C 0.027 176.034 176.000 0.011 0.000 0.872 379 Q CA -0.082 55.791 55.803 0.116 0.000 0.951 379 Q CB 0.188 29.017 28.738 0.152 0.000 1.099 379 Q HN 0.332 nan 8.270 nan 0.000 0.501 380 S N 1.222 116.925 115.700 0.005 0.000 2.552 380 S HA 0.043 4.515 4.470 0.004 0.000 0.289 380 S C 0.380 174.944 174.600 -0.060 0.000 1.304 380 S CA -0.004 58.172 58.200 -0.040 0.000 1.063 380 S CB 0.861 64.050 63.200 -0.018 0.000 0.848 380 S HN 0.222 nan 8.310 nan 0.000 0.499 381 S N 1.584 117.211 115.700 -0.121 0.000 2.564 381 S HA 0.152 4.624 4.470 0.004 0.000 0.278 381 S C 0.868 175.432 174.600 -0.060 0.000 1.333 381 S CA -0.523 57.604 58.200 -0.122 0.000 1.048 381 S CB 0.287 63.358 63.200 -0.216 0.000 0.900 381 S HN 0.545 nan 8.310 nan 0.000 0.505 382 K N 3.320 123.712 120.400 -0.013 0.000 2.404 382 K HA 0.272 4.595 4.320 0.004 0.000 0.194 382 K C 0.030 176.658 176.600 0.047 0.000 1.023 382 K CA 0.138 56.437 56.287 0.021 0.000 1.094 382 K CB -0.241 32.282 32.500 0.038 0.000 0.841 382 K HN 0.636 nan 8.250 nan 0.000 0.523 383 I N 2.598 123.199 120.570 0.053 0.000 2.471 383 I HA -0.027 4.145 4.170 0.004 0.000 0.286 383 I C 0.704 176.965 176.117 0.239 0.000 1.079 383 I CA -0.104 61.287 61.300 0.152 0.000 1.398 383 I CB 0.741 38.878 38.000 0.228 0.000 1.403 383 I HN -0.030 nan 8.210 nan 0.000 0.530 384 T N 2.620 117.296 114.554 0.202 0.000 2.829 384 T HA 0.501 4.854 4.350 0.004 0.000 0.282 384 T C 0.980 175.769 174.700 0.149 0.000 0.990 384 T CA -0.507 61.711 62.100 0.196 0.000 1.028 384 T CB 1.945 70.868 68.868 0.092 0.000 0.951 384 T HN 0.653 nan 8.240 nan 0.000 0.460 385 A N 2.535 125.426 122.820 0.118 0.000 1.940 385 A HA -0.080 4.242 4.320 0.004 0.000 0.219 385 A C 1.900 179.395 177.584 -0.149 0.000 1.176 385 A CA 1.505 53.407 52.037 -0.225 0.000 0.631 385 A CB -0.743 18.113 19.000 -0.240 0.000 0.814 385 A HN 0.877 nan 8.150 nan 0.000 0.446 386 D N -0.085 120.278 120.400 -0.061 0.000 2.312 386 D HA -0.077 4.565 4.640 0.004 0.000 0.211 386 D C 2.140 178.403 176.300 -0.062 0.000 0.964 386 D CA 1.332 55.295 54.000 -0.061 0.000 0.877 386 D CB -0.210 40.571 40.800 -0.032 0.000 0.924 386 D HN 0.619 nan 8.370 nan 0.000 0.515 387 S N -0.384 115.287 115.700 -0.048 0.000 2.527 387 S HA 0.019 4.492 4.470 0.004 0.000 0.222 387 S C 0.957 175.510 174.600 -0.078 0.000 0.985 387 S CA -0.156 58.017 58.200 -0.046 0.000 0.921 387 S CB -0.173 63.020 63.200 -0.012 0.000 0.772 387 S HN 0.099 nan 8.310 nan 0.000 0.529 388 L N 2.148 123.304 121.223 -0.112 0.000 2.334 388 L HA 0.466 4.809 4.340 0.004 0.000 0.277 388 L C -0.178 176.590 176.870 -0.170 0.000 1.075 388 L CA -0.634 54.121 54.840 -0.142 0.000 0.804 388 L CB 0.720 42.666 42.059 -0.187 0.000 1.174 388 L HN 0.098 nan 8.230 nan 0.000 0.438 389 D N 3.988 124.284 120.400 -0.174 0.000 2.428 389 D HA 0.246 4.888 4.640 0.004 0.000 0.221 389 D C -0.095 176.027 176.300 -0.296 0.000 1.123 389 D CA -0.174 53.711 54.000 -0.191 0.000 0.869 389 D CB 0.935 41.647 40.800 -0.147 0.000 1.032 389 D HN 0.386 nan 8.370 nan 0.000 0.506 390 L N 3.085 124.053 121.223 -0.426 0.000 3.034 390 L HA 0.193 4.535 4.340 0.004 0.000 0.245 390 L C 0.034 176.481 176.870 -0.706 0.000 1.295 390 L CA -0.413 53.847 54.840 -0.965 0.000 1.068 390 L CB -0.041 41.448 42.059 -0.951 0.000 1.426 390 L HN 0.227 nan 8.230 nan 0.000 0.531 391 D N 1.431 121.665 120.400 -0.277 0.000 2.751 391 D HA -0.216 4.426 4.640 0.004 0.000 0.233 391 D C 1.338 177.689 176.300 0.084 0.000 1.149 391 D CA 1.384 55.377 54.000 -0.010 0.000 0.682 391 D CB -1.029 39.877 40.800 0.176 0.000 1.068 391 D HN 0.762 nan 8.370 nan 0.000 0.429 392 G N -1.844 106.950 108.800 -0.009 0.000 2.195 392 G HA2 -0.368 3.595 3.960 0.004 0.000 0.246 392 G HA3 -0.368 3.595 3.960 0.004 0.000 0.246 392 G C 0.183 175.055 174.900 -0.046 0.000 0.984 392 G CA 0.126 45.212 45.100 -0.023 0.000 0.633 392 G HN 0.400 nan 8.290 nan 0.000 0.525 393 Y N 2.514 122.727 120.300 -0.145 0.000 2.411 393 Y HA 0.459 5.010 4.550 0.002 0.000 0.333 393 Y C 1.684 177.502 175.900 -0.138 0.000 1.186 393 Y CA 0.424 58.464 58.100 -0.100 0.000 1.381 393 Y CB 0.753 39.182 38.460 -0.051 0.000 1.273 393 Y HN 0.310 nan 8.280 nan 0.000 0.546 394 T N -0.324 114.239 114.554 0.016 0.000 2.828 394 T HA 0.113 4.465 4.350 0.004 0.000 0.290 394 T C 1.174 175.870 174.700 -0.008 0.000 1.019 394 T CA -0.828 61.258 62.100 -0.023 0.000 1.031 394 T CB 0.740 69.590 68.868 -0.029 0.000 1.001 394 T HN 0.725 nan 8.240 nan 0.000 0.531 395 M N 0.873 120.429 119.600 -0.073 0.000 2.108 395 M HA -0.058 4.424 4.480 0.004 0.000 0.261 395 M C 1.434 177.724 176.300 -0.017 0.000 1.066 395 M CA 1.676 56.915 55.300 -0.102 0.000 1.107 395 M CB -1.345 31.143 32.600 -0.188 0.000 1.356 395 M HN 0.728 nan 8.290 nan 0.000 0.406 396 D N -0.005 120.396 120.400 0.003 0.000 2.144 396 D HA -0.158 4.484 4.640 0.004 0.000 0.199 396 D C 1.955 178.288 176.300 0.055 0.000 0.984 396 D CA 1.461 55.477 54.000 0.026 0.000 0.834 396 D CB -0.234 40.576 40.800 0.018 0.000 0.955 396 D HN 0.567 nan 8.370 nan 0.000 0.465 397 E N 0.411 120.661 120.200 0.083 0.000 2.072 397 E HA -0.093 4.259 4.350 0.004 0.000 0.191 397 E C 2.098 178.850 176.600 0.253 0.000 0.985 397 E CA 0.981 57.479 56.400 0.163 0.000 0.801 397 E CB -0.024 29.776 29.700 0.166 0.000 0.750 397 E HN 0.192 nan 8.360 nan 0.000 0.452 398 A N 1.017 123.982 122.820 0.243 0.000 1.898 398 A HA -0.145 4.178 4.320 0.004 0.000 0.216 398 A C 2.171 179.804 177.584 0.083 0.000 1.181 398 A CA 0.979 53.144 52.037 0.214 0.000 0.620 398 A CB -0.579 18.549 19.000 0.213 0.000 0.819 398 A HN 0.123 nan 8.150 nan 0.000 0.442 399 L N -0.812 120.440 121.223 0.048 0.000 2.017 399 L HA -0.125 4.217 4.340 0.004 0.000 0.208 399 L C 2.826 179.694 176.870 -0.004 0.000 1.073 399 L CA 1.234 56.076 54.840 0.004 0.000 0.745 399 L CB -0.764 41.309 42.059 0.022 0.000 0.894 399 L HN 0.493 nan 8.230 nan 0.000 0.432 400 G N -0.754 108.064 108.800 0.029 0.000 2.422 400 G HA2 -0.218 3.744 3.960 0.004 0.000 0.218 400 G HA3 -0.218 3.744 3.960 0.004 0.000 0.218 400 G C 1.602 176.520 174.900 0.030 0.000 1.140 400 G CA 0.845 45.961 45.100 0.027 0.000 0.775 400 G HN 0.497 nan 8.290 nan 0.000 0.545 401 S N -0.197 115.537 115.700 0.055 0.000 2.593 401 S HA 0.165 4.638 4.470 0.004 0.000 0.217 401 S C 1.059 175.657 174.600 -0.004 0.000 0.966 401 S CA -0.026 58.206 58.200 0.053 0.000 0.914 401 S CB 0.138 63.412 63.200 0.123 0.000 0.776 401 S HN 0.236 nan 8.310 nan 0.000 0.523 402 R N 0.570 121.040 120.500 -0.050 0.000 3.422 402 R HA -0.131 4.212 4.340 0.004 0.000 0.267 402 R C 0.050 176.255 176.300 -0.157 0.000 1.074 402 R CA 0.615 56.636 56.100 -0.132 0.000 0.718 402 R CB -2.535 27.728 30.300 -0.063 0.000 1.157 402 R HN 0.621 nan 8.270 nan 0.000 0.440 403 R N -0.457 119.943 120.500 -0.167 0.000 2.362 403 R HA 0.204 4.546 4.340 0.004 0.000 0.227 403 R C 0.356 176.562 176.300 -0.158 0.000 0.905 403 R CA -0.239 55.751 56.100 -0.183 0.000 1.067 403 R CB 0.424 30.475 30.300 -0.415 0.000 1.078 403 R HN -0.056 nan 8.270 nan 0.000 0.516 404 L N 0.836 121.864 121.223 -0.325 0.000 2.307 404 L HA 0.475 4.817 4.340 0.004 0.000 0.284 404 L C -1.045 175.472 176.870 -0.587 0.000 1.023 404 L CA -0.257 54.469 54.840 -0.190 0.000 0.810 404 L CB 0.900 42.931 42.059 -0.047 0.000 1.231 404 L HN -0.192 nan 8.230 nan 0.000 0.423 405 F N 4.168 124.128 119.950 0.016 0.000 2.664 405 F HA 0.741 5.269 4.527 0.002 0.000 0.329 405 F C -0.162 175.642 175.800 0.007 0.000 1.090 405 F CA -0.716 57.275 58.000 -0.015 0.000 0.978 405 F CB 1.949 40.907 39.000 -0.071 0.000 1.378 405 F HN 0.362 nan 8.300 nan 0.000 0.495 406 M N 2.186 121.882 119.600 0.160 0.000 2.365 406 M HA 0.506 4.989 4.480 0.004 0.000 0.288 406 M C -2.363 173.929 176.300 -0.014 0.000 1.152 406 M CA -0.834 54.510 55.300 0.072 0.000 0.948 406 M CB 1.959 34.586 32.600 0.045 0.000 1.729 406 M HN 0.569 nan 8.290 nan 0.000 0.487 407 L N 4.453 125.640 121.223 -0.059 0.000 2.270 407 L HA 0.463 4.806 4.340 0.004 0.000 0.286 407 L C -1.129 175.580 176.870 -0.268 0.000 1.059 407 L CA 0.415 55.134 54.840 -0.202 0.000 0.839 407 L CB 0.526 42.483 42.059 -0.170 0.000 1.221 407 L HN 0.642 nan 8.230 nan 0.000 0.431 408 D N 3.363 123.546 120.400 -0.362 0.000 2.473 408 D HA 0.154 4.796 4.640 0.004 0.000 0.226 408 D C -0.311 175.811 176.300 -0.296 0.000 1.089 408 D CA -0.060 53.807 54.000 -0.222 0.000 0.883 408 D CB 0.441 41.176 40.800 -0.108 0.000 1.029 408 D HN 0.420 nan 8.370 nan 0.000 0.517 409 Y N 1.923 122.274 120.300 0.086 0.000 2.524 409 Y HA 0.084 4.636 4.550 0.004 0.000 0.266 409 Y C 1.946 177.984 175.900 0.230 0.000 1.180 409 Y CA -0.282 57.918 58.100 0.167 0.000 1.244 409 Y CB -0.198 38.343 38.460 0.135 0.000 1.125 409 Y HN 0.619 nan 8.280 nan 0.000 0.524 410 H N 0.585 119.766 119.070 0.185 0.000 2.270 410 H HA -0.135 4.424 4.556 0.004 0.000 0.299 410 H C 0.746 176.142 175.328 0.112 0.000 1.077 410 H CA 2.231 58.359 56.048 0.133 0.000 1.294 410 H CB 0.193 29.990 29.762 0.058 0.000 1.371 410 H HN 0.232 nan 8.280 nan 0.000 0.491 411 D N 0.248 120.789 120.400 0.235 0.000 2.224 411 D HA -0.034 4.609 4.640 0.004 0.000 0.205 411 D C 2.489 178.845 176.300 0.092 0.000 0.965 411 D CA 0.443 54.513 54.000 0.117 0.000 0.852 411 D CB -0.064 40.825 40.800 0.149 0.000 0.947 411 D HN 0.439 nan 8.370 nan 0.000 0.494 412 I N -0.487 120.197 120.570 0.191 0.000 2.202 412 I HA -0.235 3.937 4.170 0.004 0.000 0.242 412 I C 1.686 177.865 176.117 0.103 0.000 1.091 412 I CA 0.969 62.388 61.300 0.197 0.000 1.368 412 I CB -0.067 38.136 38.000 0.338 0.000 1.058 412 I HN -0.084 nan 8.210 nan 0.000 0.410 413 F N -0.708 119.312 119.950 0.116 0.000 2.473 413 F HA -0.044 4.485 4.527 0.004 0.000 0.294 413 F C 2.298 178.097 175.800 -0.001 0.000 1.103 413 F CA 0.513 58.568 58.000 0.092 0.000 1.442 413 F CB -0.254 38.793 39.000 0.078 0.000 1.097 413 F HN -0.012 nan 8.300 nan 0.000 0.547 414 M N 1.488 121.069 119.600 -0.031 0.000 2.106 414 M HA -0.118 4.365 4.480 0.004 0.000 0.259 414 M C -1.142 174.990 176.300 -0.281 0.000 1.068 414 M CA 2.135 57.273 55.300 -0.271 0.000 1.100 414 M CB -1.650 30.570 32.600 -0.633 0.000 1.351 414 M HN -0.190 nan 8.290 nan 0.000 0.404 415 P HA -0.124 nan 4.420 nan 0.000 0.223 415 P C 0.414 177.570 177.300 -0.240 0.000 1.144 415 P CA 1.416 64.435 63.100 -0.134 0.000 0.783 415 P CB -0.217 31.427 31.700 -0.093 0.000 0.771 416 Y N -2.652 117.615 120.300 -0.055 0.000 2.445 416 Y HA 0.065 4.617 4.550 0.004 0.000 0.247 416 Y C 2.070 177.942 175.900 -0.048 0.000 1.129 416 Y CA -0.059 57.991 58.100 -0.084 0.000 1.251 416 Y CB -0.125 38.273 38.460 -0.104 0.000 1.176 416 Y HN -0.302 nan 8.280 nan 0.000 0.522 417 V N 0.399 120.375 119.914 0.104 0.000 2.343 417 V HA -0.325 3.798 4.120 0.004 0.000 0.247 417 V C 2.496 178.596 176.094 0.011 0.000 1.051 417 V CA 2.258 64.599 62.300 0.069 0.000 1.036 417 V CB -0.426 31.410 31.823 0.021 0.000 0.654 417 V HN 0.336 nan 8.190 nan 0.000 0.451 418 R N 0.392 120.885 120.500 -0.012 0.000 2.083 418 R HA -0.235 4.107 4.340 0.004 0.000 0.237 418 R C 2.535 178.814 176.300 -0.034 0.000 1.137 418 R CA 2.163 58.246 56.100 -0.028 0.000 0.951 418 R CB -0.309 29.975 30.300 -0.027 0.000 0.851 418 R HN 0.793 nan 8.270 nan 0.000 0.434 419 Q N -0.056 119.690 119.800 -0.090 0.000 2.123 419 Q HA -0.140 4.202 4.340 0.004 0.000 0.199 419 Q C 2.121 178.124 176.000 0.005 0.000 0.966 419 Q CA 1.435 57.160 55.803 -0.129 0.000 0.845 419 Q CB -0.325 28.147 28.738 -0.444 0.000 0.907 419 Q HN 0.434 nan 8.270 nan 0.000 0.439 420 I N 1.942 122.537 120.570 0.042 0.000 2.163 420 I HA -0.262 3.910 4.170 0.004 0.000 0.243 420 I C 1.515 177.698 176.117 0.110 0.000 1.085 420 I CA 1.230 62.629 61.300 0.164 0.000 1.347 420 I CB -0.340 37.766 38.000 0.176 0.000 1.044 420 I HN 0.245 nan 8.210 nan 0.000 0.408 421 N N 0.290 119.019 118.700 0.049 0.000 2.459 421 N HA -0.127 4.615 4.740 0.004 0.000 0.181 421 N C 1.642 177.168 175.510 0.026 0.000 1.046 421 N CA 0.632 53.690 53.050 0.013 0.000 0.904 421 N CB -0.150 38.313 38.487 -0.040 0.000 0.964 421 N HN 0.334 nan 8.380 nan 0.000 0.444 422 Q N 0.136 119.965 119.800 0.048 0.000 2.436 422 Q HA 0.092 4.434 4.340 0.004 0.000 0.209 422 Q C 0.273 176.316 176.000 0.070 0.000 0.965 422 Q CA 0.202 56.038 55.803 0.055 0.000 0.910 422 Q CB 0.070 28.847 28.738 0.065 0.000 0.980 422 Q HN 0.432 nan 8.270 nan 0.000 0.491 423 L N 2.094 123.373 121.223 0.092 0.000 2.439 423 L HA 0.078 4.420 4.340 0.004 0.000 0.269 423 L C 0.592 177.488 176.870 0.044 0.000 1.179 423 L CA -0.492 54.394 54.840 0.077 0.000 0.828 423 L CB 0.209 42.327 42.059 0.098 0.000 1.106 423 L HN 0.006 nan 8.230 nan 0.000 0.467 424 N N 0.952 119.669 118.700 0.029 0.000 2.454 424 N HA -0.047 4.695 4.740 0.004 0.000 0.254 424 N C 0.650 176.167 175.510 0.011 0.000 1.228 424 N CA 0.153 53.213 53.050 0.016 0.000 0.900 424 N CB 0.870 39.362 38.487 0.008 0.000 1.089 424 N HN 0.644 nan 8.380 nan 0.000 0.449 425 S N -1.448 114.256 115.700 0.007 0.000 3.419 425 S HA -0.211 4.261 4.470 0.004 0.000 0.350 425 S C -0.095 174.508 174.600 0.005 0.000 1.128 425 S CA 1.033 59.234 58.200 0.000 0.000 0.999 425 S CB -1.140 62.052 63.200 -0.014 0.000 0.923 425 S HN 0.901 nan 8.310 nan 0.000 0.522 426 A N 0.624 123.456 122.820 0.021 0.000 2.356 426 A HA 0.757 5.079 4.320 0.004 0.000 0.310 426 A C -0.327 177.272 177.584 0.025 0.000 1.075 426 A CA -0.679 51.377 52.037 0.032 0.000 0.746 426 A CB 1.223 20.260 19.000 0.061 0.000 1.221 426 A HN 0.079 nan 8.150 nan 0.000 0.443 427 K N 1.218 121.629 120.400 0.019 0.000 2.553 427 K HA 0.656 4.978 4.320 0.004 0.000 0.250 427 K C -1.087 175.494 176.600 -0.032 0.000 0.953 427 K CA -0.330 55.939 56.287 -0.031 0.000 0.800 427 K CB 1.986 34.452 32.500 -0.057 0.000 1.243 427 K HN 0.735 nan 8.250 nan 0.000 0.435 428 T N 1.047 115.530 114.554 -0.117 0.000 2.865 428 T HA 0.721 5.073 4.350 0.004 0.000 0.294 428 T C -1.422 173.085 174.700 -0.322 0.000 1.119 428 T CA -0.428 61.619 62.100 -0.088 0.000 1.007 428 T CB 0.768 69.659 68.868 0.039 0.000 1.225 428 T HN 0.332 nan 8.240 nan 0.000 0.515 429 Y N 0.252 120.474 120.300 -0.131 0.000 2.549 429 Y HA 0.694 5.247 4.550 0.004 0.000 0.339 429 Y C 0.466 176.312 175.900 -0.089 0.000 1.053 429 Y CA -1.087 56.933 58.100 -0.134 0.000 1.105 429 Y CB 1.710 40.043 38.460 -0.211 0.000 1.258 429 Y HN 0.761 nan 8.280 nan 0.000 0.478 430 A N 1.558 124.460 122.820 0.136 0.000 2.279 430 A HA 0.513 4.836 4.320 0.004 0.000 0.306 430 A C 0.044 177.708 177.584 0.133 0.000 1.300 430 A CA -0.356 51.740 52.037 0.098 0.000 0.925 430 A CB -0.673 18.316 19.000 -0.018 0.000 1.152 430 A HN 0.690 nan 8.150 nan 0.000 0.544 431 T N 0.581 115.214 114.554 0.132 0.000 2.929 431 T HA 0.719 5.072 4.350 0.004 0.000 0.284 431 T C -0.220 174.601 174.700 0.201 0.000 1.014 431 T CA -0.796 61.395 62.100 0.152 0.000 1.051 431 T CB 1.348 70.293 68.868 0.128 0.000 1.028 431 T HN 0.722 nan 8.240 nan 0.000 0.485 432 R N 0.921 121.515 120.500 0.158 0.000 2.574 432 R HA 0.514 4.856 4.340 0.004 0.000 0.288 432 R C -1.401 174.978 176.300 0.132 0.000 1.004 432 R CA -0.503 55.671 56.100 0.122 0.000 0.895 432 R CB 2.010 32.367 30.300 0.095 0.000 1.191 432 R HN 0.832 nan 8.270 nan 0.000 0.444 433 T N 5.320 119.950 114.554 0.126 0.000 2.792 433 T HA 0.435 4.787 4.350 0.004 0.000 0.280 433 T C -0.160 174.643 174.700 0.172 0.000 0.990 433 T CA -0.609 61.603 62.100 0.188 0.000 0.960 433 T CB 0.854 69.852 68.868 0.217 0.000 0.939 433 T HN 0.305 nan 8.240 nan 0.000 0.439 434 I N 4.211 124.915 120.570 0.222 0.000 2.353 434 I HA 0.427 4.599 4.170 0.004 0.000 0.293 434 I C -0.182 176.074 176.117 0.232 0.000 0.992 434 I CA -0.818 60.612 61.300 0.217 0.000 1.268 434 I CB 0.792 38.939 38.000 0.244 0.000 1.387 434 I HN 0.489 nan 8.210 nan 0.000 0.478 435 L N 6.238 127.593 121.223 0.219 0.000 2.342 435 L HA 0.513 4.855 4.340 0.004 0.000 0.271 435 L C -0.674 176.373 176.870 0.296 0.000 1.008 435 L CA -0.539 54.438 54.840 0.228 0.000 0.818 435 L CB 2.074 44.225 42.059 0.154 0.000 1.296 435 L HN 0.349 nan 8.230 nan 0.000 0.427 436 F N 2.869 122.875 119.950 0.093 0.000 2.467 436 F HA 0.569 5.098 4.527 0.003 0.000 0.336 436 F C -0.808 175.017 175.800 0.041 0.000 1.123 436 F CA -1.024 57.007 58.000 0.051 0.000 0.964 436 F CB 1.539 40.526 39.000 -0.022 0.000 1.136 436 F HN 0.267 nan 8.300 nan 0.000 0.447 437 L N 7.616 128.458 121.223 -0.633 0.000 2.342 437 L HA 0.419 4.761 4.340 0.004 0.000 0.285 437 L C -0.018 176.244 176.870 -1.012 0.000 1.095 437 L CA 0.096 54.580 54.840 -0.592 0.000 0.843 437 L CB -0.038 41.853 42.059 -0.281 0.000 1.201 437 L HN 0.625 nan 8.230 nan 0.000 0.445 438 R N 3.470 123.663 120.500 -0.512 0.000 2.707 438 R HA 0.090 4.432 4.340 0.004 0.000 0.270 438 R C 0.889 177.076 176.300 -0.188 0.000 1.083 438 R CA -0.328 55.626 56.100 -0.244 0.000 1.182 438 R CB 0.442 30.748 30.300 0.011 0.000 1.084 438 R HN 0.639 nan 8.270 nan 0.000 0.528 439 E N 1.091 121.267 120.200 -0.039 0.000 2.204 439 E HA -0.206 4.146 4.350 0.004 0.000 0.195 439 E C 0.966 177.565 176.600 -0.001 0.000 0.990 439 E CA 1.475 57.879 56.400 0.007 0.000 0.821 439 E CB -0.019 29.749 29.700 0.113 0.000 0.750 439 E HN 0.597 nan 8.360 nan 0.000 0.477 440 D N -0.569 119.833 120.400 0.004 0.000 2.378 440 D HA -0.043 4.599 4.640 0.004 0.000 0.227 440 D C 1.289 177.576 176.300 -0.023 0.000 1.012 440 D CA 0.899 54.900 54.000 0.002 0.000 0.905 440 D CB -0.023 40.787 40.800 0.016 0.000 0.895 440 D HN 0.212 nan 8.370 nan 0.000 0.532 441 G N -0.247 108.518 108.800 -0.058 0.000 2.176 441 G HA2 -0.263 3.699 3.960 0.004 0.000 0.253 441 G HA3 -0.263 3.699 3.960 0.004 0.000 0.253 441 G C 0.459 175.300 174.900 -0.098 0.000 0.979 441 G CA 0.632 45.684 45.100 -0.080 0.000 0.641 441 G HN 0.844 nan 8.290 nan 0.000 0.530 442 T N -0.825 113.680 114.554 -0.081 0.000 2.922 442 T HA 0.733 5.085 4.350 0.004 0.000 0.285 442 T C 0.439 175.076 174.700 -0.105 0.000 1.005 442 T CA -0.850 61.203 62.100 -0.078 0.000 1.061 442 T CB 2.137 70.989 68.868 -0.027 0.000 1.007 442 T HN 0.469 nan 8.240 nan 0.000 0.502 443 L N 2.201 123.357 121.223 -0.112 0.000 2.350 443 L HA 0.505 4.847 4.340 0.004 0.000 0.275 443 L C 0.542 177.422 176.870 0.018 0.000 1.099 443 L CA -0.751 54.034 54.840 -0.092 0.000 0.808 443 L CB 0.978 42.945 42.059 -0.154 0.000 1.149 443 L HN 0.807 nan 8.230 nan 0.000 0.442 444 K N 3.139 123.594 120.400 0.093 0.000 2.378 444 K HA 0.610 4.932 4.320 0.004 0.000 0.252 444 K C -2.898 173.837 176.600 0.224 0.000 0.931 444 K CA -1.966 54.420 56.287 0.164 0.000 0.794 444 K CB 2.188 34.786 32.500 0.164 0.000 1.181 444 K HN 0.135 nan 8.250 nan 0.000 0.425 445 P HA -0.001 nan 4.420 nan 0.000 0.281 445 P C 0.455 177.939 177.300 0.307 0.000 1.252 445 P CA -0.548 62.805 63.100 0.421 0.000 0.778 445 P CB 1.460 33.608 31.700 0.747 0.000 0.895 446 V N -0.169 119.900 119.914 0.258 0.000 3.548 446 V HA 0.733 4.855 4.120 0.004 0.000 0.279 446 V C 0.336 176.485 176.094 0.093 0.000 1.446 446 V CA 0.290 62.643 62.300 0.089 0.000 1.023 446 V CB -0.185 31.663 31.823 0.042 0.000 0.820 446 V HN 0.678 nan 8.190 nan 0.000 0.438 447 A N 0.033 123.019 122.820 0.276 0.000 2.594 447 A HA 0.812 5.134 4.320 0.004 0.000 0.296 447 A C -1.537 176.292 177.584 0.409 0.000 1.056 447 A CA -0.418 51.804 52.037 0.308 0.000 0.693 447 A CB 1.334 20.455 19.000 0.201 0.000 1.278 447 A HN 0.281 nan 8.150 nan 0.000 0.408 448 I N 1.170 121.984 120.570 0.408 0.000 2.466 448 I HA 0.377 4.549 4.170 0.004 0.000 0.289 448 I C -0.205 176.000 176.117 0.147 0.000 1.026 448 I CA -0.226 61.216 61.300 0.238 0.000 1.078 448 I CB 2.079 40.149 38.000 0.117 0.000 1.249 448 I HN 0.831 nan 8.210 nan 0.000 0.429 449 E N 7.216 127.481 120.200 0.108 0.000 2.134 449 E HA 0.465 4.818 4.350 0.004 0.000 0.278 449 E C -1.351 175.256 176.600 0.011 0.000 0.959 449 E CA -0.593 55.844 56.400 0.061 0.000 0.783 449 E CB 1.119 30.866 29.700 0.077 0.000 1.095 449 E HN 0.517 nan 8.360 nan 0.000 0.399 450 L N 4.110 125.266 121.223 -0.112 0.000 2.297 450 L HA 0.341 4.684 4.340 0.004 0.000 0.277 450 L C -0.496 176.317 176.870 -0.094 0.000 1.040 450 L CA -0.515 54.114 54.840 -0.351 0.000 0.867 450 L CB 1.230 42.653 42.059 -1.060 0.000 1.244 450 L HN 0.420 nan 8.230 nan 0.000 0.433 451 S N 3.780 119.561 115.700 0.136 0.000 2.525 451 S HA 0.747 5.220 4.470 0.004 0.000 0.290 451 S C -0.236 174.490 174.600 0.210 0.000 1.152 451 S CA -0.550 57.775 58.200 0.209 0.000 1.072 451 S CB 1.857 65.203 63.200 0.243 0.000 1.027 451 S HN 0.348 nan 8.310 nan 0.000 0.500 452 L N 3.353 124.658 121.223 0.137 0.000 2.370 452 L HA 0.561 4.903 4.340 0.004 0.000 0.266 452 L C -2.405 174.271 176.870 -0.323 0.000 1.002 452 L CA -2.548 52.240 54.840 -0.088 0.000 0.818 452 L CB 2.284 44.271 42.059 -0.119 0.000 1.325 452 L HN 0.381 nan 8.230 nan 0.000 0.418 453 P HA 0.223 nan 4.420 nan 0.000 0.274 453 P C -1.473 175.512 177.300 -0.526 0.000 1.231 453 P CA -0.195 62.795 63.100 -0.184 0.000 0.790 453 P CB 0.647 32.389 31.700 0.069 0.000 0.951 454 H N -0.951 118.188 119.070 0.114 0.000 2.667 454 H HA 0.541 5.099 4.556 0.004 0.000 0.353 454 H C -0.204 175.150 175.328 0.044 0.000 1.072 454 H CA -0.476 55.613 56.048 0.069 0.000 1.214 454 H CB 1.669 31.470 29.762 0.065 0.000 1.600 454 H HN 0.401 nan 8.280 nan 0.000 0.527 455 S N 1.177 116.946 115.700 0.115 0.000 2.595 455 S HA 0.638 5.111 4.470 0.004 0.000 0.281 455 S C 1.081 175.711 174.600 0.050 0.000 1.117 455 S CA -0.352 57.878 58.200 0.050 0.000 0.873 455 S CB 1.849 65.045 63.200 -0.007 0.000 1.108 455 S HN 0.727 nan 8.310 nan 0.000 0.477 456 A N 1.765 124.602 122.820 0.028 0.000 1.927 456 A HA 0.069 4.392 4.320 0.004 0.000 0.220 456 A C 1.864 179.461 177.584 0.023 0.000 1.185 456 A CA 2.041 54.092 52.037 0.023 0.000 0.639 456 A CB -1.579 17.427 19.000 0.010 0.000 0.820 456 A HN 1.547 nan 8.150 nan 0.000 0.451 457 G N -0.584 108.225 108.800 0.015 0.000 3.383 457 G HA2 0.295 4.257 3.960 0.004 0.000 0.251 457 G HA3 0.295 4.257 3.960 0.004 0.000 0.251 457 G C -0.522 174.389 174.900 0.019 0.000 1.203 457 G CA -0.081 45.027 45.100 0.013 0.000 0.852 457 G HN 0.333 nan 8.290 nan 0.000 0.531 458 D N 0.345 120.765 120.400 0.033 0.000 2.458 458 D HA 0.098 4.740 4.640 0.004 0.000 0.243 458 D C 1.571 177.893 176.300 0.036 0.000 1.146 458 D CA -0.096 53.928 54.000 0.040 0.000 0.877 458 D CB 1.702 42.546 40.800 0.073 0.000 1.176 458 D HN 0.007 nan 8.370 nan 0.000 0.461 459 L N 1.237 122.477 121.223 0.028 0.000 2.131 459 L HA -0.049 4.294 4.340 0.004 0.000 0.206 459 L C 1.447 178.336 176.870 0.032 0.000 1.087 459 L CA 0.663 55.519 54.840 0.025 0.000 0.767 459 L CB -0.182 41.888 42.059 0.019 0.000 0.917 459 L HN 0.228 nan 8.230 nan 0.000 0.441 460 S N -0.100 115.621 115.700 0.036 0.000 2.548 460 S HA 0.378 4.850 4.470 0.004 0.000 0.277 460 S C 0.835 175.474 174.600 0.064 0.000 1.315 460 S CA -0.102 58.122 58.200 0.041 0.000 1.050 460 S CB 1.624 64.840 63.200 0.028 0.000 0.918 460 S HN 0.235 nan 8.310 nan 0.000 0.497 461 A N 4.000 126.855 122.820 0.058 0.000 2.308 461 A HA 0.613 4.935 4.320 0.004 0.000 0.217 461 A C 1.051 178.685 177.584 0.084 0.000 1.216 461 A CA 0.274 52.349 52.037 0.064 0.000 0.864 461 A CB -0.645 18.380 19.000 0.043 0.000 0.902 461 A HN 1.208 nan 8.150 nan 0.000 0.499 462 A N 0.405 123.281 122.820 0.093 0.000 2.498 462 A HA 0.467 4.790 4.320 0.004 0.000 0.239 462 A C 0.481 178.190 177.584 0.209 0.000 1.068 462 A CA 0.575 52.683 52.037 0.119 0.000 0.766 462 A CB -0.228 18.815 19.000 0.071 0.000 1.003 462 A HN 1.330 nan 8.150 nan 0.000 0.497 463 V N 0.170 120.209 119.914 0.208 0.000 3.046 463 V HA 0.764 4.886 4.120 0.004 0.000 0.316 463 V C 0.277 176.540 176.094 0.281 0.000 1.104 463 V CA -0.749 61.700 62.300 0.247 0.000 1.006 463 V CB 1.373 33.242 31.823 0.077 0.000 1.058 463 V HN 0.853 nan 8.190 nan 0.000 0.440 464 S N 2.400 118.289 115.700 0.315 0.000 2.573 464 S HA 0.459 4.931 4.470 0.004 0.000 0.277 464 S C -0.165 174.503 174.600 0.114 0.000 1.346 464 S CA -0.349 57.991 58.200 0.234 0.000 1.034 464 S CB 0.213 63.561 63.200 0.247 0.000 0.879 464 S HN 1.046 nan 8.310 nan 0.000 0.528 465 Q N -0.765 119.053 119.800 0.030 0.000 2.534 465 Q HA 0.686 5.028 4.340 0.004 0.000 0.290 465 Q C -2.027 173.970 176.000 -0.005 0.000 0.991 465 Q CA -1.052 54.760 55.803 0.015 0.000 0.783 465 Q CB 1.203 29.954 28.738 0.021 0.000 1.470 465 Q HN 0.372 nan 8.270 nan 0.000 0.406 466 V N 1.223 121.159 119.914 0.035 0.000 2.459 466 V HA 0.572 4.694 4.120 0.004 0.000 0.295 466 V C -0.587 175.561 176.094 0.089 0.000 1.029 466 V CA -0.608 61.731 62.300 0.064 0.000 0.874 466 V CB 1.665 33.534 31.823 0.077 0.000 0.985 466 V HN 0.617 nan 8.190 nan 0.000 0.438 467 V N 6.106 126.108 119.914 0.147 0.000 2.540 467 V HA 0.550 4.673 4.120 0.004 0.000 0.302 467 V C -0.271 176.015 176.094 0.319 0.000 1.035 467 V CA -0.534 61.903 62.300 0.228 0.000 0.873 467 V CB 1.792 33.778 31.823 0.270 0.000 0.992 467 V HN 0.634 nan 8.190 nan 0.000 0.428 468 L N 4.767 126.073 121.223 0.138 0.000 2.334 468 L HA 0.600 4.943 4.340 0.004 0.000 0.270 468 L C -2.433 174.056 176.870 -0.635 0.000 1.018 468 L CA -2.146 52.603 54.840 -0.151 0.000 0.811 468 L CB 2.068 44.047 42.059 -0.134 0.000 1.271 468 L HN 0.389 nan 8.230 nan 0.000 0.443 469 P HA 0.170 nan 4.420 nan 0.000 0.266 469 P C -1.235 175.600 177.300 -0.775 0.000 1.195 469 P CA 0.024 62.087 63.100 -1.728 0.000 0.768 469 P CB 0.721 31.716 31.700 -1.175 0.000 0.838 470 A N 2.754 125.212 122.820 -0.602 0.000 2.547 470 A HA 0.422 4.744 4.320 0.004 0.000 0.297 470 A C 0.240 177.744 177.584 -0.132 0.000 1.056 470 A CA -0.568 51.325 52.037 -0.240 0.000 0.688 470 A CB 1.354 20.286 19.000 -0.113 0.000 1.282 470 A HN 0.423 nan 8.150 nan 0.000 0.400 471 K N 0.319 120.658 120.400 -0.103 0.000 2.367 471 K HA 0.175 4.498 4.320 0.004 0.000 0.195 471 K C -0.094 176.466 176.600 -0.066 0.000 1.060 471 K CA 0.614 56.859 56.287 -0.069 0.000 1.022 471 K CB 0.704 33.162 32.500 -0.070 0.000 0.894 471 K HN 0.781 nan 8.250 nan 0.000 0.540 472 E N -0.066 120.096 120.200 -0.064 0.000 2.277 472 E HA 0.462 4.814 4.350 0.004 0.000 0.266 472 E C -0.094 176.473 176.600 -0.054 0.000 0.901 472 E CA -0.605 55.758 56.400 -0.062 0.000 0.782 472 E CB 1.927 31.597 29.700 -0.051 0.000 1.228 472 E HN 0.169 nan 8.360 nan 0.000 0.424 473 G N 0.039 108.802 108.800 -0.061 0.000 2.698 473 G HA2 -0.297 3.666 3.960 0.004 0.000 0.233 473 G HA3 -0.297 3.666 3.960 0.004 0.000 0.233 473 G C 0.674 175.546 174.900 -0.047 0.000 1.352 473 G CA -0.259 44.815 45.100 -0.044 0.000 0.879 473 G HN 0.548 nan 8.290 nan 0.000 0.567 474 V N 0.445 120.342 119.914 -0.028 0.000 2.490 474 V HA -0.097 4.026 4.120 0.004 0.000 0.250 474 V C 2.665 178.750 176.094 -0.014 0.000 1.061 474 V CA 3.334 65.606 62.300 -0.048 0.000 1.064 474 V CB -0.619 31.163 31.823 -0.068 0.000 0.670 474 V HN 0.750 nan 8.190 nan 0.000 0.461 475 E N 0.739 120.949 120.200 0.017 0.000 2.153 475 E HA -0.164 4.188 4.350 0.004 0.000 0.194 475 E C 2.382 179.024 176.600 0.071 0.000 0.988 475 E CA 1.546 57.974 56.400 0.047 0.000 0.811 475 E CB -0.412 29.303 29.700 0.026 0.000 0.746 475 E HN 0.840 nan 8.360 nan 0.000 0.466 476 S N -0.493 115.225 115.700 0.030 0.000 2.402 476 S HA -0.126 4.346 4.470 0.004 0.000 0.229 476 S C 2.003 176.655 174.600 0.085 0.000 1.021 476 S CA 1.411 59.648 58.200 0.062 0.000 0.974 476 S CB -0.551 62.637 63.200 -0.021 0.000 0.800 476 S HN 0.155 nan 8.310 nan 0.000 0.484 477 T N 2.651 117.221 114.554 0.028 0.000 2.857 477 T HA 0.189 4.541 4.350 0.004 0.000 0.266 477 T C 1.704 176.468 174.700 0.107 0.000 1.048 477 T CA 1.313 63.450 62.100 0.061 0.000 1.139 477 T CB -0.428 68.459 68.868 0.030 0.000 0.874 477 T HN 0.406 nan 8.240 nan 0.000 0.455 478 I N 0.177 120.808 120.570 0.101 0.000 2.286 478 I HA -0.151 4.021 4.170 0.004 0.000 0.248 478 I C 2.443 178.670 176.117 0.184 0.000 1.115 478 I CA 1.149 62.530 61.300 0.134 0.000 1.392 478 I CB -0.283 37.792 38.000 0.126 0.000 1.065 478 I HN 0.454 nan 8.210 nan 0.000 0.418 479 W N 1.607 122.913 121.300 0.009 0.000 2.381 479 W HA -0.237 4.425 4.660 0.004 0.000 0.301 479 W C 2.301 178.805 176.519 -0.026 0.000 1.205 479 W CA 1.018 58.353 57.345 -0.018 0.000 1.285 479 W CB -0.125 29.307 29.460 -0.046 0.000 1.133 479 W HN 0.143 nan 8.180 nan 0.000 0.521 480 L N 1.506 122.714 121.223 -0.026 0.000 2.046 480 L HA -0.190 4.152 4.340 0.004 0.000 0.208 480 L C 2.436 179.310 176.870 0.005 0.000 1.077 480 L CA 1.906 56.698 54.840 -0.080 0.000 0.747 480 L CB -1.081 41.034 42.059 0.094 0.000 0.896 480 L HN -0.031 nan 8.230 nan 0.000 0.432 481 L N -0.775 120.484 121.223 0.060 0.000 2.056 481 L HA -0.152 4.191 4.340 0.004 0.000 0.207 481 L C 2.699 179.509 176.870 -0.101 0.000 1.078 481 L CA 1.074 55.888 54.840 -0.044 0.000 0.749 481 L CB -0.939 41.153 42.059 0.056 0.000 0.901 481 L HN 0.371 nan 8.230 nan 0.000 0.433 482 A N 0.254 123.053 122.820 -0.035 0.000 1.908 482 A HA -0.247 4.075 4.320 0.004 0.000 0.218 482 A C 2.326 179.765 177.584 -0.241 0.000 1.181 482 A CA 1.834 53.840 52.037 -0.051 0.000 0.627 482 A CB -0.383 18.535 19.000 -0.137 0.000 0.818 482 A HN 0.338 nan 8.150 nan 0.000 0.445 483 K N -0.463 119.594 120.400 -0.571 0.000 2.097 483 K HA -0.048 4.274 4.320 0.004 0.000 0.206 483 K C 2.306 178.796 176.600 -0.183 0.000 1.049 483 K CA 1.031 56.943 56.287 -0.625 0.000 0.933 483 K CB -0.322 31.516 32.500 -1.103 0.000 0.717 483 K HN 0.458 nan 8.250 nan 0.000 0.442 484 A N 0.739 123.456 122.820 -0.171 0.000 1.902 484 A HA -0.175 4.147 4.320 0.004 0.000 0.217 484 A C 1.839 179.291 177.584 -0.221 0.000 1.181 484 A CA 1.304 53.217 52.037 -0.208 0.000 0.623 484 A CB -0.709 18.004 19.000 -0.479 0.000 0.818 484 A HN 0.253 nan 8.150 nan 0.000 0.443 485 Y N -0.254 120.008 120.300 -0.064 0.000 2.242 485 Y HA -0.137 4.415 4.550 0.003 0.000 0.291 485 Y C 2.597 178.475 175.900 -0.037 0.000 1.137 485 Y CA 1.103 59.189 58.100 -0.023 0.000 1.181 485 Y CB -0.777 37.718 38.460 0.058 0.000 0.989 485 Y HN 0.090 nan 8.280 nan 0.000 0.527 486 V N -0.078 119.922 119.914 0.144 0.000 2.287 486 V HA -0.298 3.824 4.120 0.004 0.000 0.248 486 V C 2.185 178.348 176.094 0.115 0.000 1.053 486 V CA 1.529 63.925 62.300 0.160 0.000 1.027 486 V CB -0.574 31.421 31.823 0.287 0.000 0.646 486 V HN 0.322 nan 8.190 nan 0.000 0.447 487 I N -0.334 120.313 120.570 0.128 0.000 2.546 487 I HA -0.119 4.053 4.170 0.004 0.000 0.255 487 I C 2.419 178.540 176.117 0.006 0.000 1.163 487 I CA 1.138 62.491 61.300 0.088 0.000 1.457 487 I CB -1.121 36.950 38.000 0.118 0.000 1.092 487 I HN 0.165 nan 8.210 nan 0.000 0.434 488 V N 1.387 121.277 119.914 -0.040 0.000 2.295 488 V HA -0.287 3.835 4.120 0.004 0.000 0.246 488 V C 2.186 178.216 176.094 -0.106 0.000 1.049 488 V CA 1.927 64.194 62.300 -0.056 0.000 1.024 488 V CB -0.890 30.897 31.823 -0.059 0.000 0.648 488 V HN 0.479 nan 8.190 nan 0.000 0.447 489 N N -0.074 118.444 118.700 -0.303 0.000 2.069 489 N HA -0.251 4.491 4.740 0.004 0.000 0.191 489 N C 1.669 176.867 175.510 -0.521 0.000 1.031 489 N CA 1.701 54.283 53.050 -0.779 0.000 0.852 489 N CB -0.176 37.686 38.487 -1.042 0.000 1.018 489 N HN 0.560 nan 8.380 nan 0.000 0.423 490 D N 0.068 120.300 120.400 -0.281 0.000 2.144 490 D HA -0.024 4.618 4.640 0.004 0.000 0.200 490 D C 1.779 178.187 176.300 0.179 0.000 0.978 490 D CA 0.866 54.863 54.000 -0.004 0.000 0.833 490 D CB 0.170 41.079 40.800 0.182 0.000 0.961 490 D HN 0.011 nan 8.370 nan 0.000 0.470 491 S N -1.088 114.712 115.700 0.166 0.000 2.383 491 S HA -0.138 4.335 4.470 0.004 0.000 0.227 491 S C 2.159 177.024 174.600 0.443 0.000 1.026 491 S CA 0.637 59.024 58.200 0.312 0.000 0.981 491 S CB -0.276 63.074 63.200 0.252 0.000 0.818 491 S HN 0.483 nan 8.310 nan 0.000 0.472 492 C N 0.123 119.651 119.300 0.379 0.000 2.453 492 C HA -0.023 4.439 4.460 0.004 0.000 0.277 492 C C 2.323 177.455 174.990 0.235 0.000 1.262 492 C CA 0.305 59.538 59.018 0.359 0.000 1.718 492 C CB -1.265 26.741 27.740 0.443 0.000 2.031 492 C HN 0.684 nan 8.230 nan 0.000 0.480 493 Y N 0.473 120.884 120.300 0.185 0.000 2.181 493 Y HA -0.208 4.344 4.550 0.004 0.000 0.288 493 Y C 2.829 178.842 175.900 0.187 0.000 1.146 493 Y CA 2.214 60.418 58.100 0.173 0.000 1.164 493 Y CB -0.706 37.887 38.460 0.223 0.000 0.982 493 Y HN 0.505 nan 8.280 nan 0.000 0.515 494 H N -0.473 118.767 119.070 0.283 0.000 2.321 494 H HA -0.208 4.351 4.556 0.004 0.000 0.300 494 H C 2.042 177.439 175.328 0.114 0.000 1.087 494 H CA 2.030 58.200 56.048 0.202 0.000 1.319 494 H CB -0.048 29.824 29.762 0.183 0.000 1.379 494 H HN 0.379 nan 8.280 nan 0.000 0.501 495 Q N 0.731 120.494 119.800 -0.062 0.000 2.083 495 Q HA -0.015 4.327 4.340 0.004 0.000 0.198 495 Q C 2.608 178.511 176.000 -0.161 0.000 0.969 495 Q CA 1.349 57.038 55.803 -0.190 0.000 0.838 495 Q CB -0.206 28.273 28.738 -0.432 0.000 0.900 495 Q HN 0.549 nan 8.270 nan 0.000 0.436 496 L N -1.070 120.049 121.223 -0.173 0.000 2.209 496 L HA -0.009 4.333 4.340 0.004 0.000 0.207 496 L C 1.805 178.630 176.870 -0.075 0.000 1.094 496 L CA 0.469 55.242 54.840 -0.113 0.000 0.790 496 L CB -0.130 41.833 42.059 -0.159 0.000 0.932 496 L HN 0.288 nan 8.230 nan 0.000 0.447 497 M N -2.007 117.450 119.600 -0.238 0.000 3.101 497 M HA 0.135 4.617 4.480 0.004 0.000 0.236 497 M C 2.365 178.575 176.300 -0.151 0.000 1.538 497 M CA 0.744 55.859 55.300 -0.309 0.000 1.309 497 M CB -0.917 31.150 32.600 -0.888 0.000 1.141 497 M HN -0.113 nan 8.290 nan 0.000 0.579 498 S N 0.236 115.864 115.700 -0.120 0.000 2.382 498 S HA -0.147 4.325 4.470 0.004 0.000 0.228 498 S C 1.852 176.483 174.600 0.052 0.000 1.027 498 S CA 1.440 59.669 58.200 0.048 0.000 0.991 498 S CB -0.484 62.804 63.200 0.146 0.000 0.823 498 S HN 0.504 nan 8.310 nan 0.000 0.469 499 H N -1.174 117.789 119.070 -0.178 0.000 2.315 499 H HA 0.004 4.562 4.556 0.004 0.000 0.318 499 H C 2.160 177.543 175.328 0.092 0.000 1.068 499 H CA 0.569 56.570 56.048 -0.078 0.000 1.465 499 H CB -0.405 29.195 29.762 -0.271 0.000 1.475 499 H HN 0.497 nan 8.280 nan 0.000 0.597 500 W N 1.578 122.664 121.300 -0.355 0.000 2.380 500 W HA -0.202 4.460 4.660 0.004 0.000 0.317 500 W C 2.063 178.478 176.519 -0.174 0.000 1.196 500 W CA 1.149 58.261 57.345 -0.389 0.000 1.307 500 W CB -0.515 28.731 29.460 -0.356 0.000 1.157 500 W HN 0.339 nan 8.180 nan 0.000 0.483 501 L N 2.238 123.283 121.223 -0.297 0.000 2.027 501 L HA -0.161 4.181 4.340 0.004 0.000 0.206 501 L C 1.920 178.610 176.870 -0.301 0.000 1.074 501 L CA 2.194 56.794 54.840 -0.400 0.000 0.745 501 L CB -1.334 40.645 42.059 -0.133 0.000 0.898 501 L HN -0.140 nan 8.230 nan 0.000 0.433 502 N N -1.144 117.516 118.700 -0.067 0.000 2.409 502 N HA -0.074 4.668 4.740 0.004 0.000 0.179 502 N C 1.524 177.113 175.510 0.132 0.000 1.032 502 N CA 1.403 54.536 53.050 0.139 0.000 0.898 502 N CB -0.172 38.454 38.487 0.233 0.000 0.971 502 N HN 0.688 nan 8.380 nan 0.000 0.441 503 T N -2.524 112.042 114.554 0.021 0.000 3.480 503 T HA 0.082 4.435 4.350 0.004 0.000 0.229 503 T C 1.623 176.214 174.700 -0.181 0.000 0.944 503 T CA 0.110 62.222 62.100 0.020 0.000 1.388 503 T CB -0.413 68.560 68.868 0.176 0.000 1.180 503 T HN 0.017 nan 8.240 nan 0.000 0.414 504 H N 1.722 120.560 119.070 -0.387 0.000 2.265 504 H HA -0.049 4.509 4.556 0.004 0.000 0.293 504 H C 2.657 177.567 175.328 -0.696 0.000 1.089 504 H CA 2.128 57.829 56.048 -0.578 0.000 1.244 504 H CB -0.542 28.678 29.762 -0.903 0.000 1.355 504 H HN 0.584 nan 8.280 nan 0.000 0.485 505 A N 0.866 123.134 122.820 -0.920 0.000 1.930 505 A HA 0.096 4.418 4.320 0.004 0.000 0.215 505 A C 2.625 179.932 177.584 -0.463 0.000 1.176 505 A CA 1.190 52.763 52.037 -0.774 0.000 0.632 505 A CB -0.577 17.783 19.000 -1.067 0.000 0.819 505 A HN 0.434 nan 8.150 nan 0.000 0.445 506 A N -1.202 121.408 122.820 -0.350 0.000 2.015 506 A HA -0.026 4.296 4.320 0.004 0.000 0.219 506 A C 2.077 179.797 177.584 0.228 0.000 1.163 506 A CA 2.008 53.997 52.037 -0.080 0.000 0.646 506 A CB -0.389 18.641 19.000 0.051 0.000 0.806 506 A HN 0.503 nan 8.150 nan 0.000 0.448 507 M N -0.294 119.403 119.600 0.161 0.000 2.287 507 M HA 0.048 4.530 4.480 0.004 0.000 0.266 507 M C 1.750 178.138 176.300 0.146 0.000 1.079 507 M CA 1.792 57.283 55.300 0.318 0.000 1.146 507 M CB -0.418 32.303 32.600 0.201 0.000 1.374 507 M HN 0.541 nan 8.290 nan 0.000 0.435 508 E N -0.101 120.081 120.200 -0.031 0.000 2.097 508 E HA -0.193 4.159 4.350 0.004 0.000 0.196 508 E C -0.999 175.547 176.600 -0.089 0.000 1.000 508 E CA 1.520 57.880 56.400 -0.066 0.000 0.804 508 E CB -0.893 28.772 29.700 -0.058 0.000 0.740 508 E HN 0.342 nan 8.360 nan 0.000 0.454 509 P HA -0.151 nan 4.420 nan 0.000 0.216 509 P C 0.662 177.864 177.300 -0.163 0.000 1.150 509 P CA 1.249 64.220 63.100 -0.215 0.000 0.837 509 P CB -0.126 31.195 31.700 -0.632 0.000 0.786 510 F N -1.155 118.849 119.950 0.090 0.000 2.259 510 F HA -0.110 4.419 4.527 0.004 0.000 0.298 510 F C 2.324 178.093 175.800 -0.052 0.000 1.088 510 F CA 0.795 58.880 58.000 0.143 0.000 1.358 510 F CB -1.703 37.490 39.000 0.323 0.000 1.040 510 F HN -0.264 nan 8.300 nan 0.000 0.505 511 V N 0.508 120.275 119.914 -0.246 0.000 2.261 511 V HA -0.300 3.822 4.120 0.004 0.000 0.246 511 V C 2.334 178.433 176.094 0.008 0.000 1.047 511 V CA 1.864 63.849 62.300 -0.524 0.000 1.015 511 V CB -0.693 30.909 31.823 -0.368 0.000 0.642 511 V HN 0.269 nan 8.190 nan 0.000 0.446 512 I N 0.582 121.182 120.570 0.051 0.000 2.142 512 I HA -0.242 3.930 4.170 0.004 0.000 0.240 512 I C 2.711 178.891 176.117 0.106 0.000 1.078 512 I CA 1.627 62.957 61.300 0.050 0.000 1.343 512 I CB -0.662 37.180 38.000 -0.264 0.000 1.046 512 I HN 0.276 nan 8.210 nan 0.000 0.405 513 A N 0.270 123.235 122.820 0.241 0.000 1.940 513 A HA -0.220 4.102 4.320 0.004 0.000 0.219 513 A C 2.379 180.325 177.584 0.603 0.000 1.176 513 A CA 2.521 54.816 52.037 0.431 0.000 0.631 513 A CB -1.154 18.023 19.000 0.295 0.000 0.814 513 A HN 0.420 nan 8.150 nan 0.000 0.446 514 T N -0.748 114.149 114.554 0.571 0.000 2.708 514 T HA -0.149 4.204 4.350 0.004 0.000 0.266 514 T C 1.809 176.564 174.700 0.092 0.000 1.037 514 T CA 1.552 63.866 62.100 0.357 0.000 1.146 514 T CB -0.493 68.554 68.868 0.297 0.000 0.865 514 T HN 0.632 nan 8.240 nan 0.000 0.435 515 H N 0.867 119.943 119.070 0.010 0.000 2.428 515 H HA 0.126 4.684 4.556 0.004 0.000 0.296 515 H C 2.514 177.744 175.328 -0.163 0.000 1.062 515 H CA 0.895 56.819 56.048 -0.208 0.000 1.350 515 H CB 0.044 29.151 29.762 -1.091 0.000 1.403 515 H HN 0.301 nan 8.280 nan 0.000 0.533 516 R N -0.447 120.062 120.500 0.016 0.000 2.148 516 R HA -0.050 4.293 4.340 0.004 0.000 0.223 516 R C 1.225 177.358 176.300 -0.279 0.000 1.088 516 R CA 0.880 56.923 56.100 -0.096 0.000 0.985 516 R CB 0.235 30.497 30.300 -0.063 0.000 0.880 516 R HN 0.443 nan 8.270 nan 0.000 0.451 517 H N -1.527 117.651 119.070 0.180 0.000 3.400 517 H HA 0.251 4.809 4.556 0.004 0.000 0.251 517 H C -0.061 175.311 175.328 0.074 0.000 1.040 517 H CA 0.028 56.184 56.048 0.179 0.000 1.175 517 H CB 0.920 30.875 29.762 0.322 0.000 1.487 517 H HN -0.037 nan 8.280 nan 0.000 0.505 518 L N 1.944 123.217 121.223 0.085 0.000 2.287 518 L HA 0.266 4.608 4.340 0.004 0.000 0.287 518 L C 0.723 177.542 176.870 -0.085 0.000 1.022 518 L CA -0.496 54.278 54.840 -0.110 0.000 0.814 518 L CB 1.911 43.780 42.059 -0.317 0.000 1.217 518 L HN -0.027 nan 8.230 nan 0.000 0.420 519 S N 1.451 117.084 115.700 -0.111 0.000 2.573 519 S HA 0.039 4.511 4.470 0.004 0.000 0.277 519 S C 1.488 175.743 174.600 -0.576 0.000 1.346 519 S CA -0.449 57.596 58.200 -0.259 0.000 1.034 519 S CB 1.225 64.298 63.200 -0.211 0.000 0.879 519 S HN 0.474 nan 8.310 nan 0.000 0.528 520 V N 4.033 123.465 119.914 -0.805 0.000 2.546 520 V HA -0.178 3.944 4.120 0.004 0.000 0.254 520 V C 1.899 177.716 176.094 -0.463 0.000 1.076 520 V CA 1.979 63.670 62.300 -1.016 0.000 1.087 520 V CB -1.231 30.335 31.823 -0.428 0.000 0.674 520 V HN 0.814 nan 8.190 nan 0.000 0.470 521 L N -0.658 120.350 121.223 -0.358 0.000 2.376 521 L HA 0.075 4.418 4.340 0.004 0.000 0.219 521 L C 1.635 178.423 176.870 -0.137 0.000 1.133 521 L CA 0.545 55.251 54.840 -0.223 0.000 0.816 521 L CB -0.686 41.238 42.059 -0.224 0.000 0.933 521 L HN 0.444 nan 8.230 nan 0.000 0.449 522 H N 1.971 120.929 119.070 -0.186 0.000 2.683 522 H HA 0.073 4.631 4.556 0.004 0.000 0.339 522 H C -1.601 173.665 175.328 -0.104 0.000 1.081 522 H CA -1.779 54.197 56.048 -0.120 0.000 1.432 522 H CB 1.740 31.454 29.762 -0.080 0.000 1.462 522 H HN -0.128 nan 8.280 nan 0.000 0.557 523 P HA -0.160 nan 4.420 nan 0.000 0.218 523 P C 1.520 178.936 177.300 0.193 0.000 1.148 523 P CA 0.876 63.823 63.100 -0.254 0.000 0.822 523 P CB 0.560 31.674 31.700 -0.976 0.000 0.784 524 I N -1.852 118.948 120.570 0.382 0.000 2.500 524 I HA -0.156 4.016 4.170 0.004 0.000 0.252 524 I C 2.571 178.654 176.117 -0.056 0.000 1.142 524 I CA 0.709 62.075 61.300 0.110 0.000 1.451 524 I CB -1.674 36.299 38.000 -0.045 0.000 1.093 524 I HN -0.095 nan 8.210 nan 0.000 0.430 525 Y N 2.713 122.938 120.300 -0.125 0.000 2.128 525 Y HA -0.275 4.277 4.550 0.004 0.000 0.284 525 Y C 2.546 178.371 175.900 -0.124 0.000 1.154 525 Y CA 1.981 59.980 58.100 -0.168 0.000 1.149 525 Y CB -0.151 38.236 38.460 -0.122 0.000 0.976 525 Y HN 0.049 nan 8.280 nan 0.000 0.505 526 K N -0.508 120.024 120.400 0.219 0.000 2.147 526 K HA -0.175 4.147 4.320 0.004 0.000 0.205 526 K C 1.938 178.443 176.600 -0.157 0.000 1.049 526 K CA 1.404 57.769 56.287 0.131 0.000 0.936 526 K CB -0.402 32.317 32.500 0.366 0.000 0.722 526 K HN 0.302 nan 8.250 nan 0.000 0.446 527 L N 1.092 122.188 121.223 -0.213 0.000 2.027 527 L HA -0.117 4.225 4.340 0.004 0.000 0.206 527 L C 1.811 178.529 176.870 -0.254 0.000 1.074 527 L CA 1.603 56.197 54.840 -0.409 0.000 0.745 527 L CB -0.125 41.622 42.059 -0.520 0.000 0.898 527 L HN 0.100 nan 8.230 nan 0.000 0.433 528 L N -1.436 119.609 121.223 -0.297 0.000 2.202 528 L HA -0.042 4.300 4.340 0.004 0.000 0.205 528 L C 2.429 178.846 176.870 -0.755 0.000 1.083 528 L CA 1.111 55.723 54.840 -0.380 0.000 0.790 528 L CB -0.984 40.880 42.059 -0.324 0.000 0.942 528 L HN 0.396 nan 8.230 nan 0.000 0.452 529 T N -2.487 111.613 114.554 -0.757 0.000 2.833 529 T HA -0.065 4.287 4.350 0.004 0.000 0.269 529 T C -0.560 173.834 174.700 -0.511 0.000 1.054 529 T CA 0.571 62.210 62.100 -0.767 0.000 1.135 529 T CB -1.571 66.857 68.868 -0.733 0.000 0.869 529 T HN 0.143 nan 8.240 nan 0.000 0.466 530 P HA -0.096 nan 4.420 nan 0.000 0.219 530 P C 1.088 178.076 177.300 -0.519 0.000 1.146 530 P CA 1.033 63.835 63.100 -0.497 0.000 0.808 530 P CB -0.221 31.085 31.700 -0.656 0.000 0.779 531 H N -2.959 115.944 119.070 -0.278 0.000 2.543 531 H HA 0.103 4.661 4.556 0.004 0.000 0.269 531 H C 0.470 175.816 175.328 0.031 0.000 1.005 531 H CA 0.680 56.644 56.048 -0.139 0.000 1.146 531 H CB -0.020 29.661 29.762 -0.135 0.000 1.353 531 H HN 0.287 nan 8.280 nan 0.000 0.595 532 Y N 0.094 120.433 120.300 0.065 0.000 2.467 532 Y HA 0.168 4.720 4.550 0.004 0.000 0.250 532 Y C 1.373 177.308 175.900 0.060 0.000 1.155 532 Y CA -0.920 57.230 58.100 0.084 0.000 1.249 532 Y CB 0.019 38.552 38.460 0.122 0.000 1.146 532 Y HN -0.050 nan 8.280 nan 0.000 0.524 533 R N 2.267 122.857 120.500 0.150 0.000 2.504 533 R HA -0.126 4.216 4.340 0.004 0.000 0.291 533 R C 0.536 176.899 176.300 0.105 0.000 0.974 533 R CA 0.868 57.032 56.100 0.107 0.000 1.077 533 R CB -0.113 30.209 30.300 0.036 0.000 0.926 533 R HN 0.363 nan 8.270 nan 0.000 0.407 534 N N 1.538 120.304 118.700 0.111 0.000 2.936 534 N HA -0.305 4.437 4.740 0.004 0.000 0.236 534 N C 0.443 176.008 175.510 0.092 0.000 0.930 534 N CA 1.725 54.837 53.050 0.103 0.000 0.966 534 N CB -1.447 37.112 38.487 0.120 0.000 1.090 534 N HN 0.867 nan 8.380 nan 0.000 0.592 535 N N -0.528 118.222 118.700 0.084 0.000 2.106 535 N HA -0.054 4.688 4.740 0.004 0.000 0.188 535 N C 1.701 177.250 175.510 0.065 0.000 1.029 535 N CA 1.370 54.447 53.050 0.046 0.000 0.848 535 N CB -0.094 38.413 38.487 0.034 0.000 1.007 535 N HN 0.340 nan 8.380 nan 0.000 0.423 536 M N 0.421 120.054 119.600 0.056 0.000 2.159 536 M HA -0.148 4.335 4.480 0.004 0.000 0.263 536 M C 1.904 178.224 176.300 0.033 0.000 1.063 536 M CA 1.151 56.469 55.300 0.030 0.000 1.110 536 M CB -0.400 32.192 32.600 -0.013 0.000 1.374 536 M HN 0.244 nan 8.290 nan 0.000 0.411 537 N N 1.433 120.155 118.700 0.038 0.000 2.039 537 N HA -0.148 4.594 4.740 0.004 0.000 0.193 537 N C 1.609 177.167 175.510 0.081 0.000 1.044 537 N CA 1.728 54.802 53.050 0.039 0.000 0.847 537 N CB -0.346 38.172 38.487 0.051 0.000 1.030 537 N HN 0.524 nan 8.380 nan 0.000 0.422 538 I N -1.895 118.749 120.570 0.123 0.000 2.286 538 I HA -0.150 4.022 4.170 0.004 0.000 0.248 538 I C 1.324 177.565 176.117 0.207 0.000 1.115 538 I CA 1.430 62.830 61.300 0.166 0.000 1.392 538 I CB -0.534 37.604 38.000 0.229 0.000 1.065 538 I HN -0.046 nan 8.210 nan 0.000 0.418 539 N N 2.140 120.988 118.700 0.246 0.000 2.120 539 N HA -0.113 4.629 4.740 0.004 0.000 0.188 539 N C 2.053 177.703 175.510 0.234 0.000 1.024 539 N CA 2.051 55.304 53.050 0.339 0.000 0.852 539 N CB -0.513 38.150 38.487 0.293 0.000 1.003 539 N HN 0.589 nan 8.380 nan 0.000 0.424 540 A N 0.727 123.630 122.820 0.139 0.000 1.902 540 A HA -0.037 4.286 4.320 0.004 0.000 0.217 540 A C 2.277 179.860 177.584 -0.001 0.000 1.181 540 A CA 0.926 53.039 52.037 0.126 0.000 0.623 540 A CB -0.748 18.317 19.000 0.108 0.000 0.818 540 A HN 0.236 nan 8.150 nan 0.000 0.443 541 L N -0.784 120.425 121.223 -0.023 0.000 2.131 541 L HA -0.183 4.159 4.340 0.004 0.000 0.210 541 L C 3.036 179.817 176.870 -0.147 0.000 1.092 541 L CA 0.924 55.696 54.840 -0.114 0.000 0.759 541 L CB -0.476 41.560 42.059 -0.038 0.000 0.903 541 L HN 0.443 nan 8.230 nan 0.000 0.435 542 A N 0.145 122.930 122.820 -0.058 0.000 1.898 542 A HA -0.173 4.149 4.320 0.004 0.000 0.216 542 A C 2.387 179.851 177.584 -0.199 0.000 1.181 542 A CA 1.224 53.184 52.037 -0.128 0.000 0.620 542 A CB -0.410 18.547 19.000 -0.072 0.000 0.819 542 A HN 0.303 nan 8.150 nan 0.000 0.442 543 R N -0.726 119.720 120.500 -0.089 0.000 2.127 543 R HA -0.186 4.156 4.340 0.004 0.000 0.238 543 R C 2.461 178.632 176.300 -0.215 0.000 1.134 543 R CA 1.626 57.706 56.100 -0.033 0.000 0.975 543 R CB -0.287 30.137 30.300 0.207 0.000 0.865 543 R HN 0.800 nan 8.270 nan 0.000 0.447 544 Q N -0.280 119.140 119.800 -0.633 0.000 2.096 544 Q HA -0.038 4.304 4.340 0.004 0.000 0.197 544 Q C 0.984 176.734 176.000 -0.417 0.000 0.964 544 Q CA 1.487 56.715 55.803 -0.958 0.000 0.838 544 Q CB 0.382 28.286 28.738 -1.390 0.000 0.906 544 Q HN 0.143 nan 8.270 nan 0.000 0.444 545 S N -0.957 114.562 115.700 -0.300 0.000 2.628 545 S HA 0.108 4.580 4.470 0.004 0.000 0.246 545 S C 0.999 175.505 174.600 -0.157 0.000 1.062 545 S CA -0.284 57.800 58.200 -0.193 0.000 1.028 545 S CB 0.518 63.625 63.200 -0.155 0.000 0.985 545 S HN 0.284 nan 8.310 nan 0.000 0.551 546 L N 2.037 123.146 121.223 -0.191 0.000 2.269 546 L HA 0.492 4.834 4.340 0.004 0.000 0.200 546 L C 1.270 177.985 176.870 -0.258 0.000 1.069 546 L CA 1.201 55.924 54.840 -0.196 0.000 0.804 546 L CB -0.049 41.884 42.059 -0.210 0.000 0.987 546 L HN 0.381 nan 8.230 nan 0.000 0.468 547 I N -1.320 119.046 120.570 -0.339 0.000 3.941 547 I HA 0.254 4.426 4.170 0.004 0.000 0.335 547 I C 0.116 176.078 176.117 -0.258 0.000 1.402 547 I CA -0.627 60.438 61.300 -0.391 0.000 1.112 547 I CB -0.621 36.971 38.000 -0.680 0.000 1.043 547 I HN 0.208 nan 8.210 nan 0.000 0.395 548 N N 2.529 121.116 118.700 -0.188 0.000 2.381 548 N HA 0.204 4.946 4.740 0.004 0.000 0.254 548 N C 0.144 175.583 175.510 -0.118 0.000 1.264 548 N CA -0.118 52.859 53.050 -0.122 0.000 0.942 548 N CB 0.869 39.296 38.487 -0.099 0.000 1.190 548 N HN 0.187 nan 8.380 nan 0.000 0.495 549 A N 0.744 123.508 122.820 -0.093 0.000 2.524 549 A HA 0.072 4.394 4.320 0.004 0.000 0.250 549 A C 0.768 178.303 177.584 -0.081 0.000 1.078 549 A CA 0.073 52.054 52.037 -0.094 0.000 0.761 549 A CB -1.029 17.922 19.000 -0.081 0.000 1.012 549 A HN 0.894 nan 8.150 nan 0.000 0.500 550 N N 0.030 118.680 118.700 -0.084 0.000 2.753 550 N HA -0.155 4.587 4.740 0.004 0.000 0.251 550 N C 0.578 176.050 175.510 -0.063 0.000 1.097 550 N CA 1.655 54.664 53.050 -0.068 0.000 0.786 550 N CB -1.382 37.071 38.487 -0.056 0.000 1.137 550 N HN 1.191 nan 8.380 nan 0.000 0.566 551 G N -0.433 108.319 108.800 -0.079 0.000 2.553 551 G HA2 0.371 4.333 3.960 0.004 0.000 0.278 551 G HA3 0.371 4.333 3.960 0.004 0.000 0.278 551 G C 1.473 176.339 174.900 -0.057 0.000 1.349 551 G CA -0.033 45.019 45.100 -0.080 0.000 1.037 551 G HN 0.102 nan 8.290 nan 0.000 0.508 552 I N -0.454 120.085 120.570 -0.050 0.000 2.179 552 I HA -0.121 4.051 4.170 0.004 0.000 0.242 552 I C 2.721 178.858 176.117 0.034 0.000 1.088 552 I CA 1.071 62.371 61.300 0.000 0.000 1.357 552 I CB -1.012 36.996 38.000 0.014 0.000 1.051 552 I HN 0.394 nan 8.210 nan 0.000 0.409 553 L N 0.724 121.934 121.223 -0.022 0.000 2.017 553 L HA -0.206 4.136 4.340 0.004 0.000 0.208 553 L C 2.591 179.499 176.870 0.064 0.000 1.073 553 L CA 1.547 56.391 54.840 0.007 0.000 0.745 553 L CB -0.251 41.687 42.059 -0.203 0.000 0.894 553 L HN 0.224 nan 8.230 nan 0.000 0.432 554 E N -1.001 119.183 120.200 -0.026 0.000 2.153 554 E HA -0.207 4.145 4.350 0.004 0.000 0.194 554 E C 1.773 178.378 176.600 0.008 0.000 0.988 554 E CA 1.706 58.091 56.400 -0.025 0.000 0.811 554 E CB -0.068 29.584 29.700 -0.080 0.000 0.746 554 E HN 0.650 nan 8.360 nan 0.000 0.466 555 T N -2.308 112.251 114.554 0.009 0.000 3.129 555 T HA 0.017 4.369 4.350 0.004 0.000 0.251 555 T C 1.692 176.394 174.700 0.004 0.000 1.117 555 T CA 0.960 63.057 62.100 -0.005 0.000 1.034 555 T CB 0.159 69.014 68.868 -0.021 0.000 0.968 555 T HN 0.136 nan 8.240 nan 0.000 0.526 556 T N -2.237 112.356 114.554 0.064 0.000 2.958 556 T HA 0.423 4.775 4.350 0.004 0.000 0.256 556 T C -0.040 174.600 174.700 -0.101 0.000 0.983 556 T CA -0.526 61.575 62.100 0.002 0.000 0.924 556 T CB -0.142 68.753 68.868 0.045 0.000 1.136 556 T HN 0.219 nan 8.240 nan 0.000 0.506 557 F N 1.135 121.071 119.950 -0.023 0.000 2.458 557 F HA 0.581 5.110 4.527 0.003 0.000 0.330 557 F C 1.204 177.007 175.800 0.005 0.000 1.082 557 F CA -2.069 55.928 58.000 -0.005 0.000 0.995 557 F CB 1.582 40.584 39.000 0.002 0.000 1.170 557 F HN -0.116 nan 8.300 nan 0.000 0.478 558 L N 4.415 125.728 121.223 0.150 0.000 2.030 558 L HA -0.187 4.155 4.340 0.004 0.000 0.222 558 L C -1.067 175.896 176.870 0.156 0.000 1.082 558 L CA 2.408 57.325 54.840 0.128 0.000 0.785 558 L CB -1.355 40.797 42.059 0.154 0.000 0.895 558 L HN 0.467 nan 8.230 nan 0.000 0.439 559 P HA 0.008 nan 4.420 nan 0.000 0.245 559 P C 0.835 178.213 177.300 0.131 0.000 1.212 559 P CA 0.902 64.110 63.100 0.181 0.000 0.774 559 P CB 0.219 31.991 31.700 0.119 0.000 0.999 560 S N 1.052 116.792 115.700 0.066 0.000 3.949 560 S HA -0.295 4.177 4.470 0.004 0.000 0.626 560 S C 1.516 176.051 174.600 -0.109 0.000 2.168 560 S CA 2.139 60.328 58.200 -0.019 0.000 4.124 560 S CB -1.587 61.596 63.200 -0.028 0.000 0.220 560 S HN 0.398 nan 8.310 nan 0.000 0.750 561 K N 0.553 120.803 120.400 -0.251 0.000 2.519 561 K HA -0.047 4.275 4.320 0.004 0.000 0.196 561 K C 1.294 177.662 176.600 -0.387 0.000 1.041 561 K CA 1.941 58.019 56.287 -0.348 0.000 0.954 561 K CB -0.406 31.832 32.500 -0.436 0.000 0.774 561 K HN 0.642 nan 8.250 nan 0.000 0.480 562 Y N 1.206 121.491 120.300 -0.025 0.000 2.466 562 Y HA 0.205 4.757 4.550 0.004 0.000 0.272 562 Y C 2.051 177.858 175.900 -0.156 0.000 1.169 562 Y CA -0.341 57.738 58.100 -0.034 0.000 1.285 562 Y CB 0.355 38.854 38.460 0.064 0.000 1.078 562 Y HN 0.062 nan 8.280 nan 0.000 0.523 563 S N -0.156 115.512 115.700 -0.055 0.000 2.343 563 S HA -0.152 4.321 4.470 0.004 0.000 0.219 563 S C 2.182 176.673 174.600 -0.182 0.000 1.033 563 S CA 1.739 59.865 58.200 -0.122 0.000 1.014 563 S CB -0.591 62.534 63.200 -0.124 0.000 0.915 563 S HN 0.261 nan 8.310 nan 0.000 0.435 564 V N 2.919 122.707 119.914 -0.210 0.000 2.427 564 V HA -0.183 3.939 4.120 0.004 0.000 0.248 564 V C 2.487 178.444 176.094 -0.228 0.000 1.051 564 V CA 1.968 64.114 62.300 -0.257 0.000 1.048 564 V CB -1.090 30.527 31.823 -0.344 0.000 0.666 564 V HN 0.690 nan 8.190 nan 0.000 0.456 565 E N 0.293 120.381 120.200 -0.186 0.000 2.153 565 E HA -0.238 4.114 4.350 0.004 0.000 0.194 565 E C 2.140 178.748 176.600 0.014 0.000 0.988 565 E CA 1.452 57.801 56.400 -0.086 0.000 0.811 565 E CB -0.454 29.253 29.700 0.012 0.000 0.746 565 E HN 0.506 nan 8.360 nan 0.000 0.466 566 M N 1.725 121.212 119.600 -0.189 0.000 2.149 566 M HA -0.174 4.308 4.480 0.004 0.000 0.261 566 M C 2.599 178.845 176.300 -0.089 0.000 1.064 566 M CA 2.047 57.132 55.300 -0.359 0.000 1.102 566 M CB -0.365 31.869 32.600 -0.610 0.000 1.369 566 M HN 0.338 nan 8.290 nan 0.000 0.408 567 S N -1.010 114.673 115.700 -0.029 0.000 2.419 567 S HA -0.131 4.341 4.470 0.004 0.000 0.233 567 S C 1.929 176.718 174.600 0.314 0.000 1.016 567 S CA 1.555 59.827 58.200 0.120 0.000 0.974 567 S CB -0.515 62.797 63.200 0.186 0.000 0.786 567 S HN 0.472 nan 8.310 nan 0.000 0.492 568 S N 1.909 117.800 115.700 0.320 0.000 2.368 568 S HA 0.048 4.521 4.470 0.004 0.000 0.224 568 S C 2.154 176.999 174.600 0.409 0.000 1.029 568 S CA 1.164 59.638 58.200 0.458 0.000 0.988 568 S CB -0.951 62.447 63.200 0.331 0.000 0.838 568 S HN 0.802 nan 8.310 nan 0.000 0.462 569 A N 0.793 123.803 122.820 0.317 0.000 1.908 569 A HA -0.016 4.306 4.320 0.004 0.000 0.218 569 A C 2.336 180.070 177.584 0.250 0.000 1.181 569 A CA 1.846 54.050 52.037 0.278 0.000 0.627 569 A CB -1.031 18.155 19.000 0.309 0.000 0.818 569 A HN 0.468 nan 8.150 nan 0.000 0.445 570 V N -1.543 118.511 119.914 0.233 0.000 2.427 570 V HA -0.237 3.886 4.120 0.004 0.000 0.248 570 V C 2.334 178.600 176.094 0.287 0.000 1.051 570 V CA 1.880 64.319 62.300 0.231 0.000 1.048 570 V CB -0.961 30.962 31.823 0.167 0.000 0.666 570 V HN 0.728 nan 8.190 nan 0.000 0.456 571 Y N 1.512 121.922 120.300 0.184 0.000 2.333 571 Y HA -0.210 4.342 4.550 0.004 0.000 0.290 571 Y C 2.297 178.353 175.900 0.260 0.000 1.144 571 Y CA 1.370 59.583 58.100 0.188 0.000 1.228 571 Y CB -0.337 38.170 38.460 0.079 0.000 0.985 571 Y HN 0.225 nan 8.280 nan 0.000 0.542 572 K N -0.098 120.420 120.400 0.198 0.000 2.218 572 K HA -0.230 4.092 4.320 0.004 0.000 0.205 572 K C 0.873 177.526 176.600 0.088 0.000 1.046 572 K CA 1.840 58.194 56.287 0.112 0.000 0.933 572 K CB -0.293 32.295 32.500 0.147 0.000 0.728 572 K HN 0.424 nan 8.250 nan 0.000 0.454 573 N N -0.902 117.869 118.700 0.117 0.000 2.234 573 N HA 0.037 4.779 4.740 0.004 0.000 0.227 573 N C -0.937 174.605 175.510 0.054 0.000 1.151 573 N CA -0.419 52.685 53.050 0.091 0.000 0.865 573 N CB 0.334 38.877 38.487 0.093 0.000 1.066 573 N HN 0.201 nan 8.380 nan 0.000 0.515 574 W N 1.545 122.755 121.300 -0.150 0.000 2.266 574 W HA 0.417 5.080 4.660 0.004 0.000 0.317 574 W C -0.915 175.353 176.519 -0.420 0.000 1.310 574 W CA -0.254 56.974 57.345 -0.195 0.000 1.207 574 W CB 0.553 29.961 29.460 -0.087 0.000 1.199 574 W HN -0.343 nan 8.180 nan 0.000 0.544 575 V N 9.793 128.964 119.914 -1.239 0.000 2.443 575 V HA 0.071 4.193 4.120 0.004 0.000 0.293 575 V C 0.527 175.422 176.094 -1.999 0.000 1.021 575 V CA -0.825 60.285 62.300 -1.984 0.000 0.848 575 V CB 0.806 31.713 31.823 -1.526 0.000 0.998 575 V HN 0.742 nan 8.190 nan 0.000 0.424 576 F N 4.432 123.015 119.950 -2.279 0.000 2.091 576 F HA -0.248 4.282 4.527 0.004 0.000 0.299 576 F C 2.474 177.861 175.800 -0.688 0.000 1.103 576 F CA 2.833 60.042 58.000 -1.319 0.000 1.228 576 F CB -0.073 38.576 39.000 -0.586 0.000 0.984 576 F HN 0.621 nan 8.300 nan 0.000 0.477 577 T N -3.093 111.086 114.554 -0.625 0.000 3.035 577 T HA -0.099 4.253 4.350 0.004 0.000 0.268 577 T C 1.322 175.734 174.700 -0.480 0.000 1.109 577 T CA 1.142 62.980 62.100 -0.436 0.000 1.119 577 T CB -0.480 68.299 68.868 -0.149 0.000 0.900 577 T HN 0.201 nan 8.240 nan 0.000 0.503 578 D N 1.061 121.093 120.400 -0.613 0.000 2.349 578 D HA 0.043 4.686 4.640 0.004 0.000 0.224 578 D C 1.926 177.976 176.300 -0.417 0.000 1.029 578 D CA 0.246 53.957 54.000 -0.482 0.000 0.879 578 D CB 0.043 40.549 40.800 -0.490 0.000 0.906 578 D HN 0.374 nan 8.370 nan 0.000 0.528 579 Q N 0.243 119.764 119.800 -0.465 0.000 2.389 579 Q HA 0.142 4.485 4.340 0.004 0.000 0.204 579 Q C 0.717 176.607 176.000 -0.183 0.000 0.944 579 Q CA 0.057 55.718 55.803 -0.236 0.000 0.908 579 Q CB -0.150 28.474 28.738 -0.190 0.000 1.002 579 Q HN 0.142 nan 8.270 nan 0.000 0.493 580 A N 1.417 124.027 122.820 -0.350 0.000 2.540 580 A HA 0.043 4.365 4.320 0.004 0.000 0.239 580 A C 1.246 178.240 177.584 -0.982 0.000 1.061 580 A CA -0.161 51.513 52.037 -0.606 0.000 0.758 580 A CB 0.122 18.898 19.000 -0.375 0.000 0.991 580 A HN 0.290 nan 8.150 nan 0.000 0.502 581 L N 4.267 124.411 121.223 -1.798 0.000 2.042 581 L HA -0.031 4.311 4.340 0.004 0.000 0.210 581 L C -0.810 175.476 176.870 -0.972 0.000 1.076 581 L CA 2.477 56.526 54.840 -1.319 0.000 0.749 581 L CB -1.149 39.898 42.059 -1.688 0.000 0.893 581 L HN 0.524 nan 8.230 nan 0.000 0.432 582 P HA -0.111 nan 4.420 nan 0.000 0.217 582 P C 1.530 178.583 177.300 -0.412 0.000 1.150 582 P CA 1.937 64.669 63.100 -0.613 0.000 0.832 582 P CB -0.207 31.192 31.700 -0.501 0.000 0.787 583 A N -0.054 122.515 122.820 -0.418 0.000 1.930 583 A HA -0.232 4.090 4.320 0.004 0.000 0.217 583 A C 2.190 179.620 177.584 -0.257 0.000 1.175 583 A CA 2.131 53.993 52.037 -0.291 0.000 0.627 583 A CB -1.645 17.184 19.000 -0.284 0.000 0.815 583 A HN 0.180 nan 8.150 nan 0.000 0.443 584 D N -0.002 120.225 120.400 -0.288 0.000 2.104 584 D HA -0.151 4.491 4.640 0.004 0.000 0.194 584 D C 1.805 178.029 176.300 -0.126 0.000 0.994 584 D CA 1.521 55.412 54.000 -0.182 0.000 0.830 584 D CB -0.241 40.478 40.800 -0.136 0.000 0.959 584 D HN 0.420 nan 8.370 nan 0.000 0.452 585 L N -0.057 121.063 121.223 -0.171 0.000 2.046 585 L HA -0.111 4.231 4.340 0.004 0.000 0.208 585 L C 2.641 179.469 176.870 -0.070 0.000 1.077 585 L CA 0.753 55.528 54.840 -0.108 0.000 0.747 585 L CB -0.398 41.551 42.059 -0.183 0.000 0.896 585 L HN 0.176 nan 8.230 nan 0.000 0.432 586 I N -0.226 120.279 120.570 -0.108 0.000 2.252 586 I HA -0.282 3.890 4.170 0.004 0.000 0.245 586 I C 2.732 178.813 176.117 -0.060 0.000 1.102 586 I CA 1.217 62.471 61.300 -0.077 0.000 1.385 586 I CB -0.270 37.672 38.000 -0.097 0.000 1.064 586 I HN 0.228 nan 8.210 nan 0.000 0.414 587 K N 1.312 121.663 120.400 -0.082 0.000 2.063 587 K HA -0.164 4.158 4.320 0.004 0.000 0.208 587 K C 2.045 178.622 176.600 -0.038 0.000 1.048 587 K CA 1.448 57.692 56.287 -0.072 0.000 0.928 587 K CB -0.010 32.427 32.500 -0.105 0.000 0.713 587 K HN 0.230 nan 8.250 nan 0.000 0.442 588 R N -0.684 119.806 120.500 -0.016 0.000 2.323 588 R HA 0.020 4.362 4.340 0.004 0.000 0.198 588 R C 0.782 177.112 176.300 0.050 0.000 0.988 588 R CA 0.551 56.663 56.100 0.021 0.000 1.041 588 R CB 0.149 30.481 30.300 0.052 0.000 0.926 588 R HN 0.512 nan 8.270 nan 0.000 0.476 589 G N 1.116 109.937 108.800 0.035 0.000 2.198 589 G HA2 -0.274 3.688 3.960 0.004 0.000 0.260 589 G HA3 -0.274 3.688 3.960 0.004 0.000 0.260 589 G C 0.606 175.591 174.900 0.141 0.000 1.025 589 G CA 0.512 45.641 45.100 0.048 0.000 0.769 589 G HN 0.348 nan 8.290 nan 0.000 0.507 590 V N -4.295 115.720 119.914 0.167 0.000 3.578 590 V HA 0.817 4.939 4.120 0.004 0.000 0.290 590 V C 0.830 177.019 176.094 0.159 0.000 1.376 590 V CA 0.877 63.331 62.300 0.257 0.000 1.083 590 V CB 0.079 32.076 31.823 0.290 0.000 0.911 590 V HN 1.920 nan 8.190 nan 0.000 0.433 591 A N 1.072 123.937 122.820 0.074 0.000 2.606 591 A HA 0.882 5.204 4.320 0.004 0.000 0.293 591 A C -0.997 176.588 177.584 0.002 0.000 1.082 591 A CA -0.553 51.497 52.037 0.022 0.000 0.685 591 A CB 1.930 20.906 19.000 -0.040 0.000 1.284 591 A HN 0.868 nan 8.150 nan 0.000 0.408 592 I N -1.638 118.928 120.570 -0.006 0.000 2.740 592 I HA 0.625 4.797 4.170 0.004 0.000 0.303 592 I C -0.167 175.935 176.117 -0.025 0.000 1.044 592 I CA -0.930 60.361 61.300 -0.015 0.000 1.064 592 I CB 1.958 39.955 38.000 -0.005 0.000 1.249 592 I HN 0.666 nan 8.210 nan 0.000 0.433 593 K N 2.771 123.153 120.400 -0.030 0.000 2.448 593 K HA 0.059 4.382 4.320 0.004 0.000 0.278 593 K C -1.025 175.565 176.600 -0.017 0.000 1.009 593 K CA 0.416 56.685 56.287 -0.029 0.000 0.995 593 K CB 0.370 32.852 32.500 -0.030 0.000 0.917 593 K HN 0.763 nan 8.250 nan 0.000 0.481 594 D N 5.813 126.205 120.400 -0.014 0.000 2.318 594 D HA 0.140 4.782 4.640 0.004 0.000 0.233 594 D C -2.204 174.091 176.300 -0.008 0.000 1.348 594 D CA -1.573 52.422 54.000 -0.008 0.000 0.983 594 D CB 1.547 42.344 40.800 -0.005 0.000 1.416 594 D HN 0.274 nan 8.370 nan 0.000 0.558 595 P HA -0.007 nan 4.420 nan 0.000 0.245 595 P C 0.927 178.220 177.300 -0.010 0.000 1.212 595 P CA 0.298 63.394 63.100 -0.007 0.000 0.774 595 P CB 0.118 31.814 31.700 -0.005 0.000 0.999 596 S N -1.493 114.201 115.700 -0.011 0.000 2.593 596 S HA 0.038 4.510 4.470 0.004 0.000 0.217 596 S C 0.907 175.495 174.600 -0.020 0.000 0.966 596 S CA -0.089 58.103 58.200 -0.013 0.000 0.914 596 S CB -1.240 61.954 63.200 -0.009 0.000 0.776 596 S HN 0.250 nan 8.310 nan 0.000 0.523 597 T N -0.716 113.825 114.554 -0.022 0.000 2.929 597 T HA 0.511 4.863 4.350 0.004 0.000 0.284 597 T C -1.634 173.025 174.700 -0.068 0.000 1.014 597 T CA -1.852 60.228 62.100 -0.033 0.000 1.051 597 T CB 1.340 70.201 68.868 -0.011 0.000 1.028 597 T HN -0.098 nan 8.240 nan 0.000 0.485 598 P HA -0.173 nan 4.420 nan 0.000 0.216 598 P C 0.955 178.068 177.300 -0.313 0.000 1.153 598 P CA 1.472 64.415 63.100 -0.260 0.000 0.858 598 P CB -0.055 31.405 31.700 -0.400 0.000 0.789 599 H N -2.114 116.955 119.070 -0.002 0.000 2.551 599 H HA 0.272 4.830 4.556 0.004 0.000 0.271 599 H C 1.607 176.924 175.328 -0.018 0.000 0.984 599 H CA 0.868 56.915 56.048 -0.001 0.000 1.164 599 H CB 0.009 29.755 29.762 -0.027 0.000 1.437 599 H HN 0.225 nan 8.280 nan 0.000 0.550 600 G N 1.171 110.001 108.800 0.049 0.000 2.184 600 G HA2 -0.292 3.670 3.960 0.004 0.000 0.264 600 G HA3 -0.292 3.670 3.960 0.004 0.000 0.264 600 G C 0.424 175.324 174.900 0.001 0.000 0.975 600 G CA 0.622 45.733 45.100 0.019 0.000 0.642 600 G HN 0.484 nan 8.290 nan 0.000 0.536 601 V N -3.156 116.762 119.914 0.008 0.000 2.925 601 V HA 0.888 5.010 4.120 0.004 0.000 0.311 601 V C -0.218 175.872 176.094 -0.006 0.000 1.104 601 V CA -1.064 61.222 62.300 -0.024 0.000 0.954 601 V CB 1.954 33.730 31.823 -0.079 0.000 1.022 601 V HN 0.599 nan 8.190 nan 0.000 0.427 602 R N 3.498 123.993 120.500 -0.009 0.000 2.295 602 R HA 0.673 5.015 4.340 0.004 0.000 0.324 602 R C -1.016 175.286 176.300 0.003 0.000 0.968 602 R CA -0.751 55.351 56.100 0.003 0.000 0.837 602 R CB 1.334 31.637 30.300 0.006 0.000 1.133 602 R HN 0.925 nan 8.270 nan 0.000 0.450 603 L N 5.965 127.191 121.223 0.005 0.000 2.416 603 L HA 0.094 4.436 4.340 0.004 0.000 0.272 603 L C 1.169 178.070 176.870 0.051 0.000 1.161 603 L CA -0.149 54.704 54.840 0.021 0.000 0.845 603 L CB 0.949 43.015 42.059 0.012 0.000 1.119 603 L HN 0.747 nan 8.230 nan 0.000 0.464 604 L N 4.027 125.306 121.223 0.093 0.000 2.446 604 L HA 0.164 4.506 4.340 0.004 0.000 0.219 604 L C 0.425 177.353 176.870 0.097 0.000 1.116 604 L CA 0.561 55.481 54.840 0.133 0.000 0.844 604 L CB 0.128 42.329 42.059 0.237 0.000 0.970 604 L HN 0.522 nan 8.230 nan 0.000 0.457 605 I N -0.050 120.529 120.570 0.016 0.000 2.371 605 I HA 0.048 4.220 4.170 0.004 0.000 0.282 605 I C 1.196 177.313 176.117 -0.000 0.000 1.031 605 I CA -0.059 61.183 61.300 -0.096 0.000 1.180 605 I CB 1.760 39.570 38.000 -0.317 0.000 1.336 605 I HN 0.044 nan 8.210 nan 0.000 0.467 606 E N 3.910 124.105 120.200 -0.009 0.000 2.051 606 E HA -0.231 4.121 4.350 0.004 0.000 0.192 606 E C 0.583 177.196 176.600 0.021 0.000 0.991 606 E CA 1.158 57.565 56.400 0.012 0.000 0.799 606 E CB 0.284 29.988 29.700 0.006 0.000 0.748 606 E HN 0.572 nan 8.360 nan 0.000 0.449 607 D N 0.082 120.485 120.400 0.005 0.000 2.631 607 D HA -0.039 4.603 4.640 0.004 0.000 0.227 607 D C -1.588 174.730 176.300 0.031 0.000 1.146 607 D CA -0.271 53.737 54.000 0.014 0.000 1.009 607 D CB -0.468 40.330 40.800 -0.002 0.000 1.057 607 D HN 0.131 nan 8.370 nan 0.000 0.509 608 Y N 3.032 123.267 120.300 -0.108 0.000 2.593 608 Y HA 0.388 4.939 4.550 0.003 0.000 0.331 608 Y C -2.019 173.796 175.900 -0.142 0.000 0.986 608 Y CA -3.051 54.968 58.100 -0.134 0.000 1.262 608 Y CB 1.361 39.743 38.460 -0.129 0.000 1.098 608 Y HN 0.134 nan 8.280 nan 0.000 0.506 609 P HA -0.217 nan 4.420 nan 0.000 0.216 609 P C 1.362 178.539 177.300 -0.204 0.000 1.153 609 P CA 1.544 64.544 63.100 -0.167 0.000 0.848 609 P CB -0.061 31.371 31.700 -0.447 0.000 0.787 610 Y N 1.006 121.124 120.300 -0.303 0.000 2.128 610 Y HA -0.232 4.320 4.550 0.004 0.000 0.284 610 Y C 2.303 178.111 175.900 -0.152 0.000 1.154 610 Y CA 1.843 59.894 58.100 -0.082 0.000 1.149 610 Y CB -1.168 37.328 38.460 0.059 0.000 0.976 610 Y HN -0.119 nan 8.280 nan 0.000 0.505 611 A N 0.506 122.847 122.820 -0.797 0.000 1.898 611 A HA -0.001 4.321 4.320 0.004 0.000 0.216 611 A C 2.431 179.700 177.584 -0.525 0.000 1.181 611 A CA 1.792 53.272 52.037 -0.928 0.000 0.620 611 A CB -1.475 16.761 19.000 -1.273 0.000 0.819 611 A HN 0.635 nan 8.150 nan 0.000 0.442 612 A N 0.142 122.775 122.820 -0.312 0.000 1.898 612 A HA -0.127 4.195 4.320 0.004 0.000 0.216 612 A C 1.728 179.246 177.584 -0.110 0.000 1.181 612 A CA 1.847 53.787 52.037 -0.162 0.000 0.620 612 A CB -0.522 18.446 19.000 -0.053 0.000 0.819 612 A HN 0.437 nan 8.150 nan 0.000 0.442 613 D N -0.205 120.169 120.400 -0.043 0.000 2.149 613 D HA -0.026 4.616 4.640 0.004 0.000 0.201 613 D C 2.071 178.383 176.300 0.019 0.000 0.972 613 D CA 1.330 55.363 54.000 0.055 0.000 0.835 613 D CB -0.798 40.132 40.800 0.217 0.000 0.966 613 D HN 0.406 nan 8.370 nan 0.000 0.476 614 G N 0.940 109.683 108.800 -0.095 0.000 2.440 614 G HA2 -0.231 3.732 3.960 0.004 0.000 0.218 614 G HA3 -0.231 3.732 3.960 0.004 0.000 0.218 614 G C 1.727 176.574 174.900 -0.088 0.000 1.154 614 G CA 0.401 45.493 45.100 -0.013 0.000 0.767 614 G HN 0.255 nan 8.290 nan 0.000 0.552 615 L N 0.224 121.257 121.223 -0.317 0.000 2.083 615 L HA -0.077 4.265 4.340 0.004 0.000 0.209 615 L C 2.982 179.651 176.870 -0.336 0.000 1.083 615 L CA 1.044 55.589 54.840 -0.491 0.000 0.752 615 L CB -0.284 41.283 42.059 -0.819 0.000 0.899 615 L HN 0.161 nan 8.230 nan 0.000 0.433 616 E N 0.144 120.259 120.200 -0.142 0.000 2.051 616 E HA -0.200 4.152 4.350 0.004 0.000 0.192 616 E C 2.270 178.957 176.600 0.145 0.000 0.991 616 E CA 1.180 57.618 56.400 0.064 0.000 0.799 616 E CB -0.173 29.578 29.700 0.086 0.000 0.748 616 E HN 0.406 nan 8.360 nan 0.000 0.449 617 I N 0.563 121.251 120.570 0.196 0.000 2.202 617 I HA -0.236 3.937 4.170 0.004 0.000 0.242 617 I C 2.421 178.760 176.117 0.371 0.000 1.091 617 I CA 0.868 62.350 61.300 0.303 0.000 1.368 617 I CB -1.294 36.938 38.000 0.387 0.000 1.058 617 I HN 0.316 nan 8.210 nan 0.000 0.410 618 W N 2.600 123.974 121.300 0.124 0.000 2.318 618 W HA -0.289 4.373 4.660 0.003 0.000 0.313 618 W C 2.485 179.008 176.519 0.007 0.000 1.221 618 W CA 2.528 59.838 57.345 -0.059 0.000 1.266 618 W CB -0.187 28.970 29.460 -0.505 0.000 1.150 618 W HN 0.157 nan 8.180 nan 0.000 0.496 619 A N 0.825 123.730 122.820 0.142 0.000 1.930 619 A HA -0.032 4.291 4.320 0.004 0.000 0.217 619 A C 2.201 179.831 177.584 0.075 0.000 1.175 619 A CA 2.588 54.691 52.037 0.110 0.000 0.627 619 A CB -1.282 17.893 19.000 0.292 0.000 0.815 619 A HN 0.340 nan 8.150 nan 0.000 0.443 620 A N 0.114 123.032 122.820 0.162 0.000 1.877 620 A HA -0.090 4.232 4.320 0.004 0.000 0.216 620 A C 2.100 179.847 177.584 0.272 0.000 1.186 620 A CA 1.558 53.753 52.037 0.263 0.000 0.620 620 A CB -0.628 18.565 19.000 0.323 0.000 0.822 620 A HN 0.496 nan 8.150 nan 0.000 0.443 621 I N -0.477 120.204 120.570 0.185 0.000 2.226 621 I HA -0.272 3.900 4.170 0.004 0.000 0.245 621 I C 2.513 178.509 176.117 -0.201 0.000 1.100 621 I CA 1.875 63.153 61.300 -0.036 0.000 1.374 621 I CB -0.262 37.736 38.000 -0.003 0.000 1.057 621 I HN 0.374 nan 8.210 nan 0.000 0.413 622 K N 0.715 120.925 120.400 -0.317 0.000 2.032 622 K HA -0.200 4.122 4.320 0.004 0.000 0.209 622 K C 2.099 178.608 176.600 -0.151 0.000 1.048 622 K CA 2.115 58.200 56.287 -0.336 0.000 0.927 622 K CB -0.150 32.096 32.500 -0.424 0.000 0.712 622 K HN 0.222 nan 8.250 nan 0.000 0.441 623 T N 0.829 115.356 114.554 -0.045 0.000 2.720 623 T HA -0.209 4.144 4.350 0.004 0.000 0.268 623 T C 1.217 175.962 174.700 0.076 0.000 1.037 623 T CA 1.481 63.602 62.100 0.035 0.000 1.144 623 T CB -0.416 68.510 68.868 0.097 0.000 0.864 623 T HN 0.545 nan 8.240 nan 0.000 0.444 624 W N 1.707 122.897 121.300 -0.182 0.000 2.354 624 W HA -0.193 4.468 4.660 0.003 0.000 0.315 624 W C 1.769 178.208 176.519 -0.132 0.000 1.206 624 W CA 0.698 57.897 57.345 -0.244 0.000 1.290 624 W CB -0.531 28.429 29.460 -0.834 0.000 1.152 624 W HN 0.040 nan 8.180 nan 0.000 0.489 625 V N 1.814 121.448 119.914 -0.468 0.000 2.295 625 V HA -0.348 3.774 4.120 0.004 0.000 0.246 625 V C 2.490 178.439 176.094 -0.242 0.000 1.049 625 V CA 2.415 64.407 62.300 -0.513 0.000 1.024 625 V CB -1.198 30.391 31.823 -0.390 0.000 0.648 625 V HN 0.271 nan 8.190 nan 0.000 0.447 626 Q N -0.579 119.131 119.800 -0.150 0.000 2.226 626 Q HA -0.262 4.081 4.340 0.004 0.000 0.204 626 Q C 2.287 178.271 176.000 -0.028 0.000 0.975 626 Q CA 1.769 57.530 55.803 -0.071 0.000 0.866 626 Q CB -0.089 28.619 28.738 -0.050 0.000 0.915 626 Q HN 0.730 nan 8.270 nan 0.000 0.440 627 E N -0.569 119.630 120.200 -0.001 0.000 2.170 627 E HA -0.156 4.196 4.350 0.004 0.000 0.191 627 E C 1.519 178.143 176.600 0.040 0.000 0.981 627 E CA 0.336 56.768 56.400 0.053 0.000 0.830 627 E CB 0.075 29.869 29.700 0.157 0.000 0.775 627 E HN 0.361 nan 8.360 nan 0.000 0.470 628 Y N 0.377 120.561 120.300 -0.194 0.000 2.176 628 Y HA -0.152 4.401 4.550 0.003 0.000 0.291 628 Y C 2.049 177.936 175.900 -0.022 0.000 1.122 628 Y CA 1.255 59.237 58.100 -0.196 0.000 1.128 628 Y CB -0.285 37.773 38.460 -0.670 0.000 1.005 628 Y HN -0.146 nan 8.280 nan 0.000 0.509 629 V N 1.601 121.580 119.914 0.108 0.000 2.250 629 V HA -0.297 3.825 4.120 0.004 0.000 0.250 629 V C -0.610 175.560 176.094 0.127 0.000 1.060 629 V CA 2.643 65.041 62.300 0.163 0.000 1.030 629 V CB -1.837 30.036 31.823 0.083 0.000 0.643 629 V HN 0.334 nan 8.190 nan 0.000 0.445 630 P HA -0.048 nan 4.420 nan 0.000 0.230 630 P C 1.622 178.832 177.300 -0.151 0.000 1.158 630 P CA 1.001 64.087 63.100 -0.023 0.000 0.769 630 P CB -0.097 31.583 31.700 -0.033 0.000 0.807 631 L N -2.996 118.044 121.223 -0.306 0.000 2.376 631 L HA -0.093 4.249 4.340 0.004 0.000 0.219 631 L C 1.375 177.679 176.870 -0.944 0.000 1.133 631 L CA 1.351 55.800 54.840 -0.651 0.000 0.816 631 L CB -0.521 40.996 42.059 -0.904 0.000 0.933 631 L HN 0.054 nan 8.230 nan 0.000 0.449 632 Y N -3.018 117.104 120.300 -0.297 0.000 2.432 632 Y HA 0.210 4.762 4.550 0.004 0.000 0.252 632 Y C -0.347 175.128 175.900 -0.709 0.000 1.097 632 Y CA -0.748 57.051 58.100 -0.502 0.000 1.250 632 Y CB 0.507 38.605 38.460 -0.602 0.000 1.245 632 Y HN -0.090 nan 8.280 nan 0.000 0.522 633 Y N -0.859 119.431 120.300 -0.017 0.000 2.373 633 Y HA 0.569 5.121 4.550 0.004 0.000 0.327 633 Y C 0.637 176.518 175.900 -0.032 0.000 1.036 633 Y CA -0.966 57.130 58.100 -0.006 0.000 1.265 633 Y CB 1.413 39.884 38.460 0.017 0.000 1.108 633 Y HN -0.024 nan 8.280 nan 0.000 0.471 634 A N 3.373 126.228 122.820 0.058 0.000 1.975 634 A HA 0.206 4.528 4.320 0.004 0.000 0.215 634 A C 0.967 178.575 177.584 0.040 0.000 1.170 634 A CA 0.837 52.888 52.037 0.024 0.000 0.656 634 A CB 0.211 19.204 19.000 -0.011 0.000 0.821 634 A HN 0.594 nan 8.150 nan 0.000 0.449 635 R N -1.540 118.999 120.500 0.064 0.000 2.799 635 R HA 0.271 4.613 4.340 0.004 0.000 0.270 635 R C -0.830 175.510 176.300 0.065 0.000 1.010 635 R CA -0.707 55.425 56.100 0.052 0.000 0.916 635 R CB 0.462 30.786 30.300 0.039 0.000 1.228 635 R HN -0.005 nan 8.270 nan 0.000 0.469 636 D N 1.484 121.909 120.400 0.042 0.000 2.182 636 D HA -0.166 4.476 4.640 0.004 0.000 0.201 636 D C 1.040 177.367 176.300 0.045 0.000 0.986 636 D CA 2.067 56.086 54.000 0.032 0.000 0.847 636 D CB -0.108 40.705 40.800 0.021 0.000 0.942 636 D HN 0.599 nan 8.370 nan 0.000 0.467 637 D N 0.178 120.611 120.400 0.054 0.000 2.219 637 D HA -0.138 4.504 4.640 0.004 0.000 0.205 637 D C 1.305 177.662 176.300 0.096 0.000 0.970 637 D CA 0.744 54.781 54.000 0.062 0.000 0.851 637 D CB -0.188 40.643 40.800 0.052 0.000 0.943 637 D HN 0.065 nan 8.370 nan 0.000 0.488 638 D N 0.344 120.823 120.400 0.132 0.000 2.178 638 D HA -0.082 4.561 4.640 0.004 0.000 0.202 638 D C 2.272 178.758 176.300 0.310 0.000 0.974 638 D CA 0.552 54.684 54.000 0.220 0.000 0.841 638 D CB 0.050 41.003 40.800 0.255 0.000 0.953 638 D HN 0.205 nan 8.370 nan 0.000 0.478 639 V N 1.216 121.231 119.914 0.169 0.000 2.307 639 V HA -0.225 3.897 4.120 0.004 0.000 0.245 639 V C 2.353 178.496 176.094 0.081 0.000 1.045 639 V CA 1.472 63.777 62.300 0.008 0.000 1.024 639 V CB -0.394 31.343 31.823 -0.143 0.000 0.651 639 V HN 0.124 nan 8.190 nan 0.000 0.449 640 K N 0.488 120.935 120.400 0.078 0.000 2.057 640 K HA -0.121 4.202 4.320 0.004 0.000 0.207 640 K C 1.676 178.338 176.600 0.103 0.000 1.049 640 K CA 1.517 57.852 56.287 0.080 0.000 0.931 640 K CB -0.238 32.300 32.500 0.062 0.000 0.714 640 K HN 0.420 nan 8.250 nan 0.000 0.440 641 N N 1.283 120.051 118.700 0.113 0.000 2.398 641 N HA -0.075 4.667 4.740 0.004 0.000 0.188 641 N C -0.282 175.315 175.510 0.146 0.000 1.122 641 N CA 0.453 53.572 53.050 0.115 0.000 0.866 641 N CB 0.072 38.614 38.487 0.091 0.000 0.970 641 N HN 0.138 nan 8.380 nan 0.000 0.462 642 D N 0.380 120.898 120.400 0.196 0.000 2.374 642 D HA 0.059 4.701 4.640 0.004 0.000 0.240 642 D C 0.993 177.437 176.300 0.240 0.000 1.229 642 D CA 0.055 54.204 54.000 0.249 0.000 0.895 642 D CB 0.830 41.864 40.800 0.391 0.000 1.046 642 D HN -0.096 nan 8.370 nan 0.000 0.498 643 S N 3.451 119.270 115.700 0.198 0.000 2.383 643 S HA -0.147 4.325 4.470 0.004 0.000 0.227 643 S C 1.502 176.236 174.600 0.223 0.000 1.026 643 S CA 1.134 59.455 58.200 0.200 0.000 0.981 643 S CB 0.053 63.305 63.200 0.085 0.000 0.818 643 S HN 0.565 nan 8.310 nan 0.000 0.472 644 E N 0.141 120.455 120.200 0.190 0.000 2.047 644 E HA -0.121 4.231 4.350 0.004 0.000 0.191 644 E C 2.057 178.814 176.600 0.263 0.000 0.987 644 E CA 1.204 57.722 56.400 0.196 0.000 0.799 644 E CB -0.253 29.542 29.700 0.157 0.000 0.752 644 E HN 0.359 nan 8.360 nan 0.000 0.449 645 L N 1.261 122.642 121.223 0.263 0.000 2.046 645 L HA -0.232 4.110 4.340 0.004 0.000 0.208 645 L C 2.229 179.367 176.870 0.447 0.000 1.077 645 L CA 1.688 56.720 54.840 0.319 0.000 0.747 645 L CB -0.254 41.967 42.059 0.271 0.000 0.896 645 L HN 0.052 nan 8.230 nan 0.000 0.432 646 Q N -1.040 118.965 119.800 0.342 0.000 2.084 646 Q HA -0.217 4.126 4.340 0.004 0.000 0.202 646 Q C 2.283 178.399 176.000 0.194 0.000 0.978 646 Q CA 1.845 57.809 55.803 0.269 0.000 0.844 646 Q CB -0.590 28.274 28.738 0.211 0.000 0.898 646 Q HN 0.618 nan 8.270 nan 0.000 0.426 647 H N -1.059 118.055 119.070 0.072 0.000 2.387 647 H HA -0.138 4.420 4.556 0.004 0.000 0.299 647 H C 1.494 176.676 175.328 -0.243 0.000 1.090 647 H CA 1.458 57.417 56.048 -0.150 0.000 1.332 647 H CB -0.474 29.171 29.762 -0.195 0.000 1.386 647 H HN 0.376 nan 8.280 nan 0.000 0.516 648 W N 0.512 121.814 121.300 0.003 0.000 2.333 648 W HA -0.254 4.408 4.660 0.003 0.000 0.316 648 W C 2.377 178.987 176.519 0.152 0.000 1.215 648 W CA 1.663 59.082 57.345 0.123 0.000 1.278 648 W CB -0.770 28.813 29.460 0.204 0.000 1.154 648 W HN 0.343 nan 8.180 nan 0.000 0.486 649 W N 1.795 122.965 121.300 -0.216 0.000 2.418 649 W HA -0.164 4.498 4.660 0.004 0.000 0.292 649 W C 2.296 178.564 176.519 -0.419 0.000 1.213 649 W CA 1.667 58.689 57.345 -0.538 0.000 1.283 649 W CB -0.484 28.822 29.460 -0.257 0.000 1.119 649 W HN -0.055 nan 8.180 nan 0.000 0.542 650 K N 0.891 121.128 120.400 -0.272 0.000 2.032 650 K HA -0.292 4.030 4.320 0.004 0.000 0.209 650 K C 2.026 178.337 176.600 -0.481 0.000 1.048 650 K CA 2.130 58.181 56.287 -0.394 0.000 0.927 650 K CB -0.499 31.828 32.500 -0.289 0.000 0.712 650 K HN 0.111 nan 8.250 nan 0.000 0.441 651 E N -0.475 119.486 120.200 -0.399 0.000 2.072 651 E HA -0.144 4.208 4.350 0.004 0.000 0.190 651 E C 1.818 178.138 176.600 -0.468 0.000 0.982 651 E CA 0.796 56.994 56.400 -0.337 0.000 0.803 651 E CB -0.086 29.553 29.700 -0.101 0.000 0.755 651 E HN 0.441 nan 8.360 nan 0.000 0.453 652 A N 0.488 122.974 122.820 -0.557 0.000 1.908 652 A HA -0.169 4.153 4.320 0.004 0.000 0.218 652 A C 2.344 179.405 177.584 -0.871 0.000 1.181 652 A CA 1.653 53.291 52.037 -0.665 0.000 0.627 652 A CB -0.623 17.943 19.000 -0.724 0.000 0.818 652 A HN 0.218 nan 8.150 nan 0.000 0.445 653 V N -0.272 118.946 119.914 -1.161 0.000 2.302 653 V HA -0.178 3.945 4.120 0.004 0.000 0.243 653 V C 2.312 177.905 176.094 -0.834 0.000 1.036 653 V CA 2.046 63.539 62.300 -1.345 0.000 1.020 653 V CB -0.803 29.936 31.823 -1.807 0.000 0.657 653 V HN 0.624 nan 8.190 nan 0.000 0.453 654 E N -0.339 119.462 120.200 -0.666 0.000 2.285 654 E HA -0.100 4.253 4.350 0.004 0.000 0.194 654 E C 1.960 178.323 176.600 -0.394 0.000 0.997 654 E CA 0.592 56.720 56.400 -0.454 0.000 0.845 654 E CB 0.125 29.604 29.700 -0.368 0.000 0.782 654 E HN 0.417 nan 8.360 nan 0.000 0.491 655 K N -0.386 119.710 120.400 -0.507 0.000 2.266 655 K HA 0.115 4.437 4.320 0.004 0.000 0.209 655 K C 2.122 178.270 176.600 -0.754 0.000 1.065 655 K CA 0.876 56.797 56.287 -0.611 0.000 0.946 655 K CB -0.826 31.209 32.500 -0.774 0.000 1.069 655 K HN 0.109 nan 8.250 nan 0.000 0.472 656 G N 1.485 109.748 108.800 -0.895 0.000 2.421 656 G HA2 -0.194 3.768 3.960 0.004 0.000 0.216 656 G HA3 -0.194 3.768 3.960 0.004 0.000 0.216 656 G C 0.936 175.472 174.900 -0.605 0.000 1.171 656 G CA 0.762 45.419 45.100 -0.739 0.000 0.775 656 G HN 0.303 nan 8.290 nan 0.000 0.543 657 H N 0.306 119.139 119.070 -0.396 0.000 2.481 657 H HA 0.254 4.812 4.556 0.004 0.000 0.273 657 H C 2.074 177.369 175.328 -0.054 0.000 1.145 657 H CA 0.203 56.185 56.048 -0.111 0.000 0.964 657 H CB 0.464 30.292 29.762 0.110 0.000 1.722 657 H HN 0.326 nan 8.280 nan 0.000 0.573 658 G N 0.285 109.024 108.800 -0.103 0.000 2.470 658 G HA2 -0.205 3.757 3.960 0.004 0.000 0.220 658 G HA3 -0.205 3.757 3.960 0.004 0.000 0.220 658 G C 1.184 176.093 174.900 0.016 0.000 1.121 658 G CA 0.272 45.304 45.100 -0.114 0.000 0.766 658 G HN 0.314 nan 8.290 nan 0.000 0.553 659 D N 0.255 120.731 120.400 0.127 0.000 2.350 659 D HA -0.004 4.639 4.640 0.004 0.000 0.216 659 D C 1.847 178.263 176.300 0.194 0.000 0.968 659 D CA 0.489 54.595 54.000 0.177 0.000 0.894 659 D CB 0.183 41.147 40.800 0.274 0.000 0.909 659 D HN 0.343 nan 8.370 nan 0.000 0.520 660 L N 0.668 122.043 121.223 0.254 0.000 2.910 660 L HA 0.163 4.505 4.340 0.004 0.000 0.252 660 L C 1.976 178.998 176.870 0.253 0.000 1.195 660 L CA -0.188 54.809 54.840 0.262 0.000 1.003 660 L CB 0.261 42.574 42.059 0.423 0.000 1.328 660 L HN -0.067 nan 8.230 nan 0.000 0.540 661 K N -0.014 120.433 120.400 0.079 0.000 2.280 661 K HA -0.180 4.142 4.320 0.004 0.000 0.202 661 K C 1.039 177.607 176.600 -0.054 0.000 1.047 661 K CA 1.643 57.880 56.287 -0.083 0.000 0.942 661 K CB -0.166 32.218 32.500 -0.192 0.000 0.739 661 K HN 0.302 nan 8.250 nan 0.000 0.457 662 D N 0.866 121.248 120.400 -0.031 0.000 2.363 662 D HA -0.061 4.581 4.640 0.004 0.000 0.220 662 D C -0.089 176.148 176.300 -0.105 0.000 0.994 662 D CA 0.417 54.385 54.000 -0.054 0.000 0.890 662 D CB -0.008 40.774 40.800 -0.031 0.000 0.906 662 D HN -0.018 nan 8.370 nan 0.000 0.530 663 K N 1.784 122.064 120.400 -0.200 0.000 2.298 663 K HA 0.148 4.470 4.320 0.004 0.000 0.280 663 K C -1.440 174.837 176.600 -0.538 0.000 1.032 663 K CA -1.742 54.236 56.287 -0.514 0.000 0.958 663 K CB 1.039 32.851 32.500 -1.147 0.000 0.978 663 K HN 0.010 nan 8.250 nan 0.000 0.472 664 P HA -0.051 nan 4.420 nan 0.000 0.236 664 P C 0.629 177.873 177.300 -0.094 0.000 1.177 664 P CA 0.802 63.802 63.100 -0.167 0.000 0.773 664 P CB 0.055 31.726 31.700 -0.049 0.000 0.878 665 W N -2.349 118.941 121.300 -0.016 0.000 3.256 665 W HA 0.196 4.858 4.660 0.004 0.000 0.269 665 W C -0.279 176.249 176.519 0.015 0.000 1.310 665 W CA -1.043 56.269 57.345 -0.055 0.000 1.673 665 W CB -1.288 28.072 29.460 -0.166 0.000 1.115 665 W HN -0.207 nan 8.180 nan 0.000 0.686 666 W N 4.188 125.587 121.300 0.165 0.000 2.251 666 W HA 0.201 4.863 4.660 0.004 0.000 0.327 666 W C -1.738 174.978 176.519 0.328 0.000 1.361 666 W CA -1.517 56.012 57.345 0.307 0.000 1.234 666 W CB -0.079 29.396 29.460 0.024 0.000 1.212 666 W HN -0.388 nan 8.180 nan 0.000 0.557 667 P HA -0.068 nan 4.420 nan 0.000 0.266 667 P C 0.496 178.062 177.300 0.443 0.000 1.195 667 P CA 0.081 63.445 63.100 0.441 0.000 0.768 667 P CB 0.782 32.680 31.700 0.329 0.000 0.838 668 K N 1.869 122.420 120.400 0.252 0.000 2.305 668 K HA 0.070 4.393 4.320 0.004 0.000 0.199 668 K C 0.667 177.353 176.600 0.144 0.000 1.047 668 K CA 0.022 56.438 56.287 0.215 0.000 0.976 668 K CB -0.557 32.023 32.500 0.133 0.000 0.765 668 K HN 0.320 nan 8.250 nan 0.000 0.474 669 L N 1.482 122.707 121.223 0.003 0.000 3.548 669 L HA -0.199 4.143 4.340 0.004 0.000 0.443 669 L C 0.047 176.908 176.870 -0.014 0.000 1.286 669 L CA 0.483 55.265 54.840 -0.097 0.000 0.863 669 L CB -0.712 41.191 42.059 -0.259 0.000 1.734 669 L HN 0.135 nan 8.230 nan 0.000 0.873 670 Q N -1.122 118.679 119.800 0.001 0.000 2.189 670 Q HA 0.412 4.755 4.340 0.004 0.000 0.223 670 Q C 0.733 176.734 176.000 0.001 0.000 0.828 670 Q CA 0.950 56.763 55.803 0.017 0.000 0.967 670 Q CB 1.032 29.791 28.738 0.035 0.000 1.139 670 Q HN 0.743 nan 8.270 nan 0.000 0.497 671 T N -4.133 110.407 114.554 -0.024 0.000 2.864 671 T HA 0.535 4.888 4.350 0.004 0.000 0.299 671 T C 1.021 175.684 174.700 -0.062 0.000 1.166 671 T CA -0.708 61.377 62.100 -0.026 0.000 1.007 671 T CB 0.856 69.719 68.868 -0.009 0.000 1.219 671 T HN -0.071 nan 8.240 nan 0.000 0.506 672 L N 0.442 121.635 121.223 -0.050 0.000 2.042 672 L HA -0.054 4.288 4.340 0.004 0.000 0.210 672 L C 2.951 179.784 176.870 -0.062 0.000 1.076 672 L CA 1.936 56.738 54.840 -0.064 0.000 0.749 672 L CB -0.512 41.534 42.059 -0.021 0.000 0.893 672 L HN 0.920 nan 8.230 nan 0.000 0.432 673 E N 0.325 120.502 120.200 -0.038 0.000 2.070 673 E HA -0.282 4.070 4.350 0.004 0.000 0.197 673 E C 1.684 178.261 176.600 -0.038 0.000 1.004 673 E CA 1.912 58.295 56.400 -0.029 0.000 0.805 673 E CB 0.082 29.776 29.700 -0.009 0.000 0.744 673 E HN 0.406 nan 8.360 nan 0.000 0.451 674 D N -0.032 120.341 120.400 -0.044 0.000 2.117 674 D HA -0.145 4.497 4.640 0.004 0.000 0.198 674 D C 1.832 178.062 176.300 -0.117 0.000 0.982 674 D CA 0.579 54.543 54.000 -0.059 0.000 0.828 674 D CB -0.202 40.563 40.800 -0.059 0.000 0.967 674 D HN 0.154 nan 8.370 nan 0.000 0.464 675 L N 0.274 121.413 121.223 -0.140 0.000 2.046 675 L HA -0.122 4.220 4.340 0.004 0.000 0.208 675 L C 2.106 178.905 176.870 -0.119 0.000 1.077 675 L CA 1.340 56.083 54.840 -0.161 0.000 0.747 675 L CB -0.532 41.389 42.059 -0.231 0.000 0.896 675 L HN -0.080 nan 8.230 nan 0.000 0.432 676 V N -0.065 119.787 119.914 -0.104 0.000 2.287 676 V HA -0.326 3.796 4.120 0.004 0.000 0.248 676 V C 2.605 178.641 176.094 -0.097 0.000 1.053 676 V CA 2.082 64.319 62.300 -0.105 0.000 1.027 676 V CB -0.699 31.068 31.823 -0.093 0.000 0.646 676 V HN 0.622 nan 8.190 nan 0.000 0.447 677 E N -0.051 120.114 120.200 -0.059 0.000 2.058 677 E HA -0.218 4.135 4.350 0.004 0.000 0.194 677 E C 2.217 178.835 176.600 0.030 0.000 0.997 677 E CA 1.935 58.327 56.400 -0.012 0.000 0.801 677 E CB -0.071 29.648 29.700 0.031 0.000 0.746 677 E HN 0.404 nan 8.360 nan 0.000 0.450 678 V N 0.435 120.368 119.914 0.031 0.000 2.358 678 V HA -0.306 3.816 4.120 0.004 0.000 0.246 678 V C 2.545 178.726 176.094 0.144 0.000 1.047 678 V CA 1.658 64.037 62.300 0.132 0.000 1.035 678 V CB -0.373 31.290 31.823 -0.266 0.000 0.658 678 V HN 0.546 nan 8.190 nan 0.000 0.452 679 C N -0.540 118.781 119.300 0.034 0.000 2.446 679 C HA -0.104 4.358 4.460 0.004 0.000 0.277 679 C C 2.636 177.590 174.990 -0.061 0.000 1.275 679 C CA 0.941 59.959 59.018 -0.001 0.000 1.727 679 C CB -1.016 26.670 27.740 -0.090 0.000 2.010 679 C HN 0.619 nan 8.230 nan 0.000 0.486 680 L N 1.171 122.319 121.223 -0.126 0.000 2.012 680 L HA -0.104 4.239 4.340 0.004 0.000 0.210 680 L C 2.175 178.986 176.870 -0.098 0.000 1.073 680 L CA 1.958 56.654 54.840 -0.240 0.000 0.748 680 L CB -0.715 41.095 42.059 -0.415 0.000 0.891 680 L HN 0.331 nan 8.230 nan 0.000 0.431 681 I N -0.936 119.647 120.570 0.021 0.000 2.252 681 I HA -0.306 3.866 4.170 0.004 0.000 0.245 681 I C 2.425 178.658 176.117 0.192 0.000 1.102 681 I CA 1.438 62.810 61.300 0.119 0.000 1.385 681 I CB -0.239 37.618 38.000 -0.239 0.000 1.064 681 I HN 0.252 nan 8.210 nan 0.000 0.414 682 I N 0.696 121.375 120.570 0.181 0.000 2.179 682 I HA -0.308 3.864 4.170 0.004 0.000 0.242 682 I C 2.436 178.642 176.117 0.147 0.000 1.088 682 I CA 1.698 63.120 61.300 0.202 0.000 1.357 682 I CB -0.223 37.896 38.000 0.197 0.000 1.051 682 I HN 0.145 nan 8.210 nan 0.000 0.409 683 I N -0.242 120.334 120.570 0.010 0.000 2.226 683 I HA -0.322 3.851 4.170 0.004 0.000 0.245 683 I C 2.462 178.596 176.117 0.029 0.000 1.100 683 I CA 1.354 62.543 61.300 -0.184 0.000 1.374 683 I CB -0.509 37.251 38.000 -0.400 0.000 1.057 683 I HN 0.533 nan 8.210 nan 0.000 0.413 684 W N 2.341 123.653 121.300 0.020 0.000 2.355 684 W HA -0.219 4.444 4.660 0.004 0.000 0.309 684 W C 2.266 178.911 176.519 0.210 0.000 1.206 684 W CA 1.597 59.043 57.345 0.169 0.000 1.284 684 W CB -0.313 29.354 29.460 0.346 0.000 1.145 684 W HN 0.061 nan 8.180 nan 0.000 0.502 685 I N 1.617 122.271 120.570 0.140 0.000 2.163 685 I HA -0.324 3.848 4.170 0.004 0.000 0.243 685 I C 2.759 178.905 176.117 0.048 0.000 1.085 685 I CA 2.011 63.357 61.300 0.077 0.000 1.347 685 I CB -1.022 37.141 38.000 0.271 0.000 1.044 685 I HN -0.016 nan 8.210 nan 0.000 0.408 686 A N 0.026 122.912 122.820 0.110 0.000 2.014 686 A HA -0.127 4.196 4.320 0.004 0.000 0.218 686 A C 2.309 179.974 177.584 0.135 0.000 1.163 686 A CA 1.853 53.969 52.037 0.132 0.000 0.652 686 A CB -0.413 18.720 19.000 0.222 0.000 0.808 686 A HN 0.551 nan 8.150 nan 0.000 0.449 687 S N -0.945 114.810 115.700 0.092 0.000 2.696 687 S HA 0.465 4.937 4.470 0.004 0.000 0.172 687 S C 2.149 176.773 174.600 0.040 0.000 0.767 687 S CA 0.730 59.011 58.200 0.134 0.000 0.856 687 S CB -0.840 62.471 63.200 0.186 0.000 0.782 687 S HN 0.749 nan 8.310 nan 0.000 0.582 688 A N 1.298 124.021 122.820 -0.162 0.000 1.898 688 A HA 0.157 4.479 4.320 0.004 0.000 0.216 688 A C 2.288 179.615 177.584 -0.430 0.000 1.181 688 A CA 1.527 53.388 52.037 -0.293 0.000 0.620 688 A CB -1.098 17.651 19.000 -0.418 0.000 0.819 688 A HN 0.548 nan 8.150 nan 0.000 0.442 689 L N -0.533 120.210 121.223 -0.800 0.000 1.994 689 L HA -0.210 4.133 4.340 0.004 0.000 0.208 689 L C 2.452 179.295 176.870 -0.045 0.000 1.071 689 L CA 2.767 57.376 54.840 -0.385 0.000 0.745 689 L CB -0.854 40.974 42.059 -0.386 0.000 0.892 689 L HN 0.648 nan 8.230 nan 0.000 0.431 690 H N -0.448 118.589 119.070 -0.055 0.000 2.352 690 H HA -0.158 4.401 4.556 0.004 0.000 0.299 690 H C 1.891 177.290 175.328 0.118 0.000 1.097 690 H CA 1.609 57.693 56.048 0.060 0.000 1.311 690 H CB 0.194 29.990 29.762 0.056 0.000 1.377 690 H HN 0.496 nan 8.280 nan 0.000 0.504 691 A N 1.230 124.115 122.820 0.108 0.000 1.902 691 A HA -0.101 4.222 4.320 0.004 0.000 0.217 691 A C 2.715 180.392 177.584 0.155 0.000 1.181 691 A CA 1.882 54.083 52.037 0.273 0.000 0.623 691 A CB -1.093 18.110 19.000 0.338 0.000 0.818 691 A HN 0.582 nan 8.150 nan 0.000 0.443 692 A N -0.300 122.584 122.820 0.107 0.000 1.969 692 A HA 0.053 4.375 4.320 0.004 0.000 0.218 692 A C 2.142 179.768 177.584 0.070 0.000 1.169 692 A CA 1.956 54.078 52.037 0.142 0.000 0.635 692 A CB -0.869 18.316 19.000 0.308 0.000 0.810 692 A HN 1.191 nan 8.150 nan 0.000 0.445 693 V N -2.686 117.235 119.914 0.012 0.000 3.506 693 V HA 0.106 4.228 4.120 0.004 0.000 0.263 693 V C 1.464 177.551 176.094 -0.012 0.000 1.203 693 V CA 1.789 64.135 62.300 0.076 0.000 1.133 693 V CB -0.697 31.203 31.823 0.128 0.000 0.802 693 V HN 0.495 nan 8.190 nan 0.000 0.459 694 N N 0.093 118.609 118.700 -0.306 0.000 2.499 694 N HA 0.188 4.930 4.740 0.004 0.000 0.182 694 N C 1.190 176.392 175.510 -0.512 0.000 1.034 694 N CA 0.736 53.431 53.050 -0.591 0.000 0.882 694 N CB -0.053 37.744 38.487 -1.149 0.000 1.125 694 N HN 0.391 nan 8.380 nan 0.000 0.436 695 F N -0.081 119.819 119.950 -0.085 0.000 2.811 695 F HA 0.359 4.889 4.527 0.003 0.000 0.301 695 F C 2.014 177.851 175.800 0.062 0.000 1.151 695 F CA 0.336 58.304 58.000 -0.053 0.000 1.412 695 F CB 0.017 38.953 39.000 -0.106 0.000 1.113 695 F HN 0.130 nan 8.300 nan 0.000 0.579 696 G N -1.064 107.858 108.800 0.204 0.000 3.042 696 G HA2 -0.022 3.940 3.960 0.004 0.000 0.212 696 G HA3 -0.022 3.940 3.960 0.004 0.000 0.212 696 G C 1.362 176.421 174.900 0.265 0.000 1.166 696 G CA -0.059 45.274 45.100 0.389 0.000 0.767 696 G HN 0.276 nan 8.290 nan 0.000 0.546 697 Q N -0.606 119.273 119.800 0.131 0.000 2.020 697 Q HA -0.148 4.194 4.340 0.004 0.000 0.202 697 Q C 2.000 178.073 176.000 0.121 0.000 0.982 697 Q CA 1.354 57.216 55.803 0.097 0.000 0.838 697 Q CB -0.216 28.563 28.738 0.067 0.000 0.899 697 Q HN 0.600 nan 8.270 nan 0.000 0.423 698 Y N 0.931 121.260 120.300 0.047 0.000 2.263 698 Y HA -0.068 4.485 4.550 0.004 0.000 0.292 698 Y C -0.971 174.924 175.900 -0.009 0.000 1.130 698 Y CA 0.868 58.987 58.100 0.031 0.000 1.179 698 Y CB -0.602 37.889 38.460 0.052 0.000 0.998 698 Y HN 0.084 nan 8.280 nan 0.000 0.532 699 P HA -0.191 nan 4.420 nan 0.000 0.215 699 P C 0.752 177.820 177.300 -0.388 0.000 1.153 699 P CA 1.997 64.976 63.100 -0.201 0.000 0.853 699 P CB -0.138 31.246 31.700 -0.526 0.000 0.788 700 Y N -1.780 118.441 120.300 -0.132 0.000 2.389 700 Y HA 0.239 4.791 4.550 0.003 0.000 0.292 700 Y C 2.534 178.312 175.900 -0.203 0.000 1.117 700 Y CA 1.267 59.284 58.100 -0.138 0.000 1.195 700 Y CB -1.010 37.417 38.460 -0.055 0.000 1.076 700 Y HN -0.105 nan 8.280 nan 0.000 0.548 701 G N -1.148 107.614 108.800 -0.064 0.000 3.088 701 G HA2 0.089 4.051 3.960 0.004 0.000 0.217 701 G HA3 0.089 4.051 3.960 0.004 0.000 0.217 701 G C 1.772 176.471 174.900 -0.335 0.000 1.159 701 G CA 0.489 45.495 45.100 -0.155 0.000 0.760 701 G HN 0.449 nan 8.290 nan 0.000 0.550 702 G N 0.270 108.708 108.800 -0.602 0.000 2.559 702 G HA2 0.073 4.035 3.960 0.004 0.000 0.216 702 G HA3 0.073 4.035 3.960 0.004 0.000 0.216 702 G C 0.507 175.041 174.900 -0.610 0.000 1.126 702 G CA 0.117 44.605 45.100 -1.020 0.000 0.778 702 G HN 0.382 nan 8.290 nan 0.000 0.543 703 L N 0.825 121.763 121.223 -0.475 0.000 2.264 703 L HA 0.499 4.841 4.340 0.004 0.000 0.287 703 L C 1.196 177.766 176.870 -0.501 0.000 1.039 703 L CA -0.703 53.860 54.840 -0.461 0.000 0.829 703 L CB 1.277 43.047 42.059 -0.481 0.000 1.211 703 L HN -0.024 nan 8.230 nan 0.000 0.427 704 I N 4.375 124.659 120.570 -0.476 0.000 2.454 704 I HA -0.206 3.966 4.170 0.004 0.000 0.254 704 I C 1.759 177.613 176.117 -0.439 0.000 1.156 704 I CA 1.637 62.704 61.300 -0.388 0.000 1.433 704 I CB 0.041 37.862 38.000 -0.299 0.000 1.082 704 I HN 0.809 nan 8.210 nan 0.000 0.432 705 M N -0.158 119.038 119.600 -0.673 0.000 2.279 705 M HA -0.138 4.344 4.480 0.004 0.000 0.264 705 M C 1.939 177.755 176.300 -0.806 0.000 1.062 705 M CA 1.445 56.278 55.300 -0.777 0.000 1.099 705 M CB -0.837 30.800 32.600 -1.606 0.000 1.394 705 M HN 0.244 nan 8.290 nan 0.000 0.426 706 N N 0.366 118.584 118.700 -0.803 0.000 2.300 706 N HA -0.026 4.716 4.740 0.004 0.000 0.179 706 N C -0.018 175.410 175.510 -0.136 0.000 1.016 706 N CA 0.835 53.674 53.050 -0.351 0.000 0.876 706 N CB 0.440 38.772 38.487 -0.259 0.000 0.979 706 N HN 0.015 nan 8.380 nan 0.000 0.432 707 R N 0.688 121.076 120.500 -0.187 0.000 2.681 707 R HA 0.340 4.682 4.340 0.004 0.000 0.277 707 R C -2.663 173.547 176.300 -0.150 0.000 1.563 707 R CA -1.682 54.349 56.100 -0.114 0.000 1.673 707 R CB 0.902 31.150 30.300 -0.085 0.000 1.258 707 R HN 0.275 nan 8.270 nan 0.000 0.650 708 P HA 0.024 nan 4.420 nan 0.000 0.268 708 P C 0.787 177.958 177.300 -0.216 0.000 1.205 708 P CA 0.206 63.184 63.100 -0.203 0.000 0.771 708 P CB 0.896 32.466 31.700 -0.217 0.000 0.858 709 T N -0.937 113.414 114.554 -0.338 0.000 3.060 709 T HA 0.481 4.833 4.350 0.004 0.000 0.249 709 T C 0.538 175.010 174.700 -0.380 0.000 1.079 709 T CA 0.113 61.860 62.100 -0.589 0.000 1.013 709 T CB 0.061 68.217 68.868 -1.187 0.000 0.975 709 T HN 0.634 nan 8.240 nan 0.000 0.518 710 A N 0.927 123.606 122.820 -0.236 0.000 2.605 710 A HA 0.712 5.034 4.320 0.004 0.000 0.294 710 A C -0.709 176.804 177.584 -0.118 0.000 1.062 710 A CA -0.717 51.241 52.037 -0.130 0.000 0.682 710 A CB 1.249 20.170 19.000 -0.131 0.000 1.278 710 A HN 0.638 nan 8.150 nan 0.000 0.410 711 S N 0.133 115.802 115.700 -0.052 0.000 2.542 711 S HA 0.753 5.226 4.470 0.004 0.000 0.293 711 S C -0.029 174.577 174.600 0.009 0.000 1.089 711 S CA -0.848 57.328 58.200 -0.041 0.000 0.961 711 S CB 1.986 65.209 63.200 0.038 0.000 1.062 711 S HN 0.727 nan 8.310 nan 0.000 0.483 712 R N 0.237 120.739 120.500 0.005 0.000 2.487 712 R HA 0.279 4.621 4.340 0.004 0.000 0.272 712 R C 0.185 176.504 176.300 0.033 0.000 0.928 712 R CA -0.071 56.034 56.100 0.008 0.000 1.077 712 R CB 0.521 30.810 30.300 -0.018 0.000 1.265 712 R HN 0.828 nan 8.270 nan 0.000 0.537 713 R N -0.109 120.438 120.500 0.078 0.000 2.710 713 R HA 0.378 4.720 4.340 0.004 0.000 0.270 713 R C -1.031 175.369 176.300 0.167 0.000 1.021 713 R CA -0.821 55.332 56.100 0.088 0.000 0.889 713 R CB 1.064 31.412 30.300 0.080 0.000 1.243 713 R HN -0.158 nan 8.270 nan 0.000 0.464 714 L N 1.220 122.480 121.223 0.061 0.000 2.488 714 L HA 0.407 4.749 4.340 0.004 0.000 0.249 714 L C 0.535 177.539 176.870 0.224 0.000 1.151 714 L CA -1.225 53.616 54.840 0.002 0.000 0.806 714 L CB 0.333 42.289 42.059 -0.173 0.000 1.261 714 L HN 0.418 nan 8.230 nan 0.000 0.484 715 L N 1.927 123.327 121.223 0.295 0.000 2.485 715 L HA 0.138 4.480 4.340 0.004 0.000 0.275 715 L C -1.824 175.182 176.870 0.226 0.000 1.207 715 L CA -1.423 53.592 54.840 0.292 0.000 0.855 715 L CB 0.089 42.307 42.059 0.264 0.000 1.114 715 L HN 0.395 nan 8.230 nan 0.000 0.485 716 P HA 0.139 nan 4.420 nan 0.000 0.276 716 P C -1.023 176.445 177.300 0.281 0.000 1.244 716 P CA -0.600 62.638 63.100 0.229 0.000 0.801 716 P CB 0.779 32.620 31.700 0.235 0.000 1.006 717 E N 1.427 121.742 120.200 0.192 0.000 2.354 717 E HA 0.130 4.482 4.350 0.004 0.000 0.269 717 E C 0.189 176.793 176.600 0.007 0.000 1.036 717 E CA -0.384 56.078 56.400 0.104 0.000 0.876 717 E CB 0.764 30.495 29.700 0.052 0.000 1.009 717 E HN 0.345 nan 8.360 nan 0.000 0.416 718 K N 0.096 120.316 120.400 -0.300 0.000 2.518 718 K HA 0.104 4.426 4.320 0.004 0.000 0.276 718 K C 0.948 177.384 176.600 -0.274 0.000 0.974 718 K CA 0.930 56.795 56.287 -0.703 0.000 0.986 718 K CB 0.114 32.233 32.500 -0.634 0.000 0.901 718 K HN 0.836 nan 8.250 nan 0.000 0.497 719 G N 1.085 109.758 108.800 -0.211 0.000 2.143 719 G HA2 -0.264 3.698 3.960 0.004 0.000 0.249 719 G HA3 -0.264 3.698 3.960 0.004 0.000 0.249 719 G C 0.107 175.011 174.900 0.006 0.000 0.981 719 G CA 0.484 45.544 45.100 -0.065 0.000 0.665 719 G HN 0.776 nan 8.290 nan 0.000 0.528 720 T N -3.146 111.442 114.554 0.057 0.000 2.932 720 T HA 0.758 5.110 4.350 0.004 0.000 0.289 720 T C -0.953 173.819 174.700 0.121 0.000 1.039 720 T CA -1.114 61.038 62.100 0.087 0.000 1.024 720 T CB 3.091 72.017 68.868 0.097 0.000 1.090 720 T HN -0.120 nan 8.240 nan 0.000 0.496 721 P HA -0.142 nan 4.420 nan 0.000 0.215 721 P C 1.083 178.445 177.300 0.102 0.000 1.157 721 P CA 1.346 64.497 63.100 0.086 0.000 0.874 721 P CB 0.124 31.862 31.700 0.063 0.000 0.790 722 E N -1.253 119.013 120.200 0.110 0.000 2.085 722 E HA -0.205 4.147 4.350 0.004 0.000 0.194 722 E C 2.154 178.834 176.600 0.133 0.000 0.994 722 E CA 1.081 57.548 56.400 0.111 0.000 0.801 722 E CB -1.290 28.479 29.700 0.114 0.000 0.743 722 E HN 0.342 nan 8.360 nan 0.000 0.453 723 Y N 1.626 121.962 120.300 0.061 0.000 2.145 723 Y HA -0.214 4.339 4.550 0.004 0.000 0.286 723 Y C 1.981 177.916 175.900 0.058 0.000 1.145 723 Y CA 1.554 59.692 58.100 0.064 0.000 1.148 723 Y CB 0.197 38.691 38.460 0.057 0.000 0.981 723 Y HN -0.039 nan 8.280 nan 0.000 0.507 724 E N 0.308 120.637 120.200 0.214 0.000 2.118 724 E HA -0.273 4.080 4.350 0.004 0.000 0.195 724 E C 2.034 178.666 176.600 0.053 0.000 0.992 724 E CA 1.503 57.981 56.400 0.131 0.000 0.804 724 E CB -0.386 29.383 29.700 0.114 0.000 0.741 724 E HN 0.695 nan 8.360 nan 0.000 0.458 725 E N 0.277 120.505 120.200 0.046 0.000 2.106 725 E HA -0.127 4.225 4.350 0.004 0.000 0.192 725 E C 2.097 178.703 176.600 0.009 0.000 0.984 725 E CA 0.622 57.040 56.400 0.030 0.000 0.806 725 E CB -0.010 29.714 29.700 0.041 0.000 0.750 725 E HN 0.191 nan 8.360 nan 0.000 0.458 726 M N 0.291 119.869 119.600 -0.037 0.000 2.149 726 M HA -0.195 4.287 4.480 0.004 0.000 0.261 726 M C 2.162 178.436 176.300 -0.043 0.000 1.064 726 M CA 1.371 56.634 55.300 -0.061 0.000 1.102 726 M CB -0.196 32.277 32.600 -0.212 0.000 1.369 726 M HN 0.241 nan 8.290 nan 0.000 0.408 727 I N -0.206 120.326 120.570 -0.063 0.000 2.233 727 I HA -0.254 3.918 4.170 0.004 0.000 0.243 727 I C 1.846 177.975 176.117 0.019 0.000 1.093 727 I CA 1.002 62.288 61.300 -0.022 0.000 1.380 727 I CB -0.506 37.497 38.000 0.005 0.000 1.067 727 I HN 0.316 nan 8.210 nan 0.000 0.413 728 N N 0.280 118.995 118.700 0.025 0.000 2.405 728 N HA -0.028 4.714 4.740 0.004 0.000 0.175 728 N C 0.403 175.930 175.510 0.028 0.000 1.051 728 N CA 0.642 53.709 53.050 0.028 0.000 0.899 728 N CB 0.041 38.543 38.487 0.025 0.000 1.000 728 N HN 0.215 nan 8.380 nan 0.000 0.451 729 N N 0.503 119.217 118.700 0.025 0.000 2.732 729 N HA -0.018 4.725 4.740 0.004 0.000 0.235 729 N C 0.626 176.104 175.510 -0.053 0.000 1.466 729 N CA -0.162 52.873 53.050 -0.025 0.000 0.751 729 N CB -0.126 38.346 38.487 -0.025 0.000 1.317 729 N HN 0.212 nan 8.380 nan 0.000 0.525 730 H N 0.043 119.065 119.070 -0.079 0.000 2.456 730 H HA 0.062 4.620 4.556 0.004 0.000 0.296 730 H C 0.416 175.681 175.328 -0.105 0.000 1.079 730 H CA 1.123 57.129 56.048 -0.070 0.000 1.322 730 H CB 0.386 30.106 29.762 -0.070 0.000 1.388 730 H HN 0.436 nan 8.280 nan 0.000 0.538 731 E N 0.721 120.373 120.200 -0.913 0.000 2.107 731 E HA -0.119 4.233 4.350 0.004 0.000 0.191 731 E C 2.222 178.667 176.600 -0.258 0.000 0.982 731 E CA 0.828 56.667 56.400 -0.934 0.000 0.809 731 E CB 0.136 29.055 29.700 -1.302 0.000 0.756 731 E HN 0.251 nan 8.360 nan 0.000 0.459 732 K N 1.407 121.717 120.400 -0.150 0.000 2.057 732 K HA -0.085 4.237 4.320 0.004 0.000 0.207 732 K C 1.861 178.500 176.600 0.065 0.000 1.049 732 K CA 1.330 57.626 56.287 0.016 0.000 0.931 732 K CB -0.362 32.162 32.500 0.039 0.000 0.714 732 K HN 0.082 nan 8.250 nan 0.000 0.440 733 A N -0.403 122.449 122.820 0.054 0.000 1.940 733 A HA -0.195 4.127 4.320 0.004 0.000 0.219 733 A C 2.231 179.888 177.584 0.122 0.000 1.176 733 A CA 1.706 53.793 52.037 0.084 0.000 0.631 733 A CB -0.975 18.074 19.000 0.082 0.000 0.814 733 A HN 0.543 nan 8.150 nan 0.000 0.446 734 Y N 0.195 120.529 120.300 0.057 0.000 2.163 734 Y HA -0.092 4.461 4.550 0.004 0.000 0.288 734 Y C 1.997 177.952 175.900 0.091 0.000 1.136 734 Y CA 1.852 60.018 58.100 0.109 0.000 1.147 734 Y CB -0.177 38.462 38.460 0.299 0.000 0.987 734 Y HN 0.208 nan 8.280 nan 0.000 0.509 735 L N -0.280 121.133 121.223 0.316 0.000 2.201 735 L HA -0.175 4.168 4.340 0.004 0.000 0.212 735 L C 2.391 179.303 176.870 0.070 0.000 1.105 735 L CA 1.153 56.119 54.840 0.209 0.000 0.775 735 L CB -0.407 41.804 42.059 0.254 0.000 0.913 735 L HN 0.136 nan 8.230 nan 0.000 0.440 736 R N -0.929 119.602 120.500 0.051 0.000 2.148 736 R HA -0.067 4.275 4.340 0.004 0.000 0.223 736 R C 2.151 178.435 176.300 -0.027 0.000 1.088 736 R CA 1.425 57.536 56.100 0.018 0.000 0.985 736 R CB -0.279 30.044 30.300 0.038 0.000 0.880 736 R HN 0.306 nan 8.270 nan 0.000 0.451 737 T N 1.513 116.017 114.554 -0.084 0.000 2.851 737 T HA 0.044 4.396 4.350 0.004 0.000 0.262 737 T C 1.227 175.798 174.700 -0.214 0.000 1.043 737 T CA 0.743 62.751 62.100 -0.154 0.000 1.140 737 T CB -0.069 68.638 68.868 -0.268 0.000 0.872 737 T HN 0.230 nan 8.240 nan 0.000 0.446 738 I N -0.002 120.406 120.570 -0.271 0.000 3.244 738 I HA 0.378 4.550 4.170 0.004 0.000 0.314 738 I C 0.013 176.041 176.117 -0.148 0.000 1.043 738 I CA -1.094 60.050 61.300 -0.260 0.000 1.099 738 I CB 0.033 37.828 38.000 -0.342 0.000 1.449 738 I HN -0.183 nan 8.210 nan 0.000 0.625 739 T N 2.341 116.802 114.554 -0.156 0.000 2.777 739 T HA -0.070 4.283 4.350 0.004 0.000 0.273 739 T C 0.371 175.020 174.700 -0.085 0.000 1.016 739 T CA 0.269 62.287 62.100 -0.136 0.000 1.156 739 T CB -0.175 68.588 68.868 -0.174 0.000 1.019 739 T HN 0.669 nan 8.240 nan 0.000 0.503 740 S N 1.209 116.838 115.700 -0.117 0.000 2.589 740 S HA 0.100 4.572 4.470 0.004 0.000 0.265 740 S C 1.688 176.143 174.600 -0.241 0.000 1.342 740 S CA -0.636 57.471 58.200 -0.155 0.000 1.005 740 S CB 0.601 63.697 63.200 -0.173 0.000 0.909 740 S HN 0.838 nan 8.310 nan 0.000 0.555 741 K N 1.027 121.154 120.400 -0.456 0.000 2.032 741 K HA -0.164 4.158 4.320 0.004 0.000 0.209 741 K C 1.990 178.290 176.600 -0.501 0.000 1.048 741 K CA 1.791 57.613 56.287 -0.774 0.000 0.927 741 K CB -0.395 31.420 32.500 -1.143 0.000 0.712 741 K HN 0.552 nan 8.250 nan 0.000 0.441 742 L N 1.662 122.483 121.223 -0.670 0.000 1.994 742 L HA -0.064 4.278 4.340 0.004 0.000 0.208 742 L C -1.302 175.305 176.870 -0.437 0.000 1.071 742 L CA 1.689 55.980 54.840 -0.915 0.000 0.745 742 L CB -1.094 40.147 42.059 -1.364 0.000 0.892 742 L HN 0.149 nan 8.230 nan 0.000 0.431 743 P HA -0.105 nan 4.420 nan 0.000 0.220 743 P C 1.527 178.747 177.300 -0.135 0.000 1.148 743 P CA 1.585 64.581 63.100 -0.174 0.000 0.803 743 P CB -0.299 31.306 31.700 -0.159 0.000 0.782 744 T N 0.806 115.272 114.554 -0.148 0.000 2.684 744 T HA -0.103 4.250 4.350 0.004 0.000 0.267 744 T C 1.914 176.573 174.700 -0.068 0.000 1.036 744 T CA 1.180 63.230 62.100 -0.084 0.000 1.148 744 T CB -0.857 68.039 68.868 0.045 0.000 0.863 744 T HN 0.079 nan 8.240 nan 0.000 0.436 745 L N 0.386 121.542 121.223 -0.112 0.000 2.042 745 L HA -0.099 4.243 4.340 0.004 0.000 0.210 745 L C 2.458 179.423 176.870 0.160 0.000 1.076 745 L CA 0.803 55.602 54.840 -0.067 0.000 0.749 745 L CB -0.626 41.180 42.059 -0.421 0.000 0.893 745 L HN 0.235 nan 8.230 nan 0.000 0.432 746 I N 0.050 120.697 120.570 0.129 0.000 2.142 746 I HA -0.252 3.920 4.170 0.004 0.000 0.240 746 I C 2.908 179.161 176.117 0.226 0.000 1.078 746 I CA 1.974 63.433 61.300 0.264 0.000 1.343 746 I CB -1.381 36.714 38.000 0.158 0.000 1.046 746 I HN 0.359 nan 8.210 nan 0.000 0.405 747 S N 1.164 116.941 115.700 0.128 0.000 2.368 747 S HA -0.128 4.344 4.470 0.004 0.000 0.225 747 S C 2.153 176.853 174.600 0.166 0.000 1.030 747 S CA 0.917 59.192 58.200 0.125 0.000 0.999 747 S CB -1.026 62.183 63.200 0.016 0.000 0.844 747 S HN 0.421 nan 8.310 nan 0.000 0.459 748 L N 1.460 122.769 121.223 0.143 0.000 2.042 748 L HA -0.107 4.235 4.340 0.004 0.000 0.210 748 L C 2.984 180.116 176.870 0.437 0.000 1.076 748 L CA 1.489 56.462 54.840 0.221 0.000 0.749 748 L CB -0.873 41.174 42.059 -0.020 0.000 0.893 748 L HN 0.366 nan 8.230 nan 0.000 0.432 749 S N -0.536 115.461 115.700 0.496 0.000 2.356 749 S HA -0.151 4.322 4.470 0.004 0.000 0.223 749 S C 2.054 176.795 174.600 0.235 0.000 1.032 749 S CA 1.240 59.698 58.200 0.430 0.000 1.005 749 S CB -0.284 63.223 63.200 0.510 0.000 0.867 749 S HN 0.156 nan 8.310 nan 0.000 0.449 750 V N 3.345 123.392 119.914 0.222 0.000 2.255 750 V HA -0.213 3.910 4.120 0.004 0.000 0.247 750 V C 2.251 178.437 176.094 0.153 0.000 1.051 750 V CA 2.046 64.441 62.300 0.159 0.000 1.018 750 V CB -0.887 31.030 31.823 0.156 0.000 0.641 750 V HN 0.670 nan 8.190 nan 0.000 0.445 751 I N -1.593 119.099 120.570 0.203 0.000 2.493 751 I HA -0.161 4.011 4.170 0.004 0.000 0.254 751 I C 2.288 178.535 176.117 0.216 0.000 1.160 751 I CA 1.891 63.315 61.300 0.206 0.000 1.445 751 I CB -0.556 37.579 38.000 0.224 0.000 1.086 751 I HN 0.382 nan 8.210 nan 0.000 0.433 752 E N 1.974 122.292 120.200 0.197 0.000 2.051 752 E HA -0.194 4.158 4.350 0.004 0.000 0.192 752 E C 2.290 178.862 176.600 -0.047 0.000 0.991 752 E CA 1.671 58.028 56.400 -0.071 0.000 0.799 752 E CB -0.089 29.434 29.700 -0.295 0.000 0.748 752 E HN 0.648 nan 8.360 nan 0.000 0.449 753 I N 1.041 121.607 120.570 -0.007 0.000 2.163 753 I HA -0.318 3.854 4.170 0.004 0.000 0.243 753 I C 2.363 178.501 176.117 0.035 0.000 1.085 753 I CA 1.068 62.369 61.300 0.001 0.000 1.347 753 I CB -0.247 37.764 38.000 0.018 0.000 1.044 753 I HN 0.198 nan 8.210 nan 0.000 0.408 754 L N -0.275 120.977 121.223 0.048 0.000 2.275 754 L HA -0.103 4.239 4.340 0.004 0.000 0.215 754 L C 2.140 178.976 176.870 -0.056 0.000 1.119 754 L CA 0.756 55.610 54.840 0.023 0.000 0.790 754 L CB -0.467 41.606 42.059 0.023 0.000 0.919 754 L HN 0.146 nan 8.230 nan 0.000 0.443 755 S N -1.466 114.241 115.700 0.012 0.000 2.593 755 S HA 0.034 4.506 4.470 0.004 0.000 0.217 755 S C 0.782 175.487 174.600 0.175 0.000 0.966 755 S CA 0.105 58.350 58.200 0.074 0.000 0.914 755 S CB 0.003 63.293 63.200 0.150 0.000 0.776 755 S HN 0.297 nan 8.310 nan 0.000 0.523 756 T N 2.779 117.404 114.554 0.118 0.000 2.799 756 T HA 0.243 4.596 4.350 0.004 0.000 0.286 756 T C -0.416 174.366 174.700 0.137 0.000 0.973 756 T CA -0.377 61.777 62.100 0.090 0.000 1.035 756 T CB 0.479 69.374 68.868 0.046 0.000 0.932 756 T HN 0.208 nan 8.240 nan 0.000 0.469 757 H N 1.792 120.974 119.070 0.186 0.000 2.668 757 H HA 0.440 4.998 4.556 0.004 0.000 0.303 757 H C 0.542 175.920 175.328 0.084 0.000 1.074 757 H CA -0.539 55.578 56.048 0.116 0.000 1.406 757 H CB 0.574 30.373 29.762 0.062 0.000 1.442 757 H HN 0.793 nan 8.280 nan 0.000 0.482 758 A N 2.616 125.551 122.820 0.191 0.000 2.483 758 A HA 0.035 4.357 4.320 0.004 0.000 0.238 758 A C 1.534 179.184 177.584 0.110 0.000 1.070 758 A CA 0.304 52.401 52.037 0.100 0.000 0.770 758 A CB 0.172 19.206 19.000 0.056 0.000 1.008 758 A HN 0.847 nan 8.150 nan 0.000 0.497 759 S N 0.125 115.876 115.700 0.085 0.000 2.481 759 S HA -0.104 4.368 4.470 0.004 0.000 0.231 759 S C 0.672 175.326 174.600 0.091 0.000 0.996 759 S CA 1.137 59.391 58.200 0.090 0.000 0.942 759 S CB -0.279 62.962 63.200 0.069 0.000 0.768 759 S HN 0.807 nan 8.310 nan 0.000 0.520 760 D N 0.234 120.691 120.400 0.094 0.000 2.388 760 D HA 0.215 4.857 4.640 0.004 0.000 0.221 760 D C 0.256 176.586 176.300 0.051 0.000 1.133 760 D CA -0.422 53.633 54.000 0.091 0.000 0.831 760 D CB -0.372 40.508 40.800 0.133 0.000 0.962 760 D HN 0.336 nan 8.370 nan 0.000 0.502 761 E N 0.255 120.452 120.200 -0.004 0.000 2.437 761 E HA 0.156 4.508 4.350 0.004 0.000 0.263 761 E C -0.829 175.640 176.600 -0.219 0.000 1.030 761 E CA -0.202 56.090 56.400 -0.181 0.000 0.934 761 E CB 0.958 30.389 29.700 -0.449 0.000 0.943 761 E HN -0.032 nan 8.360 nan 0.000 0.444 762 V N 5.688 125.450 119.914 -0.254 0.000 2.357 762 V HA 0.272 4.394 4.120 0.004 0.000 0.284 762 V C -0.701 175.255 176.094 -0.231 0.000 1.018 762 V CA -0.646 61.566 62.300 -0.147 0.000 0.841 762 V CB 0.235 32.008 31.823 -0.084 0.000 0.991 762 V HN 0.588 nan 8.190 nan 0.000 0.437 763 Y N 2.921 123.187 120.300 -0.056 0.000 2.374 763 Y HA 0.513 5.065 4.550 0.004 0.000 0.322 763 Y C 0.341 176.218 175.900 -0.038 0.000 1.275 763 Y CA -0.913 57.146 58.100 -0.068 0.000 1.307 763 Y CB 0.995 39.377 38.460 -0.129 0.000 1.282 763 Y HN 0.478 nan 8.280 nan 0.000 0.509 764 L N 2.013 123.334 121.223 0.163 0.000 2.578 764 L HA 0.212 4.554 4.340 0.004 0.000 0.279 764 L C 1.066 177.876 176.870 -0.101 0.000 1.227 764 L CA 1.616 56.524 54.840 0.112 0.000 0.900 764 L CB -0.337 41.798 42.059 0.127 0.000 1.144 764 L HN 0.884 nan 8.230 nan 0.000 0.496 765 G N 2.550 111.250 108.800 -0.167 0.000 2.176 765 G HA2 -0.228 3.735 3.960 0.004 0.000 0.253 765 G HA3 -0.228 3.735 3.960 0.004 0.000 0.253 765 G C 0.220 175.001 174.900 -0.198 0.000 0.979 765 G CA 0.326 45.095 45.100 -0.551 0.000 0.641 765 G HN 0.646 nan 8.290 nan 0.000 0.530 766 Q N -0.584 119.303 119.800 0.144 0.000 2.399 766 Q HA 0.788 5.130 4.340 0.004 0.000 0.276 766 Q C 0.012 176.106 176.000 0.157 0.000 1.098 766 Q CA -0.920 54.998 55.803 0.192 0.000 0.827 766 Q CB 1.925 30.718 28.738 0.093 0.000 1.386 766 Q HN 0.312 nan 8.270 nan 0.000 0.443 767 R N 0.500 121.027 120.500 0.046 0.000 2.867 767 R HA 0.150 4.492 4.340 0.004 0.000 0.268 767 R C -0.230 176.035 176.300 -0.058 0.000 1.014 767 R CA -0.519 55.476 56.100 -0.174 0.000 0.946 767 R CB 1.132 31.134 30.300 -0.496 0.000 1.208 767 R HN 0.779 nan 8.270 nan 0.000 0.477 768 D N -0.735 119.626 120.400 -0.065 0.000 2.347 768 D HA -0.080 4.562 4.640 0.004 0.000 0.215 768 D C -0.000 176.329 176.300 0.049 0.000 0.976 768 D CA 0.771 54.776 54.000 0.008 0.000 0.884 768 D CB 0.243 41.057 40.800 0.023 0.000 0.915 768 D HN 0.225 nan 8.370 nan 0.000 0.526 769 N N -0.431 118.311 118.700 0.069 0.000 2.369 769 N HA 0.138 4.880 4.740 0.004 0.000 0.287 769 N C -2.412 173.192 175.510 0.156 0.000 1.067 769 N CA -1.338 51.778 53.050 0.109 0.000 0.888 769 N CB 2.433 41.009 38.487 0.149 0.000 1.616 769 N HN -0.265 nan 8.380 nan 0.000 0.482 770 P HA 0.017 nan 4.420 nan 0.000 0.234 770 P C -0.005 177.156 177.300 -0.232 0.000 1.167 770 P CA 0.960 64.003 63.100 -0.094 0.000 0.763 770 P CB 0.171 31.675 31.700 -0.326 0.000 0.835 771 H N -1.134 117.989 119.070 0.088 0.000 2.475 771 H HA 0.095 4.653 4.556 0.004 0.000 0.276 771 H C 1.447 176.737 175.328 -0.063 0.000 1.126 771 H CA -0.493 55.522 56.048 -0.056 0.000 1.023 771 H CB -0.504 29.235 29.762 -0.040 0.000 1.669 771 H HN 0.386 nan 8.280 nan 0.000 0.573 772 W N 0.668 121.991 121.300 0.038 0.000 2.392 772 W HA -0.013 4.649 4.660 0.003 0.000 0.279 772 W C -0.148 176.381 176.519 0.017 0.000 1.225 772 W CA 0.719 58.074 57.345 0.015 0.000 1.233 772 W CB -0.459 28.977 29.460 -0.039 0.000 1.122 772 W HN 0.051 nan 8.180 nan 0.000 0.561 773 T N 0.198 114.395 114.554 -0.596 0.000 2.896 773 T HA 0.295 4.647 4.350 0.004 0.000 0.297 773 T C 0.868 175.338 174.700 -0.383 0.000 1.108 773 T CA 0.118 61.938 62.100 -0.467 0.000 1.004 773 T CB 1.759 70.291 68.868 -0.561 0.000 1.159 773 T HN -0.004 nan 8.240 nan 0.000 0.499 774 S N 1.415 116.972 115.700 -0.239 0.000 2.593 774 S HA 0.152 4.625 4.470 0.004 0.000 0.217 774 S C 0.085 174.618 174.600 -0.112 0.000 0.966 774 S CA -0.164 57.947 58.200 -0.147 0.000 0.914 774 S CB -0.124 63.036 63.200 -0.066 0.000 0.776 774 S HN 0.674 nan 8.310 nan 0.000 0.523 775 D N 3.323 123.635 120.400 -0.147 0.000 2.344 775 D HA 0.201 4.843 4.640 0.004 0.000 0.253 775 D C 1.288 177.531 176.300 -0.096 0.000 1.255 775 D CA 0.204 54.145 54.000 -0.099 0.000 0.894 775 D CB 1.457 42.228 40.800 -0.048 0.000 1.067 775 D HN 0.424 nan 8.370 nan 0.000 0.492 776 S N 2.938 118.600 115.700 -0.063 0.000 2.400 776 S HA -0.220 4.252 4.470 0.004 0.000 0.232 776 S C 1.511 176.114 174.600 0.006 0.000 1.025 776 S CA 0.810 58.992 58.200 -0.030 0.000 0.993 776 S CB 0.024 63.212 63.200 -0.019 0.000 0.808 776 S HN 0.364 nan 8.310 nan 0.000 0.478 777 K N 1.507 121.899 120.400 -0.013 0.000 2.057 777 K HA 0.093 4.415 4.320 0.004 0.000 0.206 777 K C 2.599 179.264 176.600 0.108 0.000 1.050 777 K CA 1.140 57.435 56.287 0.014 0.000 0.935 777 K CB -0.533 31.930 32.500 -0.063 0.000 0.715 777 K HN 0.508 nan 8.250 nan 0.000 0.439 778 A N 1.571 124.461 122.820 0.116 0.000 1.898 778 A HA -0.116 4.206 4.320 0.004 0.000 0.216 778 A C 2.138 180.009 177.584 0.477 0.000 1.181 778 A CA 1.160 53.416 52.037 0.366 0.000 0.620 778 A CB -0.633 18.586 19.000 0.364 0.000 0.819 778 A HN 0.141 nan 8.150 nan 0.000 0.442 779 L N -0.893 120.446 121.223 0.193 0.000 2.046 779 L HA -0.279 4.063 4.340 0.004 0.000 0.208 779 L C 2.880 179.932 176.870 0.303 0.000 1.077 779 L CA 1.713 56.690 54.840 0.228 0.000 0.747 779 L CB -0.673 41.397 42.059 0.018 0.000 0.896 779 L HN 0.478 nan 8.230 nan 0.000 0.432 780 Q N -0.187 119.744 119.800 0.218 0.000 2.046 780 Q HA -0.164 4.178 4.340 0.004 0.000 0.200 780 Q C 2.495 178.642 176.000 0.246 0.000 0.975 780 Q CA 1.604 57.517 55.803 0.183 0.000 0.836 780 Q CB -0.328 28.482 28.738 0.120 0.000 0.896 780 Q HN 0.547 nan 8.270 nan 0.000 0.428 781 A N 0.420 123.454 122.820 0.357 0.000 1.940 781 A HA -0.207 4.115 4.320 0.004 0.000 0.219 781 A C 1.872 179.753 177.584 0.496 0.000 1.176 781 A CA 1.250 53.574 52.037 0.479 0.000 0.631 781 A CB -0.735 18.652 19.000 0.646 0.000 0.814 781 A HN 0.454 nan 8.150 nan 0.000 0.446 782 F N 0.323 120.469 119.950 0.326 0.000 2.186 782 F HA -0.104 4.426 4.527 0.004 0.000 0.299 782 F C 2.345 178.135 175.800 -0.017 0.000 1.090 782 F CA 1.957 59.898 58.000 -0.098 0.000 1.307 782 F CB -0.310 38.735 39.000 0.075 0.000 1.019 782 F HN 0.307 nan 8.300 nan 0.000 0.489 783 Q N 0.995 120.816 119.800 0.035 0.000 2.084 783 Q HA -0.183 4.159 4.340 0.004 0.000 0.202 783 Q C 2.086 178.017 176.000 -0.116 0.000 0.978 783 Q CA 1.931 57.686 55.803 -0.080 0.000 0.844 783 Q CB -0.270 28.489 28.738 0.035 0.000 0.898 783 Q HN 0.371 nan 8.270 nan 0.000 0.426 784 K N -0.815 119.581 120.400 -0.006 0.000 2.097 784 K HA -0.146 4.176 4.320 0.004 0.000 0.206 784 K C 1.932 178.531 176.600 -0.001 0.000 1.049 784 K CA 1.240 57.539 56.287 0.020 0.000 0.933 784 K CB -0.375 32.188 32.500 0.103 0.000 0.717 784 K HN 0.221 nan 8.250 nan 0.000 0.442 785 F N 1.599 121.412 119.950 -0.230 0.000 2.102 785 F HA -0.104 4.425 4.527 0.003 0.000 0.298 785 F C 2.108 177.674 175.800 -0.391 0.000 1.105 785 F CA 1.750 59.557 58.000 -0.322 0.000 1.239 785 F CB -0.953 37.699 39.000 -0.580 0.000 0.991 785 F HN -0.010 nan 8.300 nan 0.000 0.474 786 G N 0.380 108.746 108.800 -0.722 0.000 2.440 786 G HA2 -0.322 3.640 3.960 0.004 0.000 0.218 786 G HA3 -0.322 3.640 3.960 0.004 0.000 0.218 786 G C 1.578 176.237 174.900 -0.400 0.000 1.154 786 G CA 0.974 45.665 45.100 -0.680 0.000 0.767 786 G HN 0.371 nan 8.290 nan 0.000 0.552 787 N N 0.711 119.253 118.700 -0.263 0.000 2.120 787 N HA -0.090 4.652 4.740 0.004 0.000 0.188 787 N C 2.039 177.460 175.510 -0.149 0.000 1.024 787 N CA 1.346 54.295 53.050 -0.168 0.000 0.852 787 N CB -0.282 38.144 38.487 -0.102 0.000 1.003 787 N HN 0.252 nan 8.380 nan 0.000 0.424 788 K N 1.404 121.724 120.400 -0.133 0.000 2.057 788 K HA 0.043 4.365 4.320 0.004 0.000 0.207 788 K C 1.965 178.489 176.600 -0.128 0.000 1.049 788 K CA 0.830 57.069 56.287 -0.080 0.000 0.931 788 K CB -0.460 32.047 32.500 0.011 0.000 0.714 788 K HN 0.135 nan 8.250 nan 0.000 0.440 789 L N 0.345 121.418 121.223 -0.250 0.000 2.083 789 L HA -0.171 4.171 4.340 0.004 0.000 0.209 789 L C 2.294 179.042 176.870 -0.204 0.000 1.083 789 L CA 1.473 56.160 54.840 -0.255 0.000 0.752 789 L CB -0.345 41.458 42.059 -0.427 0.000 0.899 789 L HN 0.150 nan 8.230 nan 0.000 0.433 790 K N -0.147 120.129 120.400 -0.207 0.000 2.057 790 K HA -0.232 4.090 4.320 0.004 0.000 0.207 790 K C 2.075 178.589 176.600 -0.142 0.000 1.049 790 K CA 1.447 57.630 56.287 -0.174 0.000 0.931 790 K CB -0.136 32.269 32.500 -0.160 0.000 0.714 790 K HN 0.295 nan 8.250 nan 0.000 0.440 791 E N 1.160 121.291 120.200 -0.115 0.000 2.085 791 E HA -0.212 4.140 4.350 0.004 0.000 0.194 791 E C 1.973 178.524 176.600 -0.083 0.000 0.994 791 E CA 1.157 57.507 56.400 -0.084 0.000 0.801 791 E CB -0.030 29.636 29.700 -0.057 0.000 0.743 791 E HN 0.252 nan 8.360 nan 0.000 0.453 792 I N 0.965 121.486 120.570 -0.081 0.000 2.226 792 I HA -0.257 3.916 4.170 0.004 0.000 0.245 792 I C 2.640 178.683 176.117 -0.123 0.000 1.100 792 I CA 1.322 62.584 61.300 -0.064 0.000 1.374 792 I CB -0.283 37.699 38.000 -0.031 0.000 1.057 792 I HN 0.229 nan 8.210 nan 0.000 0.413 793 E N 1.000 121.086 120.200 -0.190 0.000 2.085 793 E HA -0.281 4.071 4.350 0.004 0.000 0.194 793 E C 2.021 178.412 176.600 -0.348 0.000 0.994 793 E CA 1.555 57.749 56.400 -0.342 0.000 0.801 793 E CB 0.044 29.534 29.700 -0.350 0.000 0.743 793 E HN 0.490 nan 8.360 nan 0.000 0.453 794 E N 0.309 120.381 120.200 -0.213 0.000 2.085 794 E HA -0.229 4.123 4.350 0.004 0.000 0.194 794 E C 2.094 178.624 176.600 -0.117 0.000 0.994 794 E CA 1.071 57.378 56.400 -0.155 0.000 0.801 794 E CB -0.074 29.565 29.700 -0.102 0.000 0.743 794 E HN 0.136 nan 8.360 nan 0.000 0.453 795 K N 0.982 121.327 120.400 -0.092 0.000 2.057 795 K HA -0.129 4.193 4.320 0.004 0.000 0.206 795 K C 2.092 178.675 176.600 -0.029 0.000 1.050 795 K CA 0.893 57.155 56.287 -0.042 0.000 0.935 795 K CB 0.015 32.505 32.500 -0.017 0.000 0.715 795 K HN 0.098 nan 8.250 nan 0.000 0.439 796 L N 0.572 121.752 121.223 -0.072 0.000 2.156 796 L HA -0.128 4.214 4.340 0.004 0.000 0.208 796 L C 2.357 179.257 176.870 0.051 0.000 1.095 796 L CA 0.503 55.352 54.840 0.014 0.000 0.770 796 L CB -0.376 41.693 42.059 0.016 0.000 0.914 796 L HN 0.012 nan 8.230 nan 0.000 0.439 797 V N 0.176 120.013 119.914 -0.128 0.000 2.287 797 V HA -0.290 3.832 4.120 0.004 0.000 0.248 797 V C 2.664 178.793 176.094 0.059 0.000 1.053 797 V CA 1.782 64.086 62.300 0.007 0.000 1.027 797 V CB -0.633 31.135 31.823 -0.092 0.000 0.646 797 V HN 0.432 nan 8.190 nan 0.000 0.447 798 R N -0.388 120.124 120.500 0.019 0.000 2.105 798 R HA -0.143 4.199 4.340 0.004 0.000 0.239 798 R C 2.537 178.872 176.300 0.059 0.000 1.135 798 R CA 1.459 57.578 56.100 0.033 0.000 0.967 798 R CB -0.355 29.954 30.300 0.014 0.000 0.861 798 R HN 0.501 nan 8.270 nan 0.000 0.442 799 R N 0.278 120.824 120.500 0.076 0.000 2.073 799 R HA -0.051 4.291 4.340 0.004 0.000 0.234 799 R C 1.926 178.297 176.300 0.118 0.000 1.134 799 R CA 1.242 57.399 56.100 0.095 0.000 0.952 799 R CB -0.254 30.114 30.300 0.114 0.000 0.850 799 R HN 0.226 nan 8.270 nan 0.000 0.433 800 N N 0.646 119.440 118.700 0.158 0.000 2.309 800 N HA -0.097 4.645 4.740 0.004 0.000 0.182 800 N C 0.954 176.537 175.510 0.120 0.000 1.018 800 N CA 0.938 54.086 53.050 0.163 0.000 0.876 800 N CB -0.208 38.410 38.487 0.217 0.000 0.972 800 N HN 0.205 nan 8.380 nan 0.000 0.434 801 N N 0.881 119.641 118.700 0.100 0.000 2.461 801 N HA -0.068 4.675 4.740 0.004 0.000 0.188 801 N C -0.286 175.261 175.510 0.060 0.000 1.134 801 N CA 0.257 53.352 53.050 0.075 0.000 0.878 801 N CB -0.031 38.493 38.487 0.062 0.000 0.972 801 N HN 0.201 nan 8.380 nan 0.000 0.456 802 D N 1.173 121.611 120.400 0.062 0.000 2.336 802 D HA 0.120 4.762 4.640 0.004 0.000 0.249 802 D C -1.690 174.639 176.300 0.049 0.000 1.213 802 D CA -2.059 51.971 54.000 0.050 0.000 0.870 802 D CB 1.584 42.413 40.800 0.049 0.000 1.076 802 D HN 0.012 nan 8.370 nan 0.000 0.483 803 P HA -0.059 nan 4.420 nan 0.000 0.222 803 P C 1.132 178.454 177.300 0.036 0.000 1.147 803 P CA 0.602 63.725 63.100 0.039 0.000 0.790 803 P CB 0.314 32.033 31.700 0.032 0.000 0.780 804 S N -0.880 114.840 115.700 0.033 0.000 2.507 804 S HA 0.042 4.514 4.470 0.004 0.000 0.235 804 S C 1.304 175.923 174.600 0.031 0.000 0.988 804 S CA 0.747 58.964 58.200 0.029 0.000 0.944 804 S CB -0.642 62.573 63.200 0.026 0.000 0.762 804 S HN 0.186 nan 8.310 nan 0.000 0.526 805 L N 0.765 122.012 121.223 0.040 0.000 2.857 805 L HA 0.255 4.597 4.340 0.004 0.000 0.249 805 L C 2.092 178.993 176.870 0.052 0.000 1.172 805 L CA -0.069 54.797 54.840 0.044 0.000 0.980 805 L CB -0.122 41.970 42.059 0.055 0.000 1.299 805 L HN 0.156 nan 8.230 nan 0.000 0.535 806 Q N 1.537 121.367 119.800 0.051 0.000 2.084 806 Q HA -0.144 4.198 4.340 0.004 0.000 0.202 806 Q C 1.957 177.990 176.000 0.055 0.000 0.978 806 Q CA 2.066 57.904 55.803 0.058 0.000 0.844 806 Q CB -0.028 28.740 28.738 0.050 0.000 0.898 806 Q HN 0.512 nan 8.270 nan 0.000 0.426 807 G N 0.806 109.630 108.800 0.039 0.000 2.442 807 G HA2 -0.261 3.701 3.960 0.004 0.000 0.219 807 G HA3 -0.261 3.701 3.960 0.004 0.000 0.219 807 G C 1.298 176.216 174.900 0.030 0.000 1.141 807 G CA 0.973 46.092 45.100 0.032 0.000 0.763 807 G HN 0.369 nan 8.290 nan 0.000 0.554 808 N N -0.345 118.368 118.700 0.022 0.000 2.415 808 N HA 0.088 4.830 4.740 0.004 0.000 0.174 808 N C 2.182 177.718 175.510 0.043 0.000 1.048 808 N CA 0.156 53.211 53.050 0.008 0.000 0.895 808 N CB -0.025 38.443 38.487 -0.032 0.000 1.036 808 N HN 0.276 nan 8.380 nan 0.000 0.449 809 R N -0.331 120.215 120.500 0.078 0.000 2.210 809 R HA 0.216 4.558 4.340 0.004 0.000 0.203 809 R C 0.818 177.232 176.300 0.190 0.000 1.010 809 R CA 0.599 56.783 56.100 0.139 0.000 1.008 809 R CB 0.303 30.692 30.300 0.148 0.000 0.923 809 R HN 0.080 nan 8.270 nan 0.000 0.469 810 L N -1.546 119.764 121.223 0.144 0.000 2.641 810 L HA 0.319 4.661 4.340 0.004 0.000 0.207 810 L C 0.975 177.924 176.870 0.131 0.000 1.049 810 L CA 0.931 55.858 54.840 0.144 0.000 0.866 810 L CB 0.040 42.164 42.059 0.109 0.000 1.264 810 L HN 0.284 nan 8.230 nan 0.000 0.483 811 G N 0.544 109.405 108.800 0.102 0.000 2.804 811 G HA2 -0.228 3.734 3.960 0.004 0.000 0.230 811 G HA3 -0.228 3.734 3.960 0.004 0.000 0.230 811 G C -2.000 172.947 174.900 0.079 0.000 1.386 811 G CA -0.085 45.069 45.100 0.089 0.000 0.875 811 G HN 0.130 nan 8.290 nan 0.000 0.557 812 P HA -0.001 nan 4.420 nan 0.000 0.229 812 P C 1.932 179.269 177.300 0.061 0.000 1.160 812 P CA 1.904 65.037 63.100 0.055 0.000 0.777 812 P CB -0.250 31.476 31.700 0.043 0.000 0.814 813 V N -4.079 115.886 119.914 0.086 0.000 3.141 813 V HA -0.022 4.100 4.120 0.004 0.000 0.265 813 V C 0.770 176.898 176.094 0.057 0.000 1.126 813 V CA 0.564 62.913 62.300 0.080 0.000 1.141 813 V CB -1.424 30.468 31.823 0.115 0.000 0.743 813 V HN 0.013 nan 8.190 nan 0.000 0.492 814 Q N -0.464 119.377 119.800 0.067 0.000 2.463 814 Q HA -0.200 4.142 4.340 0.004 0.000 0.299 814 Q C -0.406 175.629 176.000 0.058 0.000 1.353 814 Q CA 0.958 56.798 55.803 0.060 0.000 0.828 814 Q CB -1.688 27.076 28.738 0.043 0.000 1.157 814 Q HN 0.686 nan 8.270 nan 0.000 0.436 815 L N 0.692 121.962 121.223 0.079 0.000 2.337 815 L HA 0.477 4.819 4.340 0.004 0.000 0.269 815 L C -2.416 174.556 176.870 0.169 0.000 1.018 815 L CA -1.774 53.101 54.840 0.058 0.000 0.876 815 L CB 1.329 43.355 42.059 -0.055 0.000 1.236 815 L HN -0.188 nan 8.230 nan 0.000 0.436 816 P HA -0.033 nan 4.420 nan 0.000 0.264 816 P C -1.354 176.100 177.300 0.257 0.000 1.193 816 P CA 0.252 63.465 63.100 0.188 0.000 0.763 816 P CB 0.060 31.832 31.700 0.120 0.000 0.810 817 Y N 3.533 123.918 120.300 0.142 0.000 2.680 817 Y HA 0.119 4.672 4.550 0.004 0.000 0.356 817 Y C 1.100 176.912 175.900 -0.147 0.000 1.122 817 Y CA 0.591 58.744 58.100 0.088 0.000 1.509 817 Y CB -0.213 38.325 38.460 0.130 0.000 1.245 817 Y HN 0.352 nan 8.280 nan 0.000 0.513 818 T N 1.603 115.682 114.554 -0.791 0.000 3.085 818 T HA 0.126 4.479 4.350 0.004 0.000 0.264 818 T C 1.404 175.515 174.700 -0.981 0.000 1.019 818 T CA -0.092 61.335 62.100 -1.121 0.000 0.910 818 T CB -0.227 67.944 68.868 -1.163 0.000 1.059 818 T HN 0.650 nan 8.240 nan 0.000 0.542 819 L N 0.211 120.691 121.223 -1.239 0.000 2.275 819 L HA 0.231 4.573 4.340 0.004 0.000 0.215 819 L C 1.695 178.364 176.870 -0.336 0.000 1.119 819 L CA 1.092 55.435 54.840 -0.829 0.000 0.790 819 L CB -0.175 41.384 42.059 -0.834 0.000 0.919 819 L HN 0.347 nan 8.230 nan 0.000 0.443 820 L N -1.469 119.623 121.223 -0.218 0.000 2.769 820 L HA 0.138 4.480 4.340 0.004 0.000 0.240 820 L C -0.241 176.724 176.870 0.159 0.000 1.163 820 L CA -0.594 54.279 54.840 0.055 0.000 0.962 820 L CB 0.086 42.255 42.059 0.183 0.000 1.258 820 L HN 0.007 nan 8.230 nan 0.000 0.513 821 Y N 1.205 121.433 120.300 -0.120 0.000 2.632 821 Y HA 0.033 4.585 4.550 0.003 0.000 0.329 821 Y C -1.233 174.599 175.900 -0.114 0.000 1.174 821 Y CA -2.424 55.613 58.100 -0.106 0.000 1.469 821 Y CB -0.011 38.371 38.460 -0.129 0.000 1.242 821 Y HN -0.026 nan 8.280 nan 0.000 0.540 822 P HA -0.098 nan 4.420 nan 0.000 0.217 822 P C 0.078 177.284 177.300 -0.157 0.000 1.150 822 P CA 1.366 64.432 63.100 -0.057 0.000 0.832 822 P CB 0.234 31.862 31.700 -0.120 0.000 0.787 823 S N -1.993 113.571 115.700 -0.226 0.000 2.687 823 S HA 0.664 5.136 4.470 0.004 0.000 0.283 823 S C -0.133 174.189 174.600 -0.464 0.000 1.170 823 S CA -0.464 57.469 58.200 -0.446 0.000 1.008 823 S CB 1.498 64.498 63.200 -0.333 0.000 1.026 823 S HN -0.018 nan 8.310 nan 0.000 0.541 824 S N 0.064 115.317 115.700 -0.745 0.000 2.552 824 S HA 0.375 4.847 4.470 0.004 0.000 0.272 824 S C -1.409 172.954 174.600 -0.396 0.000 1.150 824 S CA -0.702 57.213 58.200 -0.475 0.000 0.849 824 S CB 1.172 64.101 63.200 -0.453 0.000 1.113 824 S HN 0.767 nan 8.310 nan 0.000 0.458 825 E N 1.928 122.037 120.200 -0.152 0.000 2.405 825 E HA 0.205 4.557 4.350 0.004 0.000 0.253 825 E C 0.388 177.012 176.600 0.040 0.000 1.257 825 E CA -0.421 55.949 56.400 -0.050 0.000 0.960 825 E CB 0.292 29.986 29.700 -0.010 0.000 1.077 825 E HN 0.809 nan 8.360 nan 0.000 0.512 826 E N -0.472 119.778 120.200 0.082 0.000 2.409 826 E HA 0.369 4.721 4.350 0.004 0.000 0.257 826 E C 0.534 177.219 176.600 0.141 0.000 1.150 826 E CA -0.130 56.354 56.400 0.140 0.000 0.942 826 E CB 0.440 30.202 29.700 0.103 0.000 0.979 826 E HN 0.599 nan 8.360 nan 0.000 0.447 827 G N 0.744 109.642 108.800 0.163 0.000 2.500 827 G HA2 -0.196 3.766 3.960 0.004 0.000 0.209 827 G HA3 -0.196 3.766 3.960 0.004 0.000 0.209 827 G C -0.909 174.066 174.900 0.126 0.000 1.283 827 G CA -0.362 44.805 45.100 0.112 0.000 0.960 827 G HN 0.677 nan 8.290 nan 0.000 0.528 828 L N 2.193 123.477 121.223 0.102 0.000 2.449 828 L HA 0.489 4.831 4.340 0.004 0.000 0.255 828 L C 1.928 178.929 176.870 0.218 0.000 1.167 828 L CA 0.490 55.406 54.840 0.127 0.000 1.090 828 L CB 0.094 42.193 42.059 0.067 0.000 1.385 828 L HN 0.972 nan 8.230 nan 0.000 0.411 829 T N -0.918 113.754 114.554 0.196 0.000 3.022 829 T HA 0.029 4.381 4.350 0.004 0.000 0.250 829 T C 0.886 175.676 174.700 0.151 0.000 1.060 829 T CA -0.206 62.014 62.100 0.199 0.000 1.013 829 T CB -0.093 68.876 68.868 0.169 0.000 0.982 829 T HN 0.401 nan 8.240 nan 0.000 0.508 830 F N 2.534 122.406 119.950 -0.129 0.000 3.057 830 F HA -0.254 4.275 4.527 0.003 0.000 0.287 830 F C 0.164 175.831 175.800 -0.221 0.000 0.834 830 F CA 0.881 58.715 58.000 -0.278 0.000 1.147 830 F CB -1.298 37.277 39.000 -0.709 0.000 1.245 830 F HN 0.717 nan 8.300 nan 0.000 0.509 831 R N -0.246 120.183 120.500 -0.118 0.000 2.733 831 R HA 0.722 5.064 4.340 0.004 0.000 0.272 831 R C 0.014 176.291 176.300 -0.039 0.000 1.029 831 R CA -0.838 55.148 56.100 -0.189 0.000 0.888 831 R CB 1.356 31.529 30.300 -0.212 0.000 1.251 831 R HN 1.297 nan 8.270 nan 0.000 0.464 832 G N 0.969 109.720 108.800 -0.081 0.000 3.055 832 G HA2 0.008 3.970 3.960 0.004 0.000 0.686 832 G HA3 0.008 3.970 3.960 0.004 0.000 0.686 832 G C -0.898 174.008 174.900 0.010 0.000 1.087 832 G CA -0.625 44.393 45.100 -0.137 0.000 0.779 832 G HN 0.543 nan 8.290 nan 0.000 0.599 833 I N 4.122 124.768 120.570 0.127 0.000 2.371 833 I HA 0.267 4.439 4.170 0.004 0.000 0.282 833 I C -2.033 174.225 176.117 0.237 0.000 1.031 833 I CA -2.202 59.203 61.300 0.176 0.000 1.180 833 I CB 1.985 40.066 38.000 0.135 0.000 1.336 833 I HN 0.189 nan 8.210 nan 0.000 0.467 834 P HA 0.125 nan 4.420 nan 0.000 0.272 834 P C 0.341 177.701 177.300 0.100 0.000 1.240 834 P CA -0.262 62.814 63.100 -0.040 0.000 0.791 834 P CB 0.658 32.375 31.700 0.029 0.000 0.978 835 N N -0.756 117.969 118.700 0.042 0.000 2.289 835 N HA -0.062 4.681 4.740 0.004 0.000 0.184 835 N C 0.639 176.283 175.510 0.224 0.000 1.016 835 N CA 1.091 54.223 53.050 0.135 0.000 0.872 835 N CB -0.154 38.249 38.487 -0.141 0.000 0.973 835 N HN 0.527 nan 8.380 nan 0.000 0.433 836 S N -1.102 114.673 115.700 0.125 0.000 2.697 836 S HA 0.536 5.009 4.470 0.004 0.000 0.289 836 S C -0.355 174.254 174.600 0.014 0.000 1.149 836 S CA -0.879 57.384 58.200 0.106 0.000 0.850 836 S CB 1.323 64.568 63.200 0.075 0.000 1.151 836 S HN -0.001 nan 8.310 nan 0.000 0.491 837 I N 3.003 123.479 120.570 -0.156 0.000 2.293 837 I HA 0.173 4.346 4.170 0.004 0.000 0.299 837 I C 1.047 177.009 176.117 -0.257 0.000 1.153 837 I CA -0.145 60.806 61.300 -0.582 0.000 1.302 837 I CB 0.428 37.978 38.000 -0.749 0.000 1.460 837 I HN 0.830 nan 8.210 nan 0.000 0.552 838 S N 4.977 120.642 115.700 -0.057 0.000 2.559 838 S HA 0.374 4.846 4.470 0.004 0.000 0.226 838 S C 0.122 174.828 174.600 0.177 0.000 1.000 838 S CA -0.244 58.013 58.200 0.094 0.000 0.948 838 S CB 0.388 63.665 63.200 0.129 0.000 0.870 838 S HN 0.450 nan 8.310 nan 0.000 0.497 839 I N 0.000 120.706 120.570 0.227 0.000 2.984 839 I HA 0.000 4.172 4.170 0.004 0.000 0.288 839 I CA 0.000 61.470 61.300 0.283 0.000 1.566 839 I CB 0.000 38.151 38.000 0.252 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494