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 1fgo_1_A DATA FIRST_RESID 6 DATA SEQUENCE HKIKGTVVLM PKNEXXXXXX XXXXXXLNAF LGRSVSLQLI SATKADAHGK DATA SEQUENCE GKVGKDTFLE GINTSLPTLG AGESAFNIHF EWDGSMGIPG AFYIKNYMQV DATA SEQUENCE EFFLKSLTLE AXXXXXTIRF VCNSWVYNTK LYKSVRIFFA NHTYVPSETP DATA SEQUENCE APLVSYREEE 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 VIVNDSCYHA LMSHWLNTHA DATA SEQUENCE AMEPFVIATH RHLSVLHPIY KLLTPHYRNN MNINALARQS LINANGIIET 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 0.000 175.411 175.328 0.138 0.000 0.993 6 H CA 0.000 56.102 56.048 0.091 0.000 1.023 6 H CB 0.000 29.811 29.762 0.082 0.000 1.292 7 K N 1.866 122.359 120.400 0.155 0.000 2.267 7 K HA 0.764 5.085 4.320 0.003 0.000 0.246 7 K C -0.562 176.183 176.600 0.241 0.000 0.954 7 K CA -0.927 55.490 56.287 0.218 0.000 0.824 7 K CB 3.009 35.630 32.500 0.202 0.000 1.167 7 K HN 0.506 nan 8.250 nan 0.000 0.431 8 I N 2.346 123.083 120.570 0.278 0.000 2.312 8 I HA 0.163 4.334 4.170 0.003 0.000 0.290 8 I C 0.061 176.267 176.117 0.148 0.000 1.008 8 I CA -0.667 60.758 61.300 0.207 0.000 1.226 8 I CB 1.213 39.312 38.000 0.164 0.000 1.371 8 I HN 0.432 nan 8.210 nan 0.000 0.468 9 K N 5.453 125.881 120.400 0.046 0.000 2.379 9 K HA 0.450 4.771 4.320 0.003 0.000 0.284 9 K C -0.086 176.431 176.600 -0.139 0.000 1.044 9 K CA -0.084 56.086 56.287 -0.195 0.000 0.974 9 K CB 0.797 33.247 32.500 -0.083 0.000 0.962 9 K HN 0.835 nan 8.250 nan 0.000 0.474 10 G N 1.681 110.348 108.800 -0.221 0.000 2.574 10 G HA2 0.485 4.447 3.960 0.003 0.000 0.299 10 G HA3 0.485 4.447 3.960 0.003 0.000 0.299 10 G C -1.378 173.439 174.900 -0.140 0.000 1.298 10 G CA -0.548 44.498 45.100 -0.090 0.000 0.952 10 G HN 0.494 nan 8.290 nan 0.000 0.477 11 T N 0.490 114.981 114.554 -0.105 0.000 2.890 11 T HA 0.474 4.826 4.350 0.003 0.000 0.295 11 T C -0.557 174.084 174.700 -0.098 0.000 0.993 11 T CA -0.302 61.741 62.100 -0.095 0.000 0.979 11 T CB 1.623 70.443 68.868 -0.079 0.000 0.967 11 T HN 0.377 nan 8.240 nan 0.000 0.441 12 V N 4.024 123.893 119.914 -0.075 0.000 2.394 12 V HA 0.520 4.642 4.120 0.003 0.000 0.282 12 V C -0.095 175.984 176.094 -0.025 0.000 1.031 12 V CA -0.643 61.603 62.300 -0.090 0.000 0.881 12 V CB 1.699 33.450 31.823 -0.121 0.000 0.982 12 V HN 0.687 nan 8.190 nan 0.000 0.451 13 V N 6.749 126.622 119.914 -0.069 0.000 2.459 13 V HA 0.682 4.803 4.120 0.003 0.000 0.295 13 V C -0.381 175.657 176.094 -0.094 0.000 1.029 13 V CA -0.428 61.835 62.300 -0.061 0.000 0.874 13 V CB 1.494 33.282 31.823 -0.060 0.000 0.985 13 V HN 0.800 nan 8.190 nan 0.000 0.438 14 L N 2.704 123.874 121.223 -0.089 0.000 2.491 14 L HA 0.808 5.149 4.340 0.003 0.000 0.254 14 L C -0.887 175.937 176.870 -0.077 0.000 1.048 14 L CA -0.851 53.908 54.840 -0.134 0.000 0.855 14 L CB 2.261 44.117 42.059 -0.338 0.000 1.466 14 L HN 0.492 nan 8.230 nan 0.000 0.409 15 M N 1.493 121.097 119.600 0.007 0.000 2.197 15 M HA 0.530 5.012 4.480 0.003 0.000 0.301 15 M C -2.565 173.824 176.300 0.148 0.000 0.987 15 M CA -1.339 54.001 55.300 0.067 0.000 0.921 15 M CB 2.442 35.111 32.600 0.116 0.000 1.569 15 M HN 0.431 nan 8.290 nan 0.000 0.431 16 P HA 0.044 nan 4.420 nan 0.000 0.269 16 P C 0.209 177.731 177.300 0.370 0.000 1.209 16 P CA -0.005 63.316 63.100 0.368 0.000 0.776 16 P CB 0.697 32.616 31.700 0.365 0.000 0.876 17 K N 3.707 124.386 120.400 0.464 0.000 2.059 17 K HA -0.257 4.065 4.320 0.003 0.000 0.212 17 K C 1.231 178.017 176.600 0.311 0.000 1.050 17 K CA 1.952 58.525 56.287 0.478 0.000 0.927 17 K CB -0.396 32.300 32.500 0.326 0.000 0.714 17 K HN 0.512 nan 8.250 nan 0.000 0.447 18 N N 1.115 119.952 118.700 0.229 0.000 2.617 18 N HA -0.109 4.633 4.740 0.003 0.000 0.198 18 N C -0.849 174.752 175.510 0.151 0.000 1.317 18 N CA 0.695 53.842 53.050 0.162 0.000 0.892 18 N CB -0.286 38.282 38.487 0.135 0.000 1.041 18 N HN 0.217 nan 8.380 nan 0.000 0.450 33 N N 1.636 120.498 118.700 0.271 0.000 2.364 33 N HA -0.105 4.636 4.740 0.003 0.000 0.183 33 N C 1.604 177.203 175.510 0.149 0.000 1.022 33 N CA 1.438 54.609 53.050 0.201 0.000 0.883 33 N CB 0.127 38.681 38.487 0.112 0.000 0.965 33 N HN 0.410 nan 8.380 nan 0.000 0.438 34 A N 0.193 123.067 122.820 0.090 0.000 2.121 34 A HA -0.022 4.299 4.320 0.003 0.000 0.218 34 A C 1.522 179.007 177.584 -0.165 0.000 1.154 34 A CA 0.610 52.604 52.037 -0.072 0.000 0.679 34 A CB -0.610 18.286 19.000 -0.173 0.000 0.795 34 A HN 0.156 nan 8.150 nan 0.000 0.458 35 F N -0.114 119.818 119.950 -0.030 0.000 2.780 35 F HA 0.202 4.731 4.527 0.003 0.000 0.299 35 F C 1.165 176.867 175.800 -0.163 0.000 1.146 35 F CA 0.141 58.023 58.000 -0.197 0.000 1.428 35 F CB -0.253 38.412 39.000 -0.559 0.000 1.115 35 F HN 0.088 nan 8.300 nan 0.000 0.583 36 L N -1.410 119.878 121.223 0.108 0.000 2.859 36 L HA 0.523 4.864 4.340 0.003 0.000 0.181 36 L C 1.695 178.591 176.870 0.043 0.000 1.196 36 L CA -0.030 54.864 54.840 0.090 0.000 1.062 36 L CB -0.838 41.290 42.059 0.116 0.000 1.961 36 L HN 0.255 nan 8.230 nan 0.000 0.507 37 G N -0.059 108.747 108.800 0.010 0.000 2.574 37 G HA2 -0.339 3.623 3.960 0.003 0.000 0.286 37 G HA3 -0.339 3.623 3.960 0.003 0.000 0.286 37 G C 0.330 175.134 174.900 -0.160 0.000 1.212 37 G CA 0.433 45.488 45.100 -0.075 0.000 0.979 37 G HN 0.636 nan 8.290 nan 0.000 0.557 38 R N 0.446 120.780 120.500 -0.278 0.000 2.694 38 R HA 0.446 4.788 4.340 0.003 0.000 0.334 38 R C 1.937 178.279 176.300 0.070 0.000 1.143 38 R CA 0.483 56.246 56.100 -0.562 0.000 1.073 38 R CB 0.333 30.130 30.300 -0.839 0.000 1.366 38 R HN 0.288 nan 8.270 nan 0.000 0.577 39 S N 0.097 115.918 115.700 0.203 0.000 2.395 39 S HA 0.020 4.492 4.470 0.003 0.000 0.225 39 S C 0.826 175.702 174.600 0.461 0.000 1.027 39 S CA 0.582 58.951 58.200 0.280 0.000 0.965 39 S CB 0.426 63.681 63.200 0.092 0.000 0.812 39 S HN 0.038 nan 8.310 nan 0.000 0.482 40 V N 2.116 122.302 119.914 0.454 0.000 2.577 40 V HA 0.549 4.670 4.120 0.003 0.000 0.303 40 V C -0.633 175.562 176.094 0.169 0.000 1.042 40 V CA -0.853 61.639 62.300 0.320 0.000 0.872 40 V CB 1.825 33.732 31.823 0.139 0.000 0.998 40 V HN 0.308 nan 8.190 nan 0.000 0.423 41 S N 5.192 120.887 115.700 -0.007 0.000 2.500 41 S HA 0.918 5.390 4.470 0.003 0.000 0.301 41 S C -1.137 173.393 174.600 -0.117 0.000 1.092 41 S CA -0.723 57.238 58.200 -0.399 0.000 1.030 41 S CB 1.908 64.696 63.200 -0.687 0.000 1.031 41 S HN 0.395 nan 8.310 nan 0.000 0.483 42 L N 1.888 123.059 121.223 -0.087 0.000 2.354 42 L HA 0.591 4.933 4.340 0.003 0.000 0.269 42 L C -0.264 176.730 176.870 0.206 0.000 1.005 42 L CA -0.264 54.642 54.840 0.111 0.000 0.819 42 L CB 2.097 44.207 42.059 0.084 0.000 1.311 42 L HN 0.793 nan 8.230 nan 0.000 0.423 43 Q N 2.787 122.721 119.800 0.223 0.000 2.290 43 Q HA 0.540 4.882 4.340 0.003 0.000 0.269 43 Q C -1.288 174.738 176.000 0.044 0.000 1.016 43 Q CA -0.512 55.413 55.803 0.204 0.000 0.754 43 Q CB 2.303 31.199 28.738 0.263 0.000 1.247 43 Q HN 0.471 nan 8.270 nan 0.000 0.451 44 L N 3.276 124.395 121.223 -0.173 0.000 2.439 44 L HA 0.368 4.710 4.340 0.003 0.000 0.269 44 L C -0.127 176.621 176.870 -0.202 0.000 1.179 44 L CA 0.039 54.587 54.840 -0.488 0.000 0.828 44 L CB 0.376 41.757 42.059 -1.131 0.000 1.106 44 L HN 0.503 nan 8.230 nan 0.000 0.467 45 I N 1.310 121.728 120.570 -0.253 0.000 2.436 45 I HA 0.164 4.336 4.170 0.003 0.000 0.289 45 I C 0.099 176.244 176.117 0.046 0.000 1.010 45 I CA -0.268 60.985 61.300 -0.078 0.000 1.098 45 I CB 2.044 39.802 38.000 -0.403 0.000 1.266 45 I HN 0.514 nan 8.210 nan 0.000 0.434 46 S N 3.825 119.730 115.700 0.341 0.000 2.549 46 S HA 0.414 4.885 4.470 0.003 0.000 0.279 46 S C 0.896 175.634 174.600 0.229 0.000 1.321 46 S CA -0.068 58.362 58.200 0.383 0.000 1.054 46 S CB 1.183 64.654 63.200 0.452 0.000 0.899 46 S HN 0.741 nan 8.310 nan 0.000 0.497 47 A N 3.385 126.316 122.820 0.185 0.000 2.267 47 A HA 0.205 4.527 4.320 0.003 0.000 0.213 47 A C 1.710 179.354 177.584 0.100 0.000 1.192 47 A CA 0.772 52.891 52.037 0.137 0.000 0.851 47 A CB -0.278 18.795 19.000 0.123 0.000 0.881 47 A HN 0.934 nan 8.150 nan 0.000 0.494 48 T N -4.401 110.226 114.554 0.122 0.000 2.989 48 T HA 0.240 4.591 4.350 0.003 0.000 0.250 48 T C 0.452 175.198 174.700 0.076 0.000 0.981 48 T CA -0.105 62.044 62.100 0.081 0.000 0.980 48 T CB 0.167 69.082 68.868 0.078 0.000 1.133 48 T HN 0.012 nan 8.240 nan 0.000 0.489 49 K N 2.426 122.888 120.400 0.103 0.000 2.240 49 K HA 0.813 5.134 4.320 0.003 0.000 0.271 49 K C -0.690 175.959 176.600 0.080 0.000 1.018 49 K CA -0.290 56.036 56.287 0.067 0.000 0.874 49 K CB 1.542 34.063 32.500 0.035 0.000 1.098 49 K HN 0.455 nan 8.250 nan 0.000 0.458 50 A N 2.831 125.682 122.820 0.053 0.000 2.340 50 A HA 0.474 4.796 4.320 0.003 0.000 0.331 50 A C -0.140 177.464 177.584 0.034 0.000 1.140 50 A CA -0.757 51.314 52.037 0.057 0.000 0.801 50 A CB 0.600 19.623 19.000 0.038 0.000 1.234 50 A HN 0.743 nan 8.150 nan 0.000 0.469 51 D N 1.085 121.513 120.400 0.047 0.000 2.289 51 D HA 0.335 4.977 4.640 0.003 0.000 0.266 51 D C 1.037 177.316 176.300 -0.034 0.000 1.243 51 D CA 0.224 54.236 54.000 0.019 0.000 1.019 51 D CB 0.169 41.003 40.800 0.058 0.000 1.126 51 D HN 0.486 nan 8.370 nan 0.000 0.541 52 A N -1.601 121.150 122.820 -0.115 0.000 2.255 52 A HA -0.066 4.256 4.320 0.003 0.000 0.206 52 A C 0.749 178.103 177.584 -0.383 0.000 1.193 52 A CA 0.527 52.419 52.037 -0.243 0.000 0.794 52 A CB -0.727 18.085 19.000 -0.314 0.000 0.794 52 A HN 0.550 nan 8.150 nan 0.000 0.481 53 H N -2.136 116.928 119.070 -0.011 0.000 3.233 53 H HA 0.253 4.810 4.556 0.003 0.000 0.263 53 H C 1.528 176.831 175.328 -0.041 0.000 1.168 53 H CA 0.426 56.459 56.048 -0.025 0.000 1.159 53 H CB 0.577 30.322 29.762 -0.029 0.000 1.593 53 H HN 0.574 nan 8.280 nan 0.000 0.580 54 G N 1.645 110.476 108.800 0.052 0.000 2.176 54 G HA2 -0.272 3.690 3.960 0.003 0.000 0.253 54 G HA3 -0.272 3.690 3.960 0.003 0.000 0.253 54 G C 0.190 175.084 174.900 -0.010 0.000 0.979 54 G CA -0.013 45.096 45.100 0.016 0.000 0.641 54 G HN 0.280 nan 8.290 nan 0.000 0.530 55 K N 0.972 121.363 120.400 -0.015 0.000 2.201 55 K HA 0.513 4.834 4.320 0.003 0.000 0.278 55 K C 1.073 177.727 176.600 0.090 0.000 1.027 55 K CA -0.150 56.069 56.287 -0.114 0.000 0.909 55 K CB 1.333 33.697 32.500 -0.227 0.000 1.062 55 K HN 0.338 nan 8.250 nan 0.000 0.465 56 G N 3.194 112.149 108.800 0.258 0.000 2.187 56 G HA2 -0.142 3.820 3.960 0.003 0.000 0.239 56 G HA3 -0.142 3.820 3.960 0.003 0.000 0.239 56 G C -0.260 174.837 174.900 0.329 0.000 1.200 56 G CA -0.141 45.164 45.100 0.341 0.000 0.888 56 G HN 0.521 nan 8.290 nan 0.000 0.482 57 K N 0.456 120.995 120.400 0.231 0.000 2.414 57 K HA 0.234 4.556 4.320 0.003 0.000 0.272 57 K C -0.010 176.755 176.600 0.276 0.000 0.993 57 K CA -0.156 56.248 56.287 0.195 0.000 0.964 57 K CB 1.064 33.608 32.500 0.074 0.000 0.925 57 K HN 0.205 nan 8.250 nan 0.000 0.487 58 V N 2.325 122.391 119.914 0.254 0.000 2.459 58 V HA 0.282 4.404 4.120 0.003 0.000 0.295 58 V C 0.828 177.095 176.094 0.288 0.000 1.029 58 V CA -0.808 61.671 62.300 0.299 0.000 0.874 58 V CB 1.493 33.503 31.823 0.313 0.000 0.985 58 V HN 0.979 nan 8.190 nan 0.000 0.438 59 G N 3.682 112.737 108.800 0.425 0.000 2.570 59 G HA2 0.302 4.264 3.960 0.003 0.000 0.276 59 G HA3 0.302 4.264 3.960 0.003 0.000 0.276 59 G C -0.149 174.909 174.900 0.263 0.000 1.346 59 G CA -0.567 44.764 45.100 0.386 0.000 1.034 59 G HN 0.661 nan 8.290 nan 0.000 0.512 60 K N -0.113 120.431 120.400 0.240 0.000 2.090 60 K HA 0.191 4.512 4.320 0.003 0.000 0.250 60 K C -0.517 176.180 176.600 0.162 0.000 1.004 60 K CA -0.489 55.905 56.287 0.178 0.000 0.919 60 K CB 0.714 33.306 32.500 0.154 0.000 1.045 60 K HN 0.351 nan 8.250 nan 0.000 0.471 61 D N 1.748 122.208 120.400 0.100 0.000 2.417 61 D HA 0.030 4.672 4.640 0.003 0.000 0.250 61 D C -0.567 175.671 176.300 -0.104 0.000 1.166 61 D CA 0.663 54.643 54.000 -0.033 0.000 0.881 61 D CB 0.867 41.629 40.800 -0.062 0.000 1.164 61 D HN 0.327 nan 8.370 nan 0.000 0.467 62 T N 2.957 117.382 114.554 -0.215 0.000 2.840 62 T HA 0.353 4.705 4.350 0.003 0.000 0.287 62 T C -0.060 174.411 174.700 -0.382 0.000 0.991 62 T CA -0.579 61.392 62.100 -0.214 0.000 0.964 62 T CB 0.452 69.146 68.868 -0.291 0.000 0.954 62 T HN 0.053 nan 8.240 nan 0.000 0.438 63 F N 1.490 121.413 119.950 -0.046 0.000 2.380 63 F HA 0.503 5.032 4.527 0.003 0.000 0.321 63 F C 0.800 176.548 175.800 -0.087 0.000 1.103 63 F CA -1.467 56.515 58.000 -0.030 0.000 1.067 63 F CB 0.529 39.532 39.000 0.005 0.000 1.265 63 F HN 0.260 nan 8.300 nan 0.000 0.517 64 L N 1.702 122.984 121.223 0.098 0.000 2.490 64 L HA 0.060 4.401 4.340 0.003 0.000 0.274 64 L C 0.865 177.785 176.870 0.083 0.000 1.201 64 L CA 0.309 55.157 54.840 0.014 0.000 0.869 64 L CB 0.333 42.337 42.059 -0.092 0.000 1.123 64 L HN 0.766 nan 8.230 nan 0.000 0.484 65 E N 1.805 122.051 120.200 0.076 0.000 2.307 65 E HA 0.237 4.588 4.350 0.003 0.000 0.195 65 E C 0.750 177.414 176.600 0.108 0.000 0.975 65 E CA 0.262 56.714 56.400 0.088 0.000 0.878 65 E CB 0.643 30.395 29.700 0.087 0.000 0.845 65 E HN 0.837 nan 8.360 nan 0.000 0.488 66 G N 0.544 109.435 108.800 0.152 0.000 2.356 66 G HA2 0.381 4.343 3.960 0.003 0.000 0.294 66 G HA3 0.381 4.343 3.960 0.003 0.000 0.294 66 G C -1.759 173.220 174.900 0.132 0.000 1.423 66 G CA -1.053 44.135 45.100 0.147 0.000 0.806 66 G HN -0.061 nan 8.290 nan 0.000 0.527 67 I N 1.644 122.217 120.570 0.004 0.000 2.395 67 I HA 0.289 4.461 4.170 0.003 0.000 0.289 67 I C 0.254 176.253 176.117 -0.197 0.000 1.023 67 I CA -0.868 60.276 61.300 -0.259 0.000 1.350 67 I CB 1.453 39.294 38.000 -0.265 0.000 1.409 67 I HN 0.388 nan 8.210 nan 0.000 0.507 68 N N 3.965 122.509 118.700 -0.260 0.000 2.426 68 N HA 0.158 4.900 4.740 0.003 0.000 0.257 68 N C -0.199 175.209 175.510 -0.170 0.000 1.002 68 N CA 0.057 53.010 53.050 -0.161 0.000 0.942 68 N CB 1.138 39.543 38.487 -0.136 0.000 1.112 68 N HN 0.607 nan 8.380 nan 0.000 0.499 69 T N 1.506 115.991 114.554 -0.115 0.000 3.355 69 T HA 0.277 4.628 4.350 0.003 0.000 0.276 69 T C 0.425 175.085 174.700 -0.066 0.000 1.003 69 T CA -0.267 61.774 62.100 -0.098 0.000 0.943 69 T CB -0.076 68.742 68.868 -0.084 0.000 1.158 69 T HN 0.416 nan 8.240 nan 0.000 0.513 70 S N 1.062 116.725 115.700 -0.062 0.000 2.338 70 S HA 0.298 4.770 4.470 0.003 0.000 0.197 70 S C 0.473 175.051 174.600 -0.037 0.000 0.990 70 S CA -0.368 57.807 58.200 -0.042 0.000 0.920 70 S CB -0.325 62.854 63.200 -0.036 0.000 0.903 70 S HN 0.473 nan 8.310 nan 0.000 0.542 71 L N 5.009 126.210 121.223 -0.037 0.000 2.615 71 L HA 0.148 4.489 4.340 0.003 0.000 0.271 71 L C -2.143 174.710 176.870 -0.028 0.000 1.183 71 L CA -1.169 53.654 54.840 -0.028 0.000 0.933 71 L CB -0.016 42.028 42.059 -0.025 0.000 1.199 71 L HN 0.023 nan 8.230 nan 0.000 0.487 72 P HA -0.048 nan 4.420 nan 0.000 0.222 72 P C 0.133 177.426 177.300 -0.013 0.000 1.147 72 P CA 0.979 64.069 63.100 -0.016 0.000 0.790 72 P CB 0.074 31.768 31.700 -0.011 0.000 0.780 73 T N 1.762 116.311 114.554 -0.009 0.000 3.474 73 T HA 0.298 4.649 4.350 0.003 0.000 0.270 73 T C -0.095 174.601 174.700 -0.006 0.000 1.079 73 T CA 0.413 62.512 62.100 -0.001 0.000 1.110 73 T CB -0.826 68.046 68.868 0.008 0.000 1.087 73 T HN -0.137 nan 8.240 nan 0.000 0.784 74 L N 2.132 123.349 121.223 -0.011 0.000 3.007 74 L HA 0.513 4.854 4.340 0.003 0.000 0.237 74 L C -0.108 176.753 176.870 -0.016 0.000 0.965 74 L CA -0.027 54.802 54.840 -0.017 0.000 1.116 74 L CB 0.162 42.197 42.059 -0.040 0.000 1.491 74 L HN 0.472 nan 8.230 nan 0.000 0.565 75 G N 2.188 110.987 108.800 -0.003 0.000 3.247 75 G HA2 0.635 4.596 3.960 0.003 0.000 0.163 75 G HA3 0.635 4.596 3.960 0.003 0.000 0.163 75 G C 0.453 175.359 174.900 0.010 0.000 1.206 75 G CA -0.114 44.988 45.100 0.002 0.000 0.918 75 G HN 1.667 nan 8.290 nan 0.000 0.625 76 A N -1.210 121.622 122.820 0.020 0.000 2.511 76 A HA 0.274 4.596 4.320 0.003 0.000 0.297 76 A C 1.917 179.519 177.584 0.030 0.000 1.476 76 A CA 1.700 53.755 52.037 0.030 0.000 0.757 76 A CB -1.707 17.315 19.000 0.037 0.000 1.072 76 A HN 2.835 nan 8.150 nan 0.000 0.413 77 G N -1.192 107.624 108.800 0.026 0.000 2.337 77 G HA2 -0.272 3.690 3.960 0.003 0.000 0.290 77 G HA3 -0.272 3.690 3.960 0.003 0.000 0.290 77 G C -0.034 174.878 174.900 0.020 0.000 1.003 77 G CA 1.130 46.248 45.100 0.029 0.000 0.825 77 G HN 1.141 nan 8.290 nan 0.000 0.509 78 E N -0.308 119.893 120.200 0.001 0.000 2.283 78 E HA 0.639 4.990 4.350 0.003 0.000 0.271 78 E C -0.182 176.375 176.600 -0.071 0.000 1.031 78 E CA -0.366 56.022 56.400 -0.020 0.000 0.868 78 E CB 1.324 31.017 29.700 -0.012 0.000 1.094 78 E HN 0.147 nan 8.360 nan 0.000 0.401 79 S N 0.602 116.232 115.700 -0.116 0.000 2.536 79 S HA 0.630 5.102 4.470 0.003 0.000 0.287 79 S C -1.131 173.274 174.600 -0.325 0.000 1.101 79 S CA -0.775 57.276 58.200 -0.249 0.000 0.950 79 S CB 1.797 64.814 63.200 -0.306 0.000 1.056 79 S HN 0.580 nan 8.310 nan 0.000 0.481 80 A N 2.287 124.846 122.820 -0.436 0.000 2.324 80 A HA 0.890 5.212 4.320 0.003 0.000 0.330 80 A C -1.263 175.943 177.584 -0.632 0.000 1.165 80 A CA -0.428 51.396 52.037 -0.355 0.000 0.813 80 A CB 0.287 19.161 19.000 -0.210 0.000 1.197 80 A HN 0.635 nan 8.150 nan 0.000 0.484 81 F N 1.483 121.338 119.950 -0.159 0.000 2.540 81 F HA 0.368 4.897 4.527 0.003 0.000 0.317 81 F C 0.274 175.994 175.800 -0.133 0.000 1.104 81 F CA -0.770 57.146 58.000 -0.140 0.000 0.913 81 F CB 2.057 40.955 39.000 -0.170 0.000 1.170 81 F HN 0.495 nan 8.300 nan 0.000 0.450 82 N N 3.168 121.899 118.700 0.051 0.000 2.524 82 N HA 0.617 5.358 4.740 0.003 0.000 0.283 82 N C -1.064 174.414 175.510 -0.052 0.000 1.142 82 N CA -0.219 52.816 53.050 -0.025 0.000 0.984 82 N CB 2.173 40.667 38.487 0.011 0.000 1.155 82 N HN 0.722 nan 8.380 nan 0.000 0.467 83 I N 0.401 120.845 120.570 -0.210 0.000 2.785 83 I HA 0.227 4.398 4.170 0.003 0.000 0.293 83 I C -1.720 174.075 176.117 -0.536 0.000 1.446 83 I CA -0.586 60.532 61.300 -0.303 0.000 1.028 83 I CB 1.591 39.346 38.000 -0.408 0.000 1.349 83 I HN 0.509 nan 8.210 nan 0.000 0.438 84 H N 6.173 125.036 119.070 -0.344 0.000 2.547 84 H HA 0.537 5.095 4.556 0.003 0.000 0.342 84 H C -1.473 173.672 175.328 -0.306 0.000 1.048 84 H CA -0.181 55.739 56.048 -0.213 0.000 1.204 84 H CB 1.585 31.305 29.762 -0.070 0.000 1.493 84 H HN 0.275 nan 8.280 nan 0.000 0.511 85 F N 0.730 120.735 119.950 0.092 0.000 2.420 85 F HA 0.176 4.705 4.527 0.003 0.000 0.342 85 F C 0.926 176.842 175.800 0.194 0.000 1.113 85 F CA -0.774 57.292 58.000 0.109 0.000 1.059 85 F CB 1.248 40.272 39.000 0.039 0.000 1.128 85 F HN 0.520 nan 8.300 nan 0.000 0.475 86 E N 4.607 125.030 120.200 0.371 0.000 1.881 86 E HA -0.043 4.309 4.350 0.003 0.000 0.264 86 E C -1.327 175.498 176.600 0.375 0.000 1.243 86 E CA -0.031 56.537 56.400 0.281 0.000 0.965 86 E CB 0.274 30.088 29.700 0.189 0.000 1.055 86 E HN 0.591 nan 8.360 nan 0.000 0.412 87 W N 5.135 126.509 121.300 0.124 0.000 2.631 87 W HA 0.202 4.864 4.660 0.003 0.000 0.321 87 W C -1.194 175.364 176.519 0.066 0.000 1.004 87 W CA -0.885 56.512 57.345 0.087 0.000 1.291 87 W CB 1.148 30.653 29.460 0.074 0.000 1.300 87 W HN 0.459 nan 8.180 nan 0.000 0.422 88 D N 1.563 121.864 120.400 -0.165 0.000 2.283 88 D HA 0.377 5.019 4.640 0.003 0.000 0.248 88 D C 1.717 177.947 176.300 -0.117 0.000 1.072 88 D CA 0.380 54.326 54.000 -0.089 0.000 0.929 88 D CB 1.744 42.478 40.800 -0.111 0.000 1.182 88 D HN 0.463 nan 8.370 nan 0.000 0.433 89 G N 0.484 109.287 108.800 0.005 0.000 2.499 89 G HA2 -0.276 3.686 3.960 0.003 0.000 0.221 89 G HA3 -0.276 3.686 3.960 0.003 0.000 0.221 89 G C 1.387 176.270 174.900 -0.028 0.000 1.109 89 G CA 1.179 46.302 45.100 0.038 0.000 0.749 89 G HN 0.527 nan 8.290 nan 0.000 0.568 90 S N -0.122 115.521 115.700 -0.096 0.000 2.447 90 S HA 0.066 4.538 4.470 0.003 0.000 0.233 90 S C 2.000 176.489 174.600 -0.184 0.000 1.006 90 S CA 0.701 58.833 58.200 -0.113 0.000 0.957 90 S CB -0.137 62.997 63.200 -0.110 0.000 0.773 90 S HN 0.160 nan 8.310 nan 0.000 0.507 91 M N 1.823 121.196 119.600 -0.377 0.000 2.628 91 M HA 0.260 4.742 4.480 0.003 0.000 0.232 91 M C 1.500 177.731 176.300 -0.115 0.000 1.128 91 M CA 0.584 55.541 55.300 -0.572 0.000 1.040 91 M CB -1.444 30.116 32.600 -1.733 0.000 1.608 91 M HN 0.615 nan 8.290 nan 0.000 0.507 92 G N 1.464 110.292 108.800 0.047 0.000 2.593 92 G HA2 -0.248 3.713 3.960 0.003 0.000 0.237 92 G HA3 -0.248 3.713 3.960 0.003 0.000 0.237 92 G C -0.313 174.831 174.900 0.407 0.000 1.312 92 G CA -0.738 44.480 45.100 0.197 0.000 0.896 92 G HN 0.381 nan 8.290 nan 0.000 0.574 93 I N 3.099 123.850 120.570 0.302 0.000 2.377 93 I HA 0.350 4.522 4.170 0.003 0.000 0.293 93 I C -1.772 174.450 176.117 0.175 0.000 0.987 93 I CA -2.050 59.393 61.300 0.239 0.000 1.185 93 I CB 2.222 40.300 38.000 0.130 0.000 1.341 93 I HN 0.332 nan 8.210 nan 0.000 0.455 94 P HA 0.113 nan 4.420 nan 0.000 0.276 94 P C 0.242 177.553 177.300 0.019 0.000 1.230 94 P CA -0.008 62.985 63.100 -0.178 0.000 0.776 94 P CB 1.307 32.624 31.700 -0.640 0.000 0.888 95 G N 0.936 109.783 108.800 0.078 0.000 3.443 95 G HA2 0.524 4.485 3.960 0.003 0.000 0.252 95 G HA3 0.524 4.485 3.960 0.003 0.000 0.252 95 G C 0.017 175.029 174.900 0.186 0.000 1.015 95 G CA 0.386 45.566 45.100 0.133 0.000 0.891 95 G HN 0.828 nan 8.290 nan 0.000 0.510 96 A N -0.243 122.678 122.820 0.168 0.000 2.536 96 A HA 0.875 5.197 4.320 0.003 0.000 0.293 96 A C -1.767 175.753 177.584 -0.106 0.000 1.119 96 A CA -0.728 51.312 52.037 0.004 0.000 0.654 96 A CB 1.042 19.692 19.000 -0.584 0.000 1.291 96 A HN 1.236 nan 8.150 nan 0.000 0.439 97 F N -2.237 117.425 119.950 -0.479 0.000 2.703 97 F HA 0.771 5.300 4.527 0.003 0.000 0.308 97 F C -2.108 173.450 175.800 -0.402 0.000 1.126 97 F CA -1.135 56.568 58.000 -0.494 0.000 0.959 97 F CB 0.554 39.223 39.000 -0.551 0.000 1.297 97 F HN 0.533 nan 8.300 nan 0.000 0.441 98 Y N 3.189 123.481 120.300 -0.013 0.000 2.419 98 Y HA 0.756 5.308 4.550 0.003 0.000 0.328 98 Y C -0.193 175.814 175.900 0.179 0.000 1.162 98 Y CA -1.405 56.655 58.100 -0.066 0.000 1.174 98 Y CB 1.809 40.227 38.460 -0.069 0.000 1.228 98 Y HN 0.836 nan 8.280 nan 0.000 0.473 99 I N 2.188 122.942 120.570 0.307 0.000 2.656 99 I HA 0.441 4.612 4.170 0.003 0.000 0.292 99 I C -1.700 174.495 176.117 0.129 0.000 1.144 99 I CA -0.755 60.720 61.300 0.291 0.000 1.038 99 I CB 1.644 39.924 38.000 0.466 0.000 1.244 99 I HN 0.552 nan 8.210 nan 0.000 0.420 100 K N 4.745 125.170 120.400 0.041 0.000 2.426 100 K HA 0.350 4.671 4.320 0.003 0.000 0.254 100 K C -1.149 175.349 176.600 -0.170 0.000 0.936 100 K CA -0.818 55.384 56.287 -0.143 0.000 0.801 100 K CB 1.667 33.956 32.500 -0.352 0.000 1.139 100 K HN 0.437 nan 8.250 nan 0.000 0.424 101 N N 2.477 121.105 118.700 -0.119 0.000 2.457 101 N HA 0.128 4.870 4.740 0.003 0.000 0.250 101 N C -0.536 174.907 175.510 -0.112 0.000 0.982 101 N CA -0.148 52.925 53.050 0.038 0.000 0.941 101 N CB 0.488 39.007 38.487 0.053 0.000 1.120 101 N HN 0.481 nan 8.380 nan 0.000 0.505 102 Y N 1.956 122.367 120.300 0.185 0.000 2.511 102 Y HA 0.275 4.827 4.550 0.003 0.000 0.279 102 Y C 0.832 176.777 175.900 0.075 0.000 1.157 102 Y CA 0.113 58.287 58.100 0.125 0.000 1.300 102 Y CB -0.011 38.538 38.460 0.147 0.000 1.052 102 Y HN 0.407 nan 8.280 nan 0.000 0.529 103 M N 0.026 119.734 119.600 0.181 0.000 2.198 103 M HA 0.026 4.507 4.480 0.003 0.000 0.315 103 M C 1.294 177.625 176.300 0.050 0.000 1.134 103 M CA -0.109 55.240 55.300 0.082 0.000 1.171 103 M CB 0.660 33.274 32.600 0.024 0.000 1.413 103 M HN 0.036 nan 8.290 nan 0.000 0.467 104 Q N 0.587 120.398 119.800 0.018 0.000 2.083 104 Q HA 0.066 4.408 4.340 0.003 0.000 0.198 104 Q C 0.290 176.285 176.000 -0.009 0.000 0.969 104 Q CA 0.952 56.759 55.803 0.006 0.000 0.838 104 Q CB -0.313 28.426 28.738 0.002 0.000 0.900 104 Q HN 0.569 nan 8.270 nan 0.000 0.436 105 V N 3.462 123.373 119.914 -0.004 0.000 2.607 105 V HA 0.062 4.184 4.120 0.003 0.000 0.289 105 V C 0.565 176.658 176.094 -0.003 0.000 1.053 105 V CA -0.788 61.507 62.300 -0.009 0.000 0.996 105 V CB 1.373 33.214 31.823 0.030 0.000 0.995 105 V HN 0.263 nan 8.190 nan 0.000 0.476 106 E N 4.164 124.278 120.200 -0.143 0.000 2.374 106 E HA 0.317 4.668 4.350 0.003 0.000 0.260 106 E C -0.995 175.744 176.600 0.232 0.000 1.101 106 E CA -0.222 56.049 56.400 -0.215 0.000 0.907 106 E CB 1.319 30.516 29.700 -0.838 0.000 1.014 106 E HN 0.501 nan 8.360 nan 0.000 0.427 107 F N -0.764 119.393 119.950 0.345 0.000 2.620 107 F HA 0.635 5.163 4.527 0.003 0.000 0.320 107 F C -1.264 174.630 175.800 0.158 0.000 1.069 107 F CA -2.086 56.128 58.000 0.357 0.000 0.953 107 F CB 0.877 40.084 39.000 0.345 0.000 1.322 107 F HN 0.286 nan 8.300 nan 0.000 0.479 108 F N 3.511 123.388 119.950 -0.122 0.000 2.371 108 F HA 0.561 5.089 4.527 0.003 0.000 0.363 108 F C -0.773 174.957 175.800 -0.117 0.000 1.122 108 F CA -1.355 56.261 58.000 -0.640 0.000 1.129 108 F CB 1.008 39.291 39.000 -1.195 0.000 1.173 108 F HN 0.583 nan 8.300 nan 0.000 0.489 109 L N 7.868 128.808 121.223 -0.472 0.000 2.315 109 L HA 0.287 4.629 4.340 0.003 0.000 0.283 109 L C 0.774 177.234 176.870 -0.684 0.000 1.089 109 L CA 0.254 54.883 54.840 -0.351 0.000 0.833 109 L CB 0.431 42.357 42.059 -0.222 0.000 1.170 109 L HN 0.571 nan 8.230 nan 0.000 0.442 110 K N 2.423 122.577 120.400 -0.411 0.000 2.063 110 K HA 0.246 4.568 4.320 0.003 0.000 0.204 110 K C 0.367 176.850 176.600 -0.196 0.000 1.039 110 K CA 1.075 57.184 56.287 -0.298 0.000 0.957 110 K CB -0.094 32.341 32.500 -0.110 0.000 0.764 110 K HN 0.805 nan 8.250 nan 0.000 0.447 111 S N -0.677 114.937 115.700 -0.143 0.000 2.615 111 S HA 0.536 5.008 4.470 0.003 0.000 0.268 111 S C -1.728 172.817 174.600 -0.091 0.000 1.146 111 S CA -1.130 57.029 58.200 -0.069 0.000 0.818 111 S CB 1.218 64.417 63.200 -0.001 0.000 1.111 111 S HN 0.033 nan 8.310 nan 0.000 0.465 112 L N 0.784 121.977 121.223 -0.050 0.000 2.410 112 L HA 0.850 5.192 4.340 0.003 0.000 0.270 112 L C -1.175 175.692 176.870 -0.005 0.000 0.983 112 L CA 0.219 54.940 54.840 -0.198 0.000 0.822 112 L CB 2.035 43.680 42.059 -0.689 0.000 1.285 112 L HN 0.951 nan 8.230 nan 0.000 0.409 113 T N 6.120 120.644 114.554 -0.051 0.000 2.841 113 T HA 0.585 4.937 4.350 0.003 0.000 0.285 113 T C -0.631 174.050 174.700 -0.033 0.000 0.991 113 T CA -0.317 61.780 62.100 -0.005 0.000 0.966 113 T CB 1.040 69.884 68.868 -0.041 0.000 0.962 113 T HN 0.465 nan 8.240 nan 0.000 0.438 114 L N 3.195 124.418 121.223 0.000 0.000 2.287 114 L HA 0.460 4.802 4.340 0.003 0.000 0.287 114 L C 0.285 177.140 176.870 -0.025 0.000 1.022 114 L CA -1.019 53.804 54.840 -0.028 0.000 0.814 114 L CB 1.197 43.231 42.059 -0.042 0.000 1.217 114 L HN 0.461 nan 8.230 nan 0.000 0.420 115 E N 3.286 123.472 120.200 -0.024 0.000 2.259 115 E HA 0.498 4.850 4.350 0.003 0.000 0.281 115 E C 0.445 177.047 176.600 0.004 0.000 1.037 115 E CA 0.101 56.492 56.400 -0.014 0.000 0.854 115 E CB 1.563 31.256 29.700 -0.011 0.000 1.051 115 E HN 0.737 nan 8.360 nan 0.000 0.409 123 I N 2.795 123.324 120.570 -0.068 0.000 2.378 123 I HA 0.539 4.711 4.170 0.003 0.000 0.291 123 I C 0.164 176.195 176.117 -0.144 0.000 0.992 123 I CA -0.783 60.440 61.300 -0.129 0.000 1.154 123 I CB 1.679 39.638 38.000 -0.069 0.000 1.315 123 I HN 0.303 nan 8.210 nan 0.000 0.448 124 R N 5.311 125.620 120.500 -0.317 0.000 2.589 124 R HA 0.677 5.019 4.340 0.003 0.000 0.293 124 R C -1.583 174.507 176.300 -0.350 0.000 0.963 124 R CA -0.667 55.303 56.100 -0.217 0.000 0.905 124 R CB 2.004 32.137 30.300 -0.278 0.000 1.144 124 R HN 0.329 nan 8.270 nan 0.000 0.459 125 F N 1.111 121.017 119.950 -0.075 0.000 2.507 125 F HA 0.322 4.850 4.527 0.003 0.000 0.328 125 F C -0.255 175.551 175.800 0.010 0.000 1.136 125 F CA -0.945 57.062 58.000 0.011 0.000 0.930 125 F CB 1.849 40.943 39.000 0.156 0.000 1.166 125 F HN 0.061 nan 8.300 nan 0.000 0.436 126 V N 3.365 123.379 119.914 0.167 0.000 2.333 126 V HA 0.161 4.282 4.120 0.003 0.000 0.274 126 V C 0.049 176.208 176.094 0.107 0.000 1.028 126 V CA -0.222 62.151 62.300 0.123 0.000 0.851 126 V CB 0.759 32.666 31.823 0.140 0.000 1.000 126 V HN 1.101 nan 8.190 nan 0.000 0.456 127 C N 2.258 121.538 119.300 -0.033 0.000 2.519 127 C HA 0.158 4.619 4.460 0.003 0.000 0.297 127 C C 1.262 176.169 174.990 -0.138 0.000 1.414 127 C CA -0.484 58.421 59.018 -0.189 0.000 1.893 127 C CB -0.594 26.704 27.740 -0.736 0.000 2.134 127 C HN 0.918 nan 8.230 nan 0.000 0.580 128 N N 1.805 120.318 118.700 -0.312 0.000 2.678 128 N HA -0.161 4.580 4.740 0.003 0.000 0.268 128 N C -0.445 174.876 175.510 -0.315 0.000 1.010 128 N CA 1.276 54.090 53.050 -0.394 0.000 0.784 128 N CB -0.724 37.821 38.487 0.097 0.000 0.905 128 N HN 0.654 nan 8.380 nan 0.000 0.552 129 S N -0.693 114.618 115.700 -0.649 0.000 2.536 129 S HA 0.534 5.006 4.470 0.003 0.000 0.271 129 S C -0.947 173.598 174.600 -0.093 0.000 1.134 129 S CA -0.804 57.367 58.200 -0.048 0.000 0.897 129 S CB 0.777 64.177 63.200 0.334 0.000 1.094 129 S HN 0.303 nan 8.310 nan 0.000 0.473 130 W N 2.923 124.450 121.300 0.377 0.000 2.266 130 W HA 0.479 5.140 4.660 0.003 0.000 0.317 130 W C -0.314 176.368 176.519 0.272 0.000 1.310 130 W CA -0.356 57.206 57.345 0.361 0.000 1.207 130 W CB 0.874 30.613 29.460 0.464 0.000 1.199 130 W HN 0.355 nan 8.180 nan 0.000 0.544 131 V N 5.804 125.837 119.914 0.197 0.000 2.326 131 V HA 0.197 4.319 4.120 0.003 0.000 0.281 131 V C -0.298 175.788 176.094 -0.014 0.000 1.015 131 V CA -1.180 61.174 62.300 0.090 0.000 0.823 131 V CB -0.352 31.273 31.823 -0.330 0.000 1.009 131 V HN 0.342 nan 8.190 nan 0.000 0.436 132 Y N 2.148 122.539 120.300 0.150 0.000 2.289 132 Y HA 0.209 4.761 4.550 0.003 0.000 0.332 132 Y C 1.297 177.091 175.900 -0.177 0.000 1.324 132 Y CA -0.511 57.516 58.100 -0.123 0.000 1.478 132 Y CB 0.412 38.642 38.460 -0.383 0.000 1.378 132 Y HN 0.594 nan 8.280 nan 0.000 0.558 133 N N 0.366 119.016 118.700 -0.083 0.000 2.412 133 N HA -0.140 4.602 4.740 0.003 0.000 0.254 133 N C 1.136 176.571 175.510 -0.125 0.000 1.232 133 N CA 0.700 53.699 53.050 -0.086 0.000 0.880 133 N CB 1.072 39.514 38.487 -0.074 0.000 1.076 133 N HN 0.838 nan 8.380 nan 0.000 0.458 134 T N 3.174 117.690 114.554 -0.063 0.000 2.822 134 T HA -0.134 4.217 4.350 0.003 0.000 0.270 134 T C 1.436 176.123 174.700 -0.022 0.000 1.064 134 T CA 1.502 63.597 62.100 -0.008 0.000 1.131 134 T CB 0.006 68.784 68.868 -0.150 0.000 0.858 134 T HN 0.579 nan 8.240 nan 0.000 0.483 135 K N 0.095 120.455 120.400 -0.066 0.000 2.362 135 K HA 0.113 4.435 4.320 0.003 0.000 0.200 135 K C 1.884 178.390 176.600 -0.156 0.000 1.046 135 K CA 0.666 56.912 56.287 -0.068 0.000 0.952 135 K CB -0.066 32.408 32.500 -0.042 0.000 0.753 135 K HN 0.409 nan 8.250 nan 0.000 0.466 136 L N -0.081 120.940 121.223 -0.336 0.000 2.509 136 L HA 0.026 4.368 4.340 0.003 0.000 0.222 136 L C 0.086 176.694 176.870 -0.437 0.000 1.123 136 L CA 0.070 54.563 54.840 -0.579 0.000 0.856 136 L CB 0.021 41.392 42.059 -1.147 0.000 0.985 136 L HN 0.022 nan 8.230 nan 0.000 0.456 137 Y N -0.112 120.107 120.300 -0.134 0.000 2.323 137 Y HA 0.138 4.690 4.550 0.003 0.000 0.331 137 Y C 1.240 177.118 175.900 -0.038 0.000 1.092 137 Y CA -0.877 57.187 58.100 -0.060 0.000 1.150 137 Y CB 1.117 39.549 38.460 -0.046 0.000 1.200 137 Y HN -0.165 nan 8.280 nan 0.000 0.472 138 K N 1.257 121.759 120.400 0.169 0.000 2.103 138 K HA -0.026 4.296 4.320 0.003 0.000 0.204 138 K C 0.045 176.678 176.600 0.055 0.000 1.052 138 K CA 1.081 57.419 56.287 0.084 0.000 0.945 138 K CB 0.183 32.726 32.500 0.071 0.000 0.722 138 K HN 0.690 nan 8.250 nan 0.000 0.443 139 S N -0.761 114.967 115.700 0.047 0.000 2.570 139 S HA 0.390 4.862 4.470 0.003 0.000 0.286 139 S C -0.431 174.118 174.600 -0.085 0.000 1.099 139 S CA -1.187 57.002 58.200 -0.019 0.000 0.913 139 S CB 1.958 65.152 63.200 -0.010 0.000 1.085 139 S HN -0.105 nan 8.310 nan 0.000 0.480 140 V N 3.278 123.104 119.914 -0.147 0.000 2.673 140 V HA 0.231 4.352 4.120 0.003 0.000 0.303 140 V C 0.802 176.785 176.094 -0.185 0.000 1.046 140 V CA -0.392 61.790 62.300 -0.196 0.000 1.126 140 V CB -0.297 31.303 31.823 -0.371 0.000 0.934 140 V HN 0.778 nan 8.190 nan 0.000 0.487 141 R N 3.790 124.114 120.500 -0.293 0.000 2.522 141 R HA 0.333 4.675 4.340 0.003 0.000 0.284 141 R C -0.335 175.751 176.300 -0.357 0.000 1.032 141 R CA 0.118 55.969 56.100 -0.414 0.000 1.049 141 R CB -0.006 30.076 30.300 -0.363 0.000 0.956 141 R HN 0.747 nan 8.270 nan 0.000 0.422 142 I N 3.150 123.328 120.570 -0.653 0.000 2.545 142 I HA 0.458 4.629 4.170 0.003 0.000 0.292 142 I C -1.293 174.066 176.117 -1.263 0.000 1.040 142 I CA -0.882 59.933 61.300 -0.808 0.000 1.068 142 I CB 1.098 38.701 38.000 -0.662 0.000 1.251 142 I HN 0.307 nan 8.210 nan 0.000 0.424 143 F N 6.100 125.466 119.950 -0.973 0.000 2.551 143 F HA 0.549 5.077 4.527 0.003 0.000 0.316 143 F C -0.700 174.706 175.800 -0.656 0.000 1.089 143 F CA -0.462 57.092 58.000 -0.744 0.000 0.915 143 F CB 1.768 40.214 39.000 -0.923 0.000 1.186 143 F HN 0.170 nan 8.300 nan 0.000 0.456 144 F N 1.094 121.080 119.950 0.060 0.000 2.483 144 F HA 0.742 5.271 4.527 0.003 0.000 0.329 144 F C 0.566 176.379 175.800 0.022 0.000 1.064 144 F CA -1.100 56.941 58.000 0.067 0.000 0.986 144 F CB 0.990 39.976 39.000 -0.022 0.000 1.218 144 F HN 0.562 nan 8.300 nan 0.000 0.484 145 A N 1.176 123.913 122.820 -0.138 0.000 2.386 145 A HA 0.146 4.468 4.320 0.003 0.000 0.246 145 A C 0.880 178.178 177.584 -0.476 0.000 1.089 145 A CA -0.370 51.136 52.037 -0.884 0.000 0.790 145 A CB -0.073 18.367 19.000 -0.933 0.000 1.042 145 A HN 0.837 nan 8.150 nan 0.000 0.497 146 N N 0.903 119.255 118.700 -0.580 0.000 2.535 146 N HA -0.065 4.677 4.740 0.003 0.000 0.203 146 N C -0.125 175.161 175.510 -0.373 0.000 1.301 146 N CA 0.269 53.108 53.050 -0.352 0.000 0.859 146 N CB -0.569 37.764 38.487 -0.256 0.000 1.055 146 N HN 0.588 nan 8.380 nan 0.000 0.457 147 H N -0.049 118.874 119.070 -0.245 0.000 2.551 147 H HA 0.287 4.845 4.556 0.003 0.000 0.358 147 H C 0.020 175.010 175.328 -0.564 0.000 1.151 147 H CA 0.019 55.826 56.048 -0.401 0.000 1.374 147 H CB 0.902 30.417 29.762 -0.412 0.000 1.473 147 H HN 0.009 nan 8.280 nan 0.000 0.574 148 T N 3.181 117.408 114.554 -0.545 0.000 2.797 148 T HA 0.451 4.802 4.350 0.003 0.000 0.279 148 T C -0.841 173.423 174.700 -0.725 0.000 0.991 148 T CA -0.548 61.249 62.100 -0.506 0.000 0.979 148 T CB 0.304 68.988 68.868 -0.307 0.000 0.943 148 T HN 0.332 nan 8.240 nan 0.000 0.444 149 Y N 1.175 121.374 120.300 -0.169 0.000 2.361 149 Y HA 0.435 4.987 4.550 0.003 0.000 0.328 149 Y C 0.235 175.952 175.900 -0.304 0.000 1.044 149 Y CA -1.557 56.434 58.100 -0.182 0.000 1.085 149 Y CB 0.856 39.234 38.460 -0.138 0.000 1.194 149 Y HN 0.575 nan 8.280 nan 0.000 0.438 150 V N 1.179 120.973 119.914 -0.200 0.000 3.096 150 V HA 0.200 4.322 4.120 0.003 0.000 0.306 150 V C -2.068 173.956 176.094 -0.118 0.000 1.088 150 V CA -1.269 60.830 62.300 -0.336 0.000 1.129 150 V CB 0.774 32.381 31.823 -0.359 0.000 1.014 150 V HN 0.550 nan 8.190 nan 0.000 0.486 151 P HA -0.179 nan 4.420 nan 0.000 0.215 151 P C 1.953 179.232 177.300 -0.035 0.000 1.163 151 P CA 2.454 65.547 63.100 -0.012 0.000 0.894 151 P CB -0.141 31.583 31.700 0.041 0.000 0.791 152 S N -1.514 114.168 115.700 -0.029 0.000 2.584 152 S HA -0.100 4.372 4.470 0.003 0.000 0.240 152 S C 1.380 175.946 174.600 -0.056 0.000 0.975 152 S CA 0.935 59.114 58.200 -0.035 0.000 0.949 152 S CB -0.798 62.389 63.200 -0.022 0.000 0.761 152 S HN 0.117 nan 8.310 nan 0.000 0.536 153 E N 1.005 121.168 120.200 -0.062 0.000 2.526 153 E HA 0.151 4.502 4.350 0.003 0.000 0.208 153 E C -0.265 176.199 176.600 -0.227 0.000 0.997 153 E CA 0.070 56.431 56.400 -0.066 0.000 0.961 153 E CB 0.499 30.226 29.700 0.045 0.000 1.030 153 E HN 0.434 nan 8.360 nan 0.000 0.483 154 T N 3.882 118.294 114.554 -0.237 0.000 2.867 154 T HA 0.130 4.482 4.350 0.003 0.000 0.297 154 T C -2.383 172.084 174.700 -0.388 0.000 0.989 154 T CA -0.849 61.006 62.100 -0.408 0.000 1.159 154 T CB 0.629 69.379 68.868 -0.196 0.000 0.928 154 T HN -0.101 nan 8.240 nan 0.000 0.538 155 P HA 0.128 nan 4.420 nan 0.000 0.265 155 P C 0.632 177.852 177.300 -0.134 0.000 1.193 155 P CA -0.126 62.808 63.100 -0.277 0.000 0.765 155 P CB 0.395 31.949 31.700 -0.244 0.000 0.823 156 A N 6.525 129.292 122.820 -0.087 0.000 1.940 156 A HA -0.177 4.145 4.320 0.003 0.000 0.221 156 A C -0.456 177.118 177.584 -0.017 0.000 1.190 156 A CA 2.008 54.016 52.037 -0.048 0.000 0.647 156 A CB -2.383 16.597 19.000 -0.035 0.000 0.821 156 A HN 0.514 nan 8.150 nan 0.000 0.457 157 P HA 0.033 nan 4.420 nan 0.000 0.237 157 P C 0.772 178.164 177.300 0.155 0.000 1.178 157 P CA 0.683 63.826 63.100 0.071 0.000 0.766 157 P CB 0.061 31.826 31.700 0.109 0.000 0.876 158 L N -2.922 118.390 121.223 0.148 0.000 2.731 158 L HA 0.085 4.426 4.340 0.003 0.000 0.240 158 L C 1.941 178.923 176.870 0.187 0.000 1.120 158 L CA 0.009 55.038 54.840 0.316 0.000 0.913 158 L CB -0.286 41.943 42.059 0.284 0.000 1.213 158 L HN -0.228 nan 8.230 nan 0.000 0.515 159 V N -0.208 119.728 119.914 0.037 0.000 2.231 159 V HA -0.361 3.761 4.120 0.003 0.000 0.248 159 V C 2.659 178.752 176.094 -0.001 0.000 1.054 159 V CA 2.497 64.793 62.300 -0.007 0.000 1.015 159 V CB -0.432 31.368 31.823 -0.037 0.000 0.638 159 V HN 0.485 nan 8.190 nan 0.000 0.444 160 S N -1.691 113.972 115.700 -0.061 0.000 2.382 160 S HA -0.182 4.289 4.470 0.003 0.000 0.228 160 S C 1.920 176.514 174.600 -0.010 0.000 1.027 160 S CA 1.451 59.599 58.200 -0.086 0.000 0.991 160 S CB -0.369 62.720 63.200 -0.185 0.000 0.823 160 S HN 0.621 nan 8.310 nan 0.000 0.469 161 Y N 1.619 121.971 120.300 0.087 0.000 2.242 161 Y HA 0.063 4.615 4.550 0.003 0.000 0.291 161 Y C 2.547 178.570 175.900 0.207 0.000 1.137 161 Y CA 1.181 59.364 58.100 0.138 0.000 1.181 161 Y CB -0.556 37.996 38.460 0.153 0.000 0.989 161 Y HN 0.227 nan 8.280 nan 0.000 0.527 162 R N 0.402 121.078 120.500 0.295 0.000 2.073 162 R HA -0.205 4.137 4.340 0.003 0.000 0.234 162 R C 2.143 178.470 176.300 0.043 0.000 1.134 162 R CA 1.858 57.999 56.100 0.068 0.000 0.952 162 R CB -0.157 30.097 30.300 -0.077 0.000 0.850 162 R HN 0.198 nan 8.270 nan 0.000 0.433 163 E N 0.593 120.818 120.200 0.042 0.000 2.106 163 E HA -0.157 4.195 4.350 0.003 0.000 0.192 163 E C 1.681 178.306 176.600 0.041 0.000 0.984 163 E CA 1.370 57.784 56.400 0.023 0.000 0.806 163 E CB 0.023 29.728 29.700 0.007 0.000 0.750 163 E HN 0.288 nan 8.360 nan 0.000 0.458 164 E N 0.320 120.564 120.200 0.072 0.000 2.106 164 E HA -0.193 4.159 4.350 0.003 0.000 0.192 164 E C 1.933 178.581 176.600 0.080 0.000 0.984 164 E CA 1.275 57.721 56.400 0.077 0.000 0.806 164 E CB -0.184 29.579 29.700 0.105 0.000 0.750 164 E HN 0.345 nan 8.360 nan 0.000 0.458 165 E N 1.053 121.317 120.200 0.106 0.000 2.072 165 E HA -0.096 4.256 4.350 0.003 0.000 0.191 165 E C 2.161 178.785 176.600 0.042 0.000 0.985 165 E CA 0.720 57.169 56.400 0.082 0.000 0.801 165 E CB -0.302 29.484 29.700 0.142 0.000 0.750 165 E HN 0.180 nan 8.360 nan 0.000 0.452 166 L N 0.261 121.496 121.223 0.020 0.000 2.046 166 L HA -0.159 4.182 4.340 0.003 0.000 0.208 166 L C 2.510 179.375 176.870 -0.008 0.000 1.077 166 L CA 1.500 56.332 54.840 -0.012 0.000 0.747 166 L CB -0.377 41.662 42.059 -0.033 0.000 0.896 166 L HN 0.112 nan 8.230 nan 0.000 0.432 167 K N -0.699 119.707 120.400 0.010 0.000 2.097 167 K HA -0.178 4.143 4.320 0.003 0.000 0.206 167 K C 2.387 179.004 176.600 0.029 0.000 1.049 167 K CA 1.551 57.848 56.287 0.017 0.000 0.933 167 K CB -0.197 32.320 32.500 0.027 0.000 0.717 167 K HN 0.137 nan 8.250 nan 0.000 0.442 168 S N 1.037 116.760 115.700 0.038 0.000 2.383 168 S HA -0.043 4.429 4.470 0.003 0.000 0.227 168 S C 1.867 176.507 174.600 0.068 0.000 1.026 168 S CA 0.765 58.993 58.200 0.046 0.000 0.981 168 S CB -0.092 63.131 63.200 0.039 0.000 0.818 168 S HN 0.195 nan 8.310 nan 0.000 0.472 169 L N 0.652 121.921 121.223 0.077 0.000 2.201 169 L HA 0.046 4.387 4.340 0.003 0.000 0.212 169 L C 2.766 179.722 176.870 0.143 0.000 1.105 169 L CA 0.930 55.857 54.840 0.145 0.000 0.775 169 L CB -0.287 41.844 42.059 0.119 0.000 0.913 169 L HN 0.247 nan 8.230 nan 0.000 0.440 170 R N -0.208 120.328 120.500 0.061 0.000 2.161 170 R HA 0.119 4.461 4.340 0.003 0.000 0.213 170 R C 1.198 177.525 176.300 0.044 0.000 1.055 170 R CA 0.500 56.624 56.100 0.041 0.000 0.996 170 R CB -0.150 30.148 30.300 -0.004 0.000 0.901 170 R HN 0.405 nan 8.270 nan 0.000 0.456 171 G N 1.712 110.536 108.800 0.041 0.000 2.645 171 G HA2 -0.361 3.600 3.960 0.003 0.000 0.246 171 G HA3 -0.361 3.600 3.960 0.003 0.000 0.246 171 G C -0.110 174.802 174.900 0.019 0.000 1.322 171 G CA 0.279 45.393 45.100 0.023 0.000 0.898 171 G HN 0.545 nan 8.290 nan 0.000 0.573 172 N N -0.318 118.385 118.700 0.006 0.000 2.200 172 N HA 0.478 5.220 4.740 0.003 0.000 0.224 172 N C 1.507 177.020 175.510 0.005 0.000 1.179 172 N CA 1.135 54.191 53.050 0.009 0.000 0.877 172 N CB 0.799 39.288 38.487 0.004 0.000 1.072 172 N HN 2.361 nan 8.380 nan 0.000 0.519 173 G N -0.482 108.317 108.800 -0.001 0.000 2.148 173 G HA2 -0.283 3.679 3.960 0.003 0.000 0.254 173 G HA3 -0.283 3.679 3.960 0.003 0.000 0.254 173 G C 0.110 174.994 174.900 -0.027 0.000 0.981 173 G CA 0.821 45.918 45.100 -0.004 0.000 0.670 173 G HN 0.957 nan 8.290 nan 0.000 0.528 174 T N -2.978 111.552 114.554 -0.041 0.000 2.865 174 T HA 0.922 5.274 4.350 0.003 0.000 0.294 174 T C 0.404 175.056 174.700 -0.081 0.000 1.119 174 T CA 0.378 62.445 62.100 -0.055 0.000 1.007 174 T CB 2.259 71.103 68.868 -0.040 0.000 1.225 174 T HN 2.376 nan 8.240 nan 0.000 0.515 175 G N 0.484 109.229 108.800 -0.093 0.000 2.675 175 G HA2 0.065 4.026 3.960 0.003 0.000 0.686 175 G HA3 0.065 4.026 3.960 0.003 0.000 0.686 175 G C -0.699 174.099 174.900 -0.170 0.000 1.215 175 G CA -0.371 44.659 45.100 -0.118 0.000 0.777 175 G HN 1.127 nan 8.290 nan 0.000 0.638 176 E N 1.271 121.363 120.200 -0.180 0.000 2.223 176 E HA 0.384 4.736 4.350 0.003 0.000 0.282 176 E C 0.695 177.096 176.600 -0.331 0.000 1.046 176 E CA -0.827 55.434 56.400 -0.231 0.000 0.857 176 E CB 0.421 30.010 29.700 -0.184 0.000 1.055 176 E HN 0.439 nan 8.360 nan 0.000 0.409 177 R N 3.786 123.985 120.500 -0.501 0.000 2.491 177 R HA 0.200 4.542 4.340 0.003 0.000 0.283 177 R C -0.064 175.816 176.300 -0.700 0.000 1.072 177 R CA -0.175 55.425 56.100 -0.833 0.000 1.048 177 R CB 0.554 29.812 30.300 -1.737 0.000 0.983 177 R HN 0.471 nan 8.270 nan 0.000 0.450 178 K N 1.763 121.768 120.400 -0.657 0.000 2.185 178 K HA 0.117 4.439 4.320 0.003 0.000 0.240 178 K C 1.006 177.296 176.600 -0.516 0.000 0.983 178 K CA -0.700 55.228 56.287 -0.598 0.000 0.873 178 K CB 1.313 33.289 32.500 -0.873 0.000 1.118 178 K HN 0.563 nan 8.250 nan 0.000 0.441 179 E N 0.897 120.833 120.200 -0.440 0.000 2.086 179 E HA -0.262 4.089 4.350 0.003 0.000 0.200 179 E C 1.069 177.441 176.600 -0.380 0.000 1.012 179 E CA 2.072 58.312 56.400 -0.266 0.000 0.812 179 E CB -0.094 29.510 29.700 -0.160 0.000 0.743 179 E HN 0.595 nan 8.360 nan 0.000 0.453 180 Y N 0.083 120.114 120.300 -0.449 0.000 2.490 180 Y HA 0.271 4.823 4.550 0.003 0.000 0.281 180 Y C 0.130 175.898 175.900 -0.219 0.000 1.174 180 Y CA -0.446 57.219 58.100 -0.725 0.000 1.295 180 Y CB -0.343 37.230 38.460 -1.478 0.000 1.062 180 Y HN -0.230 nan 8.280 nan 0.000 0.522 181 D N 1.942 122.197 120.400 -0.241 0.000 2.382 181 D HA 0.130 4.772 4.640 0.003 0.000 0.240 181 D C 0.135 176.515 176.300 0.134 0.000 1.146 181 D CA 0.141 54.145 54.000 0.007 0.000 0.897 181 D CB 0.673 41.386 40.800 -0.147 0.000 1.197 181 D HN 0.348 nan 8.370 nan 0.000 0.432 182 R N 1.121 121.704 120.500 0.139 0.000 2.734 182 R HA 0.345 4.687 4.340 0.003 0.000 0.395 182 R C -0.477 175.897 176.300 0.123 0.000 1.096 182 R CA -0.288 55.884 56.100 0.119 0.000 1.071 182 R CB 0.294 30.715 30.300 0.200 0.000 1.348 182 R HN 0.299 nan 8.270 nan 0.000 0.600 183 I N 1.289 121.895 120.570 0.061 0.000 2.321 183 I HA 0.252 4.424 4.170 0.003 0.000 0.291 183 I C -0.618 175.482 176.117 -0.028 0.000 0.998 183 I CA -0.784 60.558 61.300 0.069 0.000 1.227 183 I CB 0.791 38.793 38.000 0.004 0.000 1.368 183 I HN 0.052 nan 8.210 nan 0.000 0.466 184 Y N 4.815 125.117 120.300 0.003 0.000 2.335 184 Y HA 0.500 5.051 4.550 0.003 0.000 0.339 184 Y C 0.043 175.852 175.900 -0.151 0.000 0.987 184 Y CA -0.391 57.671 58.100 -0.064 0.000 1.140 184 Y CB 0.938 39.369 38.460 -0.047 0.000 1.173 184 Y HN 0.473 nan 8.280 nan 0.000 0.486 185 D N 0.914 121.244 120.400 -0.116 0.000 2.665 185 D HA 0.315 4.957 4.640 0.003 0.000 0.287 185 D C -1.607 174.493 176.300 -0.333 0.000 1.266 185 D CA -0.759 53.102 54.000 -0.231 0.000 0.830 185 D CB 1.487 42.252 40.800 -0.059 0.000 1.356 185 D HN 0.277 nan 8.370 nan 0.000 0.437 186 Y N 0.260 120.558 120.300 -0.003 0.000 2.496 186 Y HA 0.599 5.150 4.550 0.003 0.000 0.331 186 Y C 0.418 176.284 175.900 -0.056 0.000 1.140 186 Y CA -0.505 57.570 58.100 -0.042 0.000 1.166 186 Y CB 1.431 39.856 38.460 -0.058 0.000 1.249 186 Y HN 0.108 nan 8.280 nan 0.000 0.479 187 D N -0.522 119.934 120.400 0.093 0.000 2.653 187 D HA 0.368 5.010 4.640 0.003 0.000 0.258 187 D C -1.237 175.059 176.300 -0.006 0.000 1.252 187 D CA -0.452 53.557 54.000 0.015 0.000 0.777 187 D CB 2.223 42.996 40.800 -0.045 0.000 1.339 187 D HN 0.383 nan 8.370 nan 0.000 0.422 188 V N -0.133 119.786 119.914 0.007 0.000 3.336 188 V HA 0.427 4.549 4.120 0.003 0.000 0.304 188 V C 0.063 176.175 176.094 0.029 0.000 1.073 188 V CA -0.183 62.159 62.300 0.069 0.000 1.074 188 V CB 0.372 32.244 31.823 0.082 0.000 1.161 188 V HN 0.491 nan 8.190 nan 0.000 0.460 189 Y N 2.795 123.105 120.300 0.016 0.000 2.636 189 Y HA 0.298 4.850 4.550 0.003 0.000 0.334 189 Y C 1.178 177.033 175.900 -0.074 0.000 1.286 189 Y CA -0.478 57.611 58.100 -0.018 0.000 1.688 189 Y CB -0.524 37.906 38.460 -0.050 0.000 1.662 189 Y HN 0.842 nan 8.280 nan 0.000 0.465 190 N N -0.347 118.363 118.700 0.017 0.000 2.234 190 N HA -0.019 4.723 4.740 0.003 0.000 0.227 190 N C -0.068 175.421 175.510 -0.036 0.000 1.151 190 N CA 0.039 53.077 53.050 -0.019 0.000 0.865 190 N CB 0.059 38.529 38.487 -0.028 0.000 1.066 190 N HN 0.465 nan 8.380 nan 0.000 0.515 191 D N -0.189 120.197 120.400 -0.023 0.000 2.479 191 D HA 0.101 4.742 4.640 0.003 0.000 0.218 191 D C 1.077 177.417 176.300 0.066 0.000 1.177 191 D CA -0.301 53.688 54.000 -0.020 0.000 0.830 191 D CB -0.167 40.575 40.800 -0.096 0.000 1.014 191 D HN 0.192 nan 8.370 nan 0.000 0.503 192 L N 0.027 121.272 121.223 0.037 0.000 2.253 192 L HA 0.281 4.623 4.340 0.003 0.000 0.205 192 L C 1.615 178.470 176.870 -0.025 0.000 1.078 192 L CA 0.465 55.313 54.840 0.014 0.000 0.805 192 L CB -0.320 41.721 42.059 -0.031 0.000 0.963 192 L HN 0.045 nan 8.230 nan 0.000 0.459 193 G N -0.241 108.534 108.800 -0.042 0.000 2.572 193 G HA2 0.077 4.039 3.960 0.003 0.000 0.261 193 G HA3 0.077 4.039 3.960 0.003 0.000 0.261 193 G C -0.311 174.571 174.900 -0.029 0.000 1.197 193 G CA -0.132 44.937 45.100 -0.052 0.000 0.870 193 G HN 0.126 nan 8.290 nan 0.000 0.548 194 N N 0.498 119.178 118.700 -0.033 0.000 2.679 194 N HA 0.251 4.993 4.740 0.003 0.000 0.302 194 N C -1.330 174.164 175.510 -0.027 0.000 1.941 194 N CA -1.692 51.345 53.050 -0.022 0.000 0.875 194 N CB 1.426 39.903 38.487 -0.018 0.000 1.278 194 N HN 0.157 nan 8.380 nan 0.000 0.490 195 P HA -0.092 nan 4.420 nan 0.000 0.218 195 P C 0.340 177.626 177.300 -0.023 0.000 1.148 195 P CA 1.066 64.148 63.100 -0.028 0.000 0.822 195 P CB 0.556 32.238 31.700 -0.029 0.000 0.784 196 D N -0.205 120.182 120.400 -0.022 0.000 2.264 196 D HA -0.112 4.530 4.640 0.003 0.000 0.208 196 D C 2.008 178.298 176.300 -0.017 0.000 0.966 196 D CA 1.001 54.990 54.000 -0.019 0.000 0.864 196 D CB -0.302 40.486 40.800 -0.020 0.000 0.933 196 D HN 0.314 nan 8.370 nan 0.000 0.499 197 K N -0.679 119.710 120.400 -0.018 0.000 2.211 197 K HA 0.043 4.365 4.320 0.003 0.000 0.201 197 K C 0.041 176.630 176.600 -0.019 0.000 1.052 197 K CA 0.343 56.620 56.287 -0.017 0.000 0.973 197 K CB 0.485 32.975 32.500 -0.017 0.000 0.766 197 K HN -0.024 nan 8.250 nan 0.000 0.466 198 S N -0.784 114.902 115.700 -0.022 0.000 2.578 198 S HA 0.115 4.586 4.470 0.003 0.000 0.285 198 S C -0.498 174.087 174.600 -0.026 0.000 1.126 198 S CA -0.696 57.490 58.200 -0.023 0.000 0.878 198 S CB 1.486 64.671 63.200 -0.025 0.000 1.091 198 S HN 0.283 nan 8.310 nan 0.000 0.450 199 E N 1.976 122.162 120.200 -0.023 0.000 2.204 199 E HA -0.076 4.275 4.350 0.003 0.000 0.195 199 E C 1.219 177.800 176.600 -0.031 0.000 0.990 199 E CA 0.861 57.247 56.400 -0.024 0.000 0.821 199 E CB 0.033 29.723 29.700 -0.017 0.000 0.750 199 E HN 0.506 nan 8.360 nan 0.000 0.477 200 K N 0.214 120.594 120.400 -0.034 0.000 2.362 200 K HA -0.038 4.284 4.320 0.003 0.000 0.200 200 K C 1.368 177.931 176.600 -0.062 0.000 1.046 200 K CA 0.587 56.846 56.287 -0.046 0.000 0.952 200 K CB 0.173 32.647 32.500 -0.042 0.000 0.753 200 K HN 0.174 nan 8.250 nan 0.000 0.466 201 L N 0.576 121.766 121.223 -0.055 0.000 2.700 201 L HA 0.205 4.547 4.340 0.003 0.000 0.234 201 L C 0.495 177.326 176.870 -0.066 0.000 1.156 201 L CA -0.611 54.191 54.840 -0.064 0.000 0.946 201 L CB 0.273 42.301 42.059 -0.051 0.000 1.216 201 L HN -0.033 nan 8.230 nan 0.000 0.493 202 A N 1.039 123.822 122.820 -0.060 0.000 2.440 202 A HA 0.565 4.887 4.320 0.003 0.000 0.251 202 A C 0.045 177.580 177.584 -0.082 0.000 1.089 202 A CA -0.018 51.984 52.037 -0.059 0.000 0.779 202 A CB 0.289 19.264 19.000 -0.042 0.000 1.022 202 A HN 0.192 nan 8.150 nan 0.000 0.492 203 R N 1.850 122.294 120.500 -0.094 0.000 2.744 203 R HA 0.524 4.866 4.340 0.003 0.000 0.279 203 R C -2.860 173.342 176.300 -0.164 0.000 0.977 203 R CA -1.800 54.218 56.100 -0.137 0.000 0.906 203 R CB 1.355 31.563 30.300 -0.153 0.000 1.197 203 R HN 0.697 nan 8.270 nan 0.000 0.463 204 P HA 0.115 nan 4.420 nan 0.000 0.271 204 P C -0.175 176.916 177.300 -0.347 0.000 1.218 204 P CA -0.358 62.539 63.100 -0.339 0.000 0.780 204 P CB 0.707 31.968 31.700 -0.731 0.000 0.901 205 V N 3.727 123.520 119.914 -0.201 0.000 2.521 205 V HA 0.033 4.155 4.120 0.003 0.000 0.286 205 V C 0.779 176.779 176.094 -0.157 0.000 1.034 205 V CA -0.013 62.215 62.300 -0.120 0.000 1.045 205 V CB 0.065 31.879 31.823 -0.015 0.000 0.974 205 V HN 0.335 nan 8.190 nan 0.000 0.480 206 L N 5.385 126.510 121.223 -0.163 0.000 2.265 206 L HA 0.831 5.172 4.340 0.003 0.000 0.289 206 L C 0.565 177.473 176.870 0.063 0.000 1.033 206 L CA -0.099 54.626 54.840 -0.191 0.000 0.814 206 L CB 1.076 42.719 42.059 -0.693 0.000 1.203 206 L HN 0.925 nan 8.230 nan 0.000 0.423 207 G N 1.232 110.144 108.800 0.187 0.000 2.640 207 G HA2 0.330 4.291 3.960 0.003 0.000 0.686 207 G HA3 0.330 4.291 3.960 0.003 0.000 0.686 207 G C 0.246 175.247 174.900 0.167 0.000 1.229 207 G CA -0.302 44.932 45.100 0.223 0.000 0.796 207 G HN 1.058 nan 8.290 nan 0.000 0.654 208 G N -1.173 107.715 108.800 0.146 0.000 2.159 208 G HA2 0.265 4.227 3.960 0.003 0.000 0.256 208 G HA3 0.265 4.227 3.960 0.003 0.000 0.256 208 G C 0.768 175.732 174.900 0.107 0.000 0.977 208 G CA 1.522 46.684 45.100 0.103 0.000 0.652 208 G HN 2.805 nan 8.290 nan 0.000 0.531 209 S N -1.578 114.207 115.700 0.142 0.000 2.618 209 S HA 0.766 5.238 4.470 0.003 0.000 0.277 209 S C 1.099 175.763 174.600 0.106 0.000 1.138 209 S CA 0.691 58.961 58.200 0.116 0.000 0.844 209 S CB 1.502 64.787 63.200 0.141 0.000 1.127 209 S HN 1.377 nan 8.310 nan 0.000 0.474 210 S N 0.502 116.235 115.700 0.054 0.000 2.436 210 S HA -0.037 4.435 4.470 0.003 0.000 0.228 210 S C 1.462 176.051 174.600 -0.019 0.000 1.014 210 S CA 1.257 59.479 58.200 0.036 0.000 0.950 210 S CB -1.118 62.092 63.200 0.016 0.000 0.784 210 S HN 0.763 nan 8.310 nan 0.000 0.504 211 T N 1.270 115.758 114.554 -0.109 0.000 2.812 211 T HA 0.162 4.514 4.350 0.003 0.000 0.264 211 T C -0.178 174.211 174.700 -0.520 0.000 1.042 211 T CA 0.894 62.763 62.100 -0.385 0.000 1.140 211 T CB -0.326 68.204 68.868 -0.563 0.000 0.870 211 T HN 0.476 nan 8.240 nan 0.000 0.445 212 F N 2.533 122.544 119.950 0.102 0.000 2.550 212 F HA 0.366 4.895 4.527 0.003 0.000 0.348 212 F C -2.513 173.389 175.800 0.170 0.000 1.219 212 F CA -3.329 54.740 58.000 0.115 0.000 1.203 212 F CB 0.966 39.996 39.000 0.051 0.000 1.436 212 F HN -0.089 nan 8.300 nan 0.000 0.541 213 P HA 0.212 nan 4.420 nan 0.000 0.274 213 P C -1.184 176.453 177.300 0.562 0.000 1.231 213 P CA -0.087 63.282 63.100 0.448 0.000 0.790 213 P CB 1.874 33.843 31.700 0.449 0.000 0.951 214 Y N 0.635 121.011 120.300 0.127 0.000 2.583 214 Y HA 0.282 4.833 4.550 0.003 0.000 0.330 214 Y C -2.651 172.960 175.900 -0.482 0.000 1.185 214 Y CA -1.898 55.947 58.100 -0.425 0.000 1.107 214 Y CB 1.463 39.791 38.460 -0.219 0.000 1.344 214 Y HN 0.270 nan 8.280 nan 0.000 0.463 215 P HA 0.190 nan 4.420 nan 0.000 0.268 215 P C -0.639 176.542 177.300 -0.199 0.000 1.208 215 P CA -0.096 62.573 63.100 -0.718 0.000 0.777 215 P CB 0.561 31.721 31.700 -0.900 0.000 0.875 216 R N 2.071 122.459 120.500 -0.186 0.000 2.583 216 R HA 0.477 4.818 4.340 0.003 0.000 0.268 216 R C 0.731 177.056 176.300 0.042 0.000 1.101 216 R CA -0.342 55.769 56.100 0.017 0.000 1.180 216 R CB 0.520 30.824 30.300 0.007 0.000 1.128 216 R HN 0.617 nan 8.270 nan 0.000 0.568 217 R N -1.448 119.033 120.500 -0.032 0.000 2.950 217 R HA 0.573 4.915 4.340 0.003 0.000 0.253 217 R C -0.115 176.129 176.300 -0.094 0.000 1.168 217 R CA -0.797 55.227 56.100 -0.126 0.000 1.014 217 R CB -0.274 29.742 30.300 -0.474 0.000 1.228 217 R HN 0.592 nan 8.270 nan 0.000 0.487 218 G N 0.571 109.312 108.800 -0.099 0.000 2.365 218 G HA2 0.191 4.153 3.960 0.003 0.000 0.249 218 G HA3 0.191 4.153 3.960 0.003 0.000 0.249 218 G C -0.628 174.227 174.900 -0.075 0.000 1.288 218 G CA -0.531 44.514 45.100 -0.092 0.000 0.887 218 G HN 0.569 nan 8.290 nan 0.000 0.524 219 R N 1.061 121.523 120.500 -0.063 0.000 2.537 219 R HA 0.198 4.540 4.340 0.003 0.000 0.280 219 R C 1.367 177.640 176.300 -0.045 0.000 1.058 219 R CA 0.707 56.768 56.100 -0.064 0.000 1.057 219 R CB 0.461 30.723 30.300 -0.063 0.000 0.973 219 R HN 0.612 nan 8.270 nan 0.000 0.438 220 T N 0.216 114.705 114.554 -0.108 0.000 2.987 220 T HA 0.182 4.534 4.350 0.003 0.000 0.248 220 T C 1.252 175.803 174.700 -0.248 0.000 0.997 220 T CA 0.327 62.338 62.100 -0.149 0.000 1.013 220 T CB 0.337 69.100 68.868 -0.175 0.000 1.077 220 T HN 0.751 nan 8.240 nan 0.000 0.483 221 G N 2.444 111.124 108.800 -0.201 0.000 2.249 221 G HA2 -0.321 3.640 3.960 0.003 0.000 0.273 221 G HA3 -0.321 3.640 3.960 0.003 0.000 0.273 221 G C 0.814 175.604 174.900 -0.184 0.000 1.036 221 G CA 0.447 45.437 45.100 -0.184 0.000 0.824 221 G HN 0.557 nan 8.290 nan 0.000 0.504 222 R N 0.066 120.448 120.500 -0.198 0.000 2.285 222 R HA 0.307 4.649 4.340 0.003 0.000 0.213 222 R C 1.700 177.919 176.300 -0.135 0.000 1.068 222 R CA 0.899 56.893 56.100 -0.178 0.000 1.004 222 R CB -0.094 30.081 30.300 -0.209 0.000 0.873 222 R HN 1.637 nan 8.270 nan 0.000 0.467 223 G N 1.042 109.768 108.800 -0.123 0.000 2.661 223 G HA2 -0.164 3.797 3.960 0.003 0.000 0.685 223 G HA3 -0.164 3.797 3.960 0.003 0.000 0.685 223 G C -2.879 171.971 174.900 -0.084 0.000 1.298 223 G CA -1.011 44.034 45.100 -0.093 0.000 0.855 223 G HN -0.033 nan 8.290 nan 0.000 0.560 224 P HA 0.380 nan 4.420 nan 0.000 0.276 224 P C 0.865 178.134 177.300 -0.051 0.000 1.244 224 P CA 0.439 63.506 63.100 -0.056 0.000 0.801 224 P CB 0.787 32.461 31.700 -0.043 0.000 1.006 225 T N -1.903 112.624 114.554 -0.046 0.000 2.726 225 T HA 0.108 4.460 4.350 0.003 0.000 0.294 225 T C 1.489 176.170 174.700 -0.032 0.000 1.013 225 T CA -0.521 61.556 62.100 -0.039 0.000 0.996 225 T CB -0.290 68.558 68.868 -0.035 0.000 1.016 225 T HN 0.120 nan 8.240 nan 0.000 0.529 226 V N 1.124 121.022 119.914 -0.028 0.000 2.591 226 V HA -0.050 4.071 4.120 0.003 0.000 0.249 226 V C 2.956 179.038 176.094 -0.020 0.000 1.053 226 V CA 1.894 64.180 62.300 -0.023 0.000 1.068 226 V CB -1.170 30.640 31.823 -0.021 0.000 0.689 226 V HN 1.159 nan 8.190 nan 0.000 0.462 227 T N -3.081 111.461 114.554 -0.020 0.000 3.057 227 T HA 0.058 4.409 4.350 0.003 0.000 0.254 227 T C 0.419 175.109 174.700 -0.017 0.000 1.094 227 T CA 0.536 62.626 62.100 -0.017 0.000 1.088 227 T CB 0.172 69.030 68.868 -0.016 0.000 0.934 227 T HN 0.389 nan 8.240 nan 0.000 0.497 228 D N 1.595 121.983 120.400 -0.020 0.000 2.479 228 D HA 0.319 4.960 4.640 0.003 0.000 0.246 228 D C -2.239 174.048 176.300 -0.022 0.000 1.336 228 D CA -2.362 51.626 54.000 -0.019 0.000 0.967 228 D CB 2.196 42.983 40.800 -0.020 0.000 1.275 228 D HN -0.133 nan 8.370 nan 0.000 0.577 229 P HA -0.050 nan 4.420 nan 0.000 0.231 229 P C 0.217 177.504 177.300 -0.022 0.000 1.158 229 P CA 0.712 63.799 63.100 -0.022 0.000 0.763 229 P CB 0.288 31.978 31.700 -0.017 0.000 0.805 230 N N -1.331 117.358 118.700 -0.019 0.000 2.299 230 N HA 0.038 4.780 4.740 0.003 0.000 0.187 230 N C -0.069 175.425 175.510 -0.026 0.000 1.099 230 N CA 0.190 53.230 53.050 -0.017 0.000 0.867 230 N CB 0.265 38.749 38.487 -0.005 0.000 0.974 230 N HN 0.011 nan 8.380 nan 0.000 0.477 231 T N 0.503 115.037 114.554 -0.033 0.000 2.797 231 T HA 0.145 4.496 4.350 0.003 0.000 0.279 231 T C -0.457 174.211 174.700 -0.055 0.000 0.991 231 T CA -0.543 61.532 62.100 -0.042 0.000 0.979 231 T CB 2.323 71.168 68.868 -0.040 0.000 0.943 231 T HN 0.032 nan 8.240 nan 0.000 0.444 232 E N 2.893 123.050 120.200 -0.071 0.000 2.316 232 E HA 0.145 4.497 4.350 0.003 0.000 0.275 232 E C 0.313 176.854 176.600 -0.098 0.000 1.029 232 E CA -0.671 55.669 56.400 -0.100 0.000 0.871 232 E CB 0.558 30.171 29.700 -0.145 0.000 1.022 232 E HN 0.534 nan 8.360 nan 0.000 0.418 233 K N 3.636 123.978 120.400 -0.097 0.000 2.336 233 K HA 0.030 4.352 4.320 0.003 0.000 0.262 233 K C 0.011 176.555 176.600 -0.094 0.000 0.992 233 K CA -0.485 55.755 56.287 -0.079 0.000 0.927 233 K CB 0.515 32.972 32.500 -0.072 0.000 0.956 233 K HN 0.347 nan 8.250 nan 0.000 0.495 234 Q N -0.027 119.748 119.800 -0.041 0.000 2.492 234 Q HA 0.269 4.611 4.340 0.003 0.000 0.238 234 Q C 0.153 176.147 176.000 -0.010 0.000 1.045 234 Q CA 0.305 56.115 55.803 0.012 0.000 0.934 234 Q CB 1.297 30.061 28.738 0.043 0.000 1.276 234 Q HN 0.885 nan 8.270 nan 0.000 0.521 235 G N 0.146 108.997 108.800 0.085 0.000 2.733 235 G HA2 0.239 4.201 3.960 0.003 0.000 0.297 235 G HA3 0.239 4.201 3.960 0.003 0.000 0.297 235 G C -0.038 174.974 174.900 0.186 0.000 1.422 235 G CA -0.459 44.679 45.100 0.063 0.000 0.942 235 G HN 0.504 nan 8.290 nan 0.000 0.510 236 E N 0.185 120.446 120.200 0.101 0.000 2.152 236 E HA 0.009 4.360 4.350 0.003 0.000 0.192 236 E C 0.613 177.287 176.600 0.122 0.000 0.983 236 E CA 0.909 57.362 56.400 0.089 0.000 0.818 236 E CB 0.160 29.884 29.700 0.040 0.000 0.758 236 E HN 0.251 nan 8.360 nan 0.000 0.467 237 V N 1.471 121.477 119.914 0.153 0.000 2.531 237 V HA 0.277 4.399 4.120 0.003 0.000 0.301 237 V C -1.030 175.239 176.094 0.291 0.000 1.034 237 V CA -0.793 61.611 62.300 0.173 0.000 0.865 237 V CB 1.323 33.191 31.823 0.076 0.000 0.995 237 V HN -0.021 nan 8.190 nan 0.000 0.424 238 F N 4.834 124.773 119.950 -0.018 0.000 2.390 238 F HA 0.370 4.898 4.527 0.003 0.000 0.361 238 F C 0.200 176.001 175.800 0.003 0.000 1.124 238 F CA -1.104 56.891 58.000 -0.009 0.000 1.149 238 F CB 0.330 39.315 39.000 -0.025 0.000 1.160 238 F HN 0.583 nan 8.300 nan 0.000 0.501 239 Y N 4.866 125.152 120.300 -0.022 0.000 2.683 239 Y HA 0.409 4.960 4.550 0.003 0.000 0.340 239 Y C -0.458 175.389 175.900 -0.088 0.000 1.245 239 Y CA -0.591 57.457 58.100 -0.087 0.000 1.485 239 Y CB 0.570 38.931 38.460 -0.166 0.000 1.328 239 Y HN 0.351 nan 8.280 nan 0.000 0.603 240 V N 3.209 122.505 119.914 -1.030 0.000 2.971 240 V HA 0.589 4.711 4.120 0.003 0.000 0.309 240 V C -2.933 172.296 176.094 -1.441 0.000 1.130 240 V CA -3.012 58.669 62.300 -1.031 0.000 0.964 240 V CB 1.633 33.203 31.823 -0.422 0.000 1.029 240 V HN 0.693 nan 8.190 nan 0.000 0.427 241 P HA 0.100 nan 4.420 nan 0.000 0.263 241 P C 0.604 177.667 177.300 -0.394 0.000 1.175 241 P CA 0.269 62.908 63.100 -0.769 0.000 0.761 241 P CB 0.512 31.528 31.700 -1.141 0.000 0.794 242 R N 3.706 124.115 120.500 -0.151 0.000 2.134 242 R HA -0.218 4.124 4.340 0.003 0.000 0.248 242 R C 1.051 177.446 176.300 0.159 0.000 1.143 242 R CA 2.123 58.233 56.100 0.018 0.000 0.957 242 R CB -1.131 29.269 30.300 0.167 0.000 0.867 242 R HN 0.455 nan 8.270 nan 0.000 0.441 243 D N 0.081 120.623 120.400 0.237 0.000 2.363 243 D HA -0.066 4.575 4.640 0.003 0.000 0.220 243 D C 1.066 177.496 176.300 0.216 0.000 0.994 243 D CA 0.483 54.688 54.000 0.343 0.000 0.890 243 D CB 0.088 41.116 40.800 0.380 0.000 0.906 243 D HN 0.323 nan 8.370 nan 0.000 0.530 244 E N 0.358 120.606 120.200 0.080 0.000 2.371 244 E HA -0.049 4.302 4.350 0.003 0.000 0.194 244 E C 0.627 177.246 176.600 0.030 0.000 1.012 244 E CA 0.142 56.568 56.400 0.043 0.000 0.860 244 E CB -0.171 29.492 29.700 -0.061 0.000 0.811 244 E HN 0.109 nan 8.360 nan 0.000 0.502 245 N N 1.570 120.281 118.700 0.017 0.000 2.521 245 N HA 0.052 4.794 4.740 0.003 0.000 0.236 245 N C -0.678 174.858 175.510 0.043 0.000 1.067 245 N CA -0.053 53.001 53.050 0.006 0.000 0.939 245 N CB -0.036 38.422 38.487 -0.048 0.000 1.201 245 N HN -0.053 nan 8.380 nan 0.000 0.511 246 L N 2.090 123.319 121.223 0.011 0.000 2.477 246 L HA 0.301 4.642 4.340 0.003 0.000 0.272 246 L C 1.461 178.168 176.870 -0.271 0.000 1.157 246 L CA -0.618 54.156 54.840 -0.111 0.000 0.889 246 L CB 0.189 42.154 42.059 -0.158 0.000 1.158 246 L HN 0.422 nan 8.230 nan 0.000 0.473 247 G N 2.543 111.209 108.800 -0.224 0.000 2.504 247 G HA2 0.443 4.405 3.960 0.003 0.000 0.288 247 G HA3 0.443 4.405 3.960 0.003 0.000 0.288 247 G C -0.615 174.008 174.900 -0.462 0.000 1.182 247 G CA -0.367 44.632 45.100 -0.167 0.000 0.894 247 G HN 0.653 nan 8.290 nan 0.000 0.521 248 H N 0.605 119.698 119.070 0.038 0.000 2.806 248 H HA 0.238 4.796 4.556 0.003 0.000 0.367 248 H C 0.748 176.096 175.328 0.033 0.000 1.136 248 H CA -0.617 55.447 56.048 0.027 0.000 1.178 248 H CB 2.418 32.200 29.762 0.033 0.000 1.718 248 H HN 0.261 nan 8.280 nan 0.000 0.540 249 L N 0.808 122.114 121.223 0.138 0.000 2.093 249 L HA -0.071 4.270 4.340 0.003 0.000 0.208 249 L C 0.337 177.266 176.870 0.099 0.000 1.085 249 L CA 1.528 56.426 54.840 0.097 0.000 0.755 249 L CB -0.044 42.059 42.059 0.072 0.000 0.904 249 L HN 0.248 nan 8.230 nan 0.000 0.435 250 K N -1.065 119.400 120.400 0.108 0.000 2.274 250 K HA 0.170 4.491 4.320 0.003 0.000 0.262 250 K C 0.800 177.436 176.600 0.060 0.000 0.961 250 K CA -0.174 56.155 56.287 0.070 0.000 0.833 250 K CB 2.058 34.588 32.500 0.049 0.000 1.102 250 K HN -0.267 nan 8.250 nan 0.000 0.436 251 S N 2.887 118.614 115.700 0.045 0.000 2.400 251 S HA -0.170 4.301 4.470 0.003 0.000 0.232 251 S C 1.588 176.176 174.600 -0.019 0.000 1.025 251 S CA 1.603 59.819 58.200 0.028 0.000 0.993 251 S CB -0.031 63.185 63.200 0.027 0.000 0.808 251 S HN 0.691 nan 8.310 nan 0.000 0.478 252 K N -0.061 120.327 120.400 -0.020 0.000 2.360 252 K HA -0.066 4.255 4.320 0.003 0.000 0.201 252 K C 0.709 177.261 176.600 -0.081 0.000 1.046 252 K CA 1.536 57.800 56.287 -0.039 0.000 0.945 252 K CB -0.234 32.254 32.500 -0.020 0.000 0.750 252 K HN 0.215 nan 8.250 nan 0.000 0.464 253 D N 1.260 121.584 120.400 -0.127 0.000 2.340 253 D HA 0.062 4.703 4.640 0.003 0.000 0.220 253 D C 0.323 176.247 176.300 -0.627 0.000 1.039 253 D CA 0.390 54.235 54.000 -0.259 0.000 0.866 253 D CB 0.480 41.178 40.800 -0.169 0.000 0.913 253 D HN 0.372 nan 8.370 nan 0.000 0.523 254 A N 0.868 123.404 122.820 -0.473 0.000 3.117 254 A HA 0.178 4.500 4.320 0.003 0.000 0.255 254 A C 1.677 179.173 177.584 -0.147 0.000 1.583 254 A CA -0.199 51.613 52.037 -0.376 0.000 1.234 254 A CB -0.947 18.026 19.000 -0.044 0.000 1.076 254 A HN 0.170 nan 8.150 nan 0.000 0.653 255 L N 0.227 121.365 121.223 -0.141 0.000 2.081 255 L HA -0.236 4.106 4.340 0.003 0.000 0.212 255 L C 2.852 179.728 176.870 0.011 0.000 1.080 255 L CA 1.726 56.544 54.840 -0.036 0.000 0.754 255 L CB -0.354 41.709 42.059 0.006 0.000 0.893 255 L HN 0.758 nan 8.230 nan 0.000 0.433 256 E N 1.458 121.681 120.200 0.038 0.000 2.209 256 E HA -0.258 4.094 4.350 0.003 0.000 0.196 256 E C 1.985 178.603 176.600 0.031 0.000 0.993 256 E CA 1.905 58.342 56.400 0.061 0.000 0.819 256 E CB -0.661 29.096 29.700 0.096 0.000 0.745 256 E HN 0.793 nan 8.360 nan 0.000 0.477 257 I N -1.418 119.165 120.570 0.020 0.000 2.830 257 I HA 0.151 4.323 4.170 0.003 0.000 0.263 257 I C 2.242 178.355 176.117 -0.007 0.000 1.230 257 I CA 1.024 62.327 61.300 0.005 0.000 1.480 257 I CB -0.537 37.469 38.000 0.010 0.000 1.095 257 I HN -0.016 nan 8.210 nan 0.000 0.455 258 G N 1.980 110.778 108.800 -0.004 0.000 2.442 258 G HA2 -0.306 3.656 3.960 0.003 0.000 0.219 258 G HA3 -0.306 3.656 3.960 0.003 0.000 0.219 258 G C 1.748 176.647 174.900 -0.001 0.000 1.141 258 G CA 1.660 46.756 45.100 -0.005 0.000 0.763 258 G HN 0.568 nan 8.290 nan 0.000 0.554 259 T N -0.644 113.909 114.554 -0.001 0.000 2.746 259 T HA -0.091 4.261 4.350 0.003 0.000 0.267 259 T C 2.142 176.822 174.700 -0.033 0.000 1.039 259 T CA 1.700 63.793 62.100 -0.010 0.000 1.142 259 T CB -0.226 68.629 68.868 -0.023 0.000 0.866 259 T HN 0.381 nan 8.240 nan 0.000 0.444 260 K N 0.934 121.305 120.400 -0.047 0.000 2.026 260 K HA -0.067 4.255 4.320 0.003 0.000 0.208 260 K C 2.645 179.218 176.600 -0.045 0.000 1.048 260 K CA 1.523 57.772 56.287 -0.064 0.000 0.929 260 K CB -0.330 32.129 32.500 -0.068 0.000 0.713 260 K HN 0.348 nan 8.250 nan 0.000 0.439 261 S N 1.155 116.836 115.700 -0.031 0.000 2.382 261 S HA -0.144 4.328 4.470 0.003 0.000 0.228 261 S C 1.710 176.294 174.600 -0.027 0.000 1.027 261 S CA 1.129 59.311 58.200 -0.028 0.000 0.991 261 S CB -0.293 62.894 63.200 -0.022 0.000 0.823 261 S HN 0.282 nan 8.310 nan 0.000 0.469 262 L N 1.545 122.762 121.223 -0.010 0.000 2.017 262 L HA -0.011 4.330 4.340 0.003 0.000 0.208 262 L C 2.409 179.279 176.870 -0.001 0.000 1.073 262 L CA 1.978 56.823 54.840 0.009 0.000 0.745 262 L CB -1.107 40.983 42.059 0.052 0.000 0.894 262 L HN 0.268 nan 8.230 nan 0.000 0.432 263 S N -1.388 114.305 115.700 -0.012 0.000 2.368 263 S HA -0.187 4.285 4.470 0.003 0.000 0.224 263 S C 1.916 176.498 174.600 -0.030 0.000 1.029 263 S CA 1.424 59.612 58.200 -0.020 0.000 0.988 263 S CB -0.157 63.017 63.200 -0.043 0.000 0.838 263 S HN 0.679 nan 8.310 nan 0.000 0.462 264 Q N -0.565 119.211 119.800 -0.040 0.000 2.269 264 Q HA 0.201 4.543 4.340 0.003 0.000 0.201 264 Q C 1.699 177.674 176.000 -0.040 0.000 0.946 264 Q CA 1.079 56.858 55.803 -0.040 0.000 0.877 264 Q CB 0.146 28.859 28.738 -0.042 0.000 0.963 264 Q HN 0.583 nan 8.270 nan 0.000 0.472 265 I N -1.745 118.796 120.570 -0.049 0.000 3.570 265 I HA -0.060 4.112 4.170 0.003 0.000 0.270 265 I C 1.811 177.865 176.117 -0.105 0.000 1.162 265 I CA 0.187 61.449 61.300 -0.064 0.000 1.413 265 I CB 0.251 38.215 38.000 -0.059 0.000 1.437 265 I HN -0.115 nan 8.210 nan 0.000 0.457 266 V N 1.020 120.854 119.914 -0.134 0.000 2.379 266 V HA -0.256 3.866 4.120 0.003 0.000 0.245 266 V C 2.436 178.348 176.094 -0.303 0.000 1.044 266 V CA 1.954 64.084 62.300 -0.283 0.000 1.036 266 V CB -0.688 30.975 31.823 -0.267 0.000 0.664 266 V HN 0.451 nan 8.190 nan 0.000 0.453 267 Q N 0.108 119.853 119.800 -0.092 0.000 2.061 267 Q HA -0.214 4.127 4.340 0.003 0.000 0.204 267 Q C -0.069 175.954 176.000 0.038 0.000 0.984 267 Q CA 2.411 58.239 55.803 0.041 0.000 0.846 267 Q CB -0.940 27.829 28.738 0.053 0.000 0.902 267 Q HN 0.480 nan 8.270 nan 0.000 0.421 268 P HA -0.123 nan 4.420 nan 0.000 0.217 268 P C 0.663 177.974 177.300 0.018 0.000 1.150 268 P CA 1.965 65.070 63.100 0.008 0.000 0.832 268 P CB -0.176 31.516 31.700 -0.013 0.000 0.787 269 A N -1.279 121.514 122.820 -0.045 0.000 1.902 269 A HA -0.198 4.124 4.320 0.003 0.000 0.217 269 A C 1.932 179.569 177.584 0.088 0.000 1.181 269 A CA 1.453 53.462 52.037 -0.047 0.000 0.623 269 A CB -1.739 17.157 19.000 -0.173 0.000 0.818 269 A HN 0.036 nan 8.150 nan 0.000 0.443 270 F N 0.405 120.396 119.950 0.068 0.000 2.102 270 F HA -0.102 4.426 4.527 0.003 0.000 0.298 270 F C 2.402 178.324 175.800 0.203 0.000 1.105 270 F CA 1.333 59.416 58.000 0.138 0.000 1.239 270 F CB -1.005 38.054 39.000 0.098 0.000 0.991 270 F HN 0.361 nan 8.300 nan 0.000 0.474 271 E N -0.178 120.197 120.200 0.292 0.000 2.118 271 E HA -0.207 4.145 4.350 0.003 0.000 0.195 271 E C 2.316 179.039 176.600 0.205 0.000 0.992 271 E CA 1.659 58.166 56.400 0.179 0.000 0.804 271 E CB -0.299 29.447 29.700 0.077 0.000 0.741 271 E HN 0.421 nan 8.360 nan 0.000 0.458 272 S N 0.910 116.709 115.700 0.165 0.000 2.383 272 S HA -0.075 4.396 4.470 0.003 0.000 0.227 272 S C 2.268 176.947 174.600 0.133 0.000 1.026 272 S CA 0.802 59.073 58.200 0.118 0.000 0.981 272 S CB -0.160 63.083 63.200 0.073 0.000 0.818 272 S HN 0.278 nan 8.310 nan 0.000 0.472 273 A N 0.817 123.746 122.820 0.181 0.000 1.940 273 A HA 0.103 4.424 4.320 0.003 0.000 0.219 273 A C 1.866 179.449 177.584 -0.001 0.000 1.176 273 A CA 1.384 53.475 52.037 0.090 0.000 0.631 273 A CB -0.946 18.121 19.000 0.112 0.000 0.814 273 A HN 0.558 nan 8.150 nan 0.000 0.446 274 F N 0.239 120.200 119.950 0.017 0.000 2.219 274 F HA -0.032 4.496 4.527 0.003 0.000 0.294 274 F C 2.012 177.808 175.800 -0.007 0.000 1.086 274 F CA 1.215 59.208 58.000 -0.012 0.000 1.330 274 F CB -0.286 38.695 39.000 -0.032 0.000 1.047 274 F HN 0.162 nan 8.300 nan 0.000 0.495 275 D N 0.272 120.783 120.400 0.186 0.000 2.178 275 D HA -0.119 4.522 4.640 0.003 0.000 0.201 275 D C 2.141 178.474 176.300 0.055 0.000 0.980 275 D CA 1.175 55.234 54.000 0.099 0.000 0.842 275 D CB -0.321 40.525 40.800 0.077 0.000 0.948 275 D HN 0.260 nan 8.370 nan 0.000 0.472 276 L N -0.000 121.247 121.223 0.041 0.000 2.591 276 L HA 0.074 4.415 4.340 0.003 0.000 0.228 276 L C 0.354 177.216 176.870 -0.013 0.000 1.133 276 L CA 0.113 54.960 54.840 0.012 0.000 0.880 276 L CB -0.143 41.923 42.059 0.011 0.000 1.033 276 L HN -0.059 nan 8.230 nan 0.000 0.450 277 K N -0.555 119.829 120.400 -0.028 0.000 3.096 277 K HA -0.176 4.145 4.320 0.003 0.000 0.266 277 K C 0.866 177.411 176.600 -0.092 0.000 1.043 277 K CA 0.460 56.710 56.287 -0.062 0.000 0.758 277 K CB -1.962 30.520 32.500 -0.029 0.000 1.260 277 K HN 0.225 nan 8.250 nan 0.000 0.481 278 S N -0.467 115.159 115.700 -0.124 0.000 2.558 278 S HA -0.000 4.471 4.470 0.003 0.000 0.217 278 S C 0.639 175.136 174.600 -0.172 0.000 0.975 278 S CA 0.516 58.646 58.200 -0.116 0.000 0.912 278 S CB 0.768 63.922 63.200 -0.078 0.000 0.776 278 S HN 0.501 nan 8.310 nan 0.000 0.526 279 T N 1.975 116.357 114.554 -0.285 0.000 2.923 279 T HA 0.438 4.790 4.350 0.003 0.000 0.311 279 T C -3.176 171.322 174.700 -0.337 0.000 1.183 279 T CA -1.890 60.013 62.100 -0.328 0.000 1.020 279 T CB 1.213 69.796 68.868 -0.475 0.000 1.165 279 T HN -0.261 nan 8.240 nan 0.000 0.482 280 P HA 0.154 nan 4.420 nan 0.000 0.266 280 P C 0.940 178.169 177.300 -0.119 0.000 1.195 280 P CA -0.362 62.693 63.100 -0.075 0.000 0.768 280 P CB 0.331 32.068 31.700 0.061 0.000 0.838 281 I N 0.428 121.000 120.570 0.004 0.000 2.394 281 I HA -0.046 4.125 4.170 0.003 0.000 0.251 281 I C 1.048 177.190 176.117 0.041 0.000 1.136 281 I CA 1.644 63.023 61.300 0.133 0.000 1.425 281 I CB -0.827 37.248 38.000 0.124 0.000 1.079 281 I HN 0.393 nan 8.210 nan 0.000 0.425 282 E N -0.111 120.027 120.200 -0.103 0.000 2.299 282 E HA 0.379 4.731 4.350 0.003 0.000 0.265 282 E C -1.064 175.253 176.600 -0.471 0.000 0.911 282 E CA -0.891 55.317 56.400 -0.319 0.000 0.789 282 E CB 2.095 31.595 29.700 -0.332 0.000 1.246 282 E HN -0.172 nan 8.360 nan 0.000 0.427 283 F N 1.177 120.955 119.950 -0.287 0.000 2.418 283 F HA 0.115 4.644 4.527 0.003 0.000 0.341 283 F C 1.873 177.414 175.800 -0.431 0.000 1.120 283 F CA 0.200 58.063 58.000 -0.229 0.000 1.232 283 F CB 0.485 39.419 39.000 -0.111 0.000 1.175 283 F HN 0.425 nan 8.300 nan 0.000 0.569 284 H N -0.455 118.740 119.070 0.208 0.000 3.046 284 H HA 0.223 4.781 4.556 0.003 0.000 0.262 284 H C 0.120 175.479 175.328 0.052 0.000 1.044 284 H CA 0.556 56.665 56.048 0.100 0.000 1.209 284 H CB 0.792 30.587 29.762 0.055 0.000 1.507 284 H HN 0.504 nan 8.280 nan 0.000 0.507 285 S N -1.033 114.750 115.700 0.137 0.000 2.596 285 S HA 0.215 4.687 4.470 0.003 0.000 0.270 285 S C 0.149 174.820 174.600 0.118 0.000 1.155 285 S CA -0.740 57.484 58.200 0.041 0.000 0.827 285 S CB 0.757 63.973 63.200 0.026 0.000 1.130 285 S HN -0.179 nan 8.310 nan 0.000 0.467 286 F N 1.272 121.170 119.950 -0.087 0.000 2.216 286 F HA 0.016 4.544 4.527 0.003 0.000 0.300 286 F C 2.722 178.401 175.800 -0.202 0.000 1.085 286 F CA 1.510 59.403 58.000 -0.179 0.000 1.326 286 F CB -1.165 37.826 39.000 -0.017 0.000 1.027 286 F HN 0.739 nan 8.300 nan 0.000 0.497 287 Q N 0.850 120.772 119.800 0.204 0.000 2.226 287 Q HA -0.170 4.171 4.340 0.003 0.000 0.204 287 Q C 1.498 177.512 176.000 0.023 0.000 0.975 287 Q CA 1.644 57.555 55.803 0.180 0.000 0.866 287 Q CB -0.486 28.333 28.738 0.136 0.000 0.915 287 Q HN 0.239 nan 8.270 nan 0.000 0.440 288 D N -1.121 119.278 120.400 -0.000 0.000 2.178 288 D HA -0.110 4.532 4.640 0.003 0.000 0.201 288 D C 1.700 177.902 176.300 -0.164 0.000 0.980 288 D CA 1.150 55.163 54.000 0.021 0.000 0.842 288 D CB 0.078 40.992 40.800 0.189 0.000 0.948 288 D HN 0.191 nan 8.370 nan 0.000 0.472 289 V N 1.062 120.673 119.914 -0.505 0.000 2.407 289 V HA -0.173 3.948 4.120 0.003 0.000 0.245 289 V C 2.186 177.961 176.094 -0.532 0.000 1.041 289 V CA 1.254 63.086 62.300 -0.781 0.000 1.040 289 V CB -0.519 30.679 31.823 -1.042 0.000 0.671 289 V HN 0.278 nan 8.190 nan 0.000 0.455 290 H N 0.099 118.959 119.070 -0.349 0.000 2.421 290 H HA -0.136 4.421 4.556 0.003 0.000 0.298 290 H C 2.138 177.022 175.328 -0.740 0.000 1.087 290 H CA 1.549 57.248 56.048 -0.582 0.000 1.330 290 H CB -0.321 29.283 29.762 -0.264 0.000 1.388 290 H HN 0.431 nan 8.280 nan 0.000 0.526 291 D N 0.788 121.041 120.400 -0.245 0.000 2.182 291 D HA -0.115 4.527 4.640 0.003 0.000 0.201 291 D C 2.404 178.619 176.300 -0.142 0.000 0.986 291 D CA 0.348 54.256 54.000 -0.154 0.000 0.847 291 D CB -0.266 40.513 40.800 -0.034 0.000 0.942 291 D HN 0.329 nan 8.370 nan 0.000 0.467 292 L N 0.027 121.167 121.223 -0.139 0.000 2.129 292 L HA -0.205 4.137 4.340 0.003 0.000 0.212 292 L C 1.850 178.857 176.870 0.229 0.000 1.087 292 L CA 1.168 56.063 54.840 0.091 0.000 0.757 292 L CB -0.526 41.573 42.059 0.067 0.000 0.896 292 L HN 0.256 nan 8.230 nan 0.000 0.434 293 Y N -2.881 117.538 120.300 0.198 0.000 2.555 293 Y HA 0.396 4.948 4.550 0.003 0.000 0.259 293 Y C 1.316 177.302 175.900 0.143 0.000 1.179 293 Y CA -0.746 57.481 58.100 0.211 0.000 1.230 293 Y CB -0.490 38.085 38.460 0.192 0.000 1.146 293 Y HN 0.074 nan 8.280 nan 0.000 0.526 294 E N 0.820 121.009 120.200 -0.019 0.000 2.933 294 E HA 0.255 4.607 4.350 0.003 0.000 0.301 294 E C 1.914 178.546 176.600 0.053 0.000 0.836 294 E CA 0.192 56.608 56.400 0.028 0.000 1.213 294 E CB -0.431 29.230 29.700 -0.064 0.000 2.349 294 E HN 0.285 nan 8.360 nan 0.000 0.558 295 G N 0.150 108.965 108.800 0.025 0.000 2.511 295 G HA2 0.285 4.247 3.960 0.003 0.000 0.217 295 G HA3 0.285 4.247 3.960 0.003 0.000 0.217 295 G C 0.685 175.621 174.900 0.060 0.000 1.133 295 G CA 0.630 45.754 45.100 0.041 0.000 0.792 295 G HN 0.589 nan 8.290 nan 0.000 0.539 296 G N -0.797 108.047 108.800 0.073 0.000 2.610 296 G HA2 -0.071 3.891 3.960 0.003 0.000 0.304 296 G HA3 -0.071 3.891 3.960 0.003 0.000 0.304 296 G C -0.715 174.246 174.900 0.102 0.000 1.309 296 G CA -0.241 44.928 45.100 0.115 0.000 0.906 296 G HN 0.828 nan 8.290 nan 0.000 0.521 297 I N -0.008 120.633 120.570 0.118 0.000 2.474 297 I HA 0.631 4.802 4.170 0.003 0.000 0.294 297 I C 0.019 176.173 176.117 0.063 0.000 1.005 297 I CA -1.168 60.187 61.300 0.092 0.000 1.113 297 I CB 1.287 39.361 38.000 0.124 0.000 1.289 297 I HN 0.529 nan 8.210 nan 0.000 0.436 298 K N 7.891 128.313 120.400 0.037 0.000 2.227 298 K HA 0.589 4.910 4.320 0.003 0.000 0.280 298 K C -1.214 175.405 176.600 0.032 0.000 1.041 298 K CA -0.420 55.891 56.287 0.040 0.000 0.905 298 K CB 1.497 33.997 32.500 0.000 0.000 1.068 298 K HN 0.515 nan 8.250 nan 0.000 0.470 299 L N 3.381 124.653 121.223 0.083 0.000 2.327 299 L HA 0.493 4.835 4.340 0.003 0.000 0.258 299 L C -2.433 174.523 176.870 0.142 0.000 1.024 299 L CA -2.799 52.087 54.840 0.076 0.000 0.825 299 L CB 1.954 44.068 42.059 0.092 0.000 1.386 299 L HN 0.330 nan 8.230 nan 0.000 0.417 300 P HA 0.097 nan 4.420 nan 0.000 0.265 300 P C 0.053 177.390 177.300 0.061 0.000 1.187 300 P CA 0.082 63.254 63.100 0.120 0.000 0.766 300 P CB 0.560 32.295 31.700 0.058 0.000 0.820 301 R N 2.536 123.037 120.500 0.003 0.000 2.113 301 R HA -0.199 4.143 4.340 0.003 0.000 0.244 301 R C 1.714 177.952 176.300 -0.103 0.000 1.142 301 R CA 2.179 58.158 56.100 -0.202 0.000 0.953 301 R CB -0.706 29.465 30.300 -0.215 0.000 0.860 301 R HN 0.679 nan 8.270 nan 0.000 0.438 302 D N 0.145 120.516 120.400 -0.048 0.000 2.263 302 D HA -0.114 4.528 4.640 0.003 0.000 0.208 302 D C 1.688 177.964 176.300 -0.040 0.000 0.971 302 D CA 0.996 54.973 54.000 -0.039 0.000 0.867 302 D CB -0.121 40.668 40.800 -0.019 0.000 0.929 302 D HN 0.142 nan 8.370 nan 0.000 0.492 303 V N 1.222 121.119 119.914 -0.029 0.000 2.407 303 V HA -0.165 3.957 4.120 0.003 0.000 0.245 303 V C 2.647 178.698 176.094 -0.071 0.000 1.041 303 V CA 0.661 62.941 62.300 -0.034 0.000 1.040 303 V CB -0.217 31.623 31.823 0.028 0.000 0.671 303 V HN 0.152 nan 8.190 nan 0.000 0.455 304 I N 0.421 120.951 120.570 -0.067 0.000 2.226 304 I HA -0.153 4.019 4.170 0.003 0.000 0.245 304 I C 2.481 178.549 176.117 -0.082 0.000 1.100 304 I CA 1.535 62.784 61.300 -0.085 0.000 1.374 304 I CB -1.331 36.610 38.000 -0.097 0.000 1.057 304 I HN 0.282 nan 8.210 nan 0.000 0.413 305 S N 0.257 115.910 115.700 -0.079 0.000 2.447 305 S HA -0.103 4.369 4.470 0.003 0.000 0.233 305 S C 1.952 176.518 174.600 -0.057 0.000 1.006 305 S CA 1.285 59.446 58.200 -0.064 0.000 0.957 305 S CB -0.217 62.946 63.200 -0.061 0.000 0.773 305 S HN 0.485 nan 8.310 nan 0.000 0.507 306 T N 1.815 116.328 114.554 -0.068 0.000 3.014 306 T HA 0.229 4.580 4.350 0.003 0.000 0.263 306 T C 1.608 176.261 174.700 -0.079 0.000 1.078 306 T CA 0.603 62.661 62.100 -0.071 0.000 1.135 306 T CB -0.088 68.729 68.868 -0.084 0.000 0.895 306 T HN 0.325 nan 8.240 nan 0.000 0.480 307 I N 0.258 120.773 120.570 -0.092 0.000 2.512 307 I HA 0.128 4.300 4.170 0.003 0.000 0.247 307 I C 2.210 178.318 176.117 -0.015 0.000 1.094 307 I CA 0.483 61.739 61.300 -0.073 0.000 1.427 307 I CB -0.170 37.753 38.000 -0.128 0.000 1.149 307 I HN 0.108 nan 8.210 nan 0.000 0.438 308 I N 2.432 122.990 120.570 -0.020 0.000 2.381 308 I HA -0.218 3.953 4.170 0.003 0.000 0.255 308 I C -0.536 175.580 176.117 -0.001 0.000 1.140 308 I CA 1.535 62.835 61.300 -0.000 0.000 1.404 308 I CB -0.513 37.478 38.000 -0.016 0.000 1.075 308 I HN 0.185 nan 8.210 nan 0.000 0.433 309 P HA 0.110 nan 4.420 nan 0.000 0.267 309 P C 0.173 177.469 177.300 -0.007 0.000 1.289 309 P CA 0.186 63.281 63.100 -0.009 0.000 0.866 309 P CB 0.162 31.854 31.700 -0.013 0.000 1.309 310 L N 3.463 124.682 121.223 -0.007 0.000 2.367 310 L HA 0.287 4.628 4.340 0.003 0.000 0.275 310 L C -1.854 175.012 176.870 -0.008 0.000 1.129 310 L CA -2.138 52.697 54.840 -0.009 0.000 0.839 310 L CB 0.212 42.264 42.059 -0.013 0.000 1.133 310 L HN -0.101 nan 8.230 nan 0.000 0.453 311 P HA 0.045 nan 4.420 nan 0.000 0.269 311 P C 0.791 178.079 177.300 -0.021 0.000 1.209 311 P CA 0.012 63.105 63.100 -0.011 0.000 0.776 311 P CB 1.631 33.328 31.700 -0.004 0.000 0.876 312 V N 1.584 121.479 119.914 -0.032 0.000 0.516 312 V HA -0.350 3.771 4.120 0.003 0.000 0.092 312 V C 2.234 178.287 176.094 -0.067 0.000 2.243 312 V CA 2.303 64.575 62.300 -0.048 0.000 3.573 312 V CB -2.037 29.762 31.823 -0.041 0.000 0.862 312 V HN 0.470 nan 8.190 nan 0.000 0.902 313 I N 1.375 121.918 120.570 -0.046 0.000 2.208 313 I HA -0.227 3.945 4.170 0.003 0.000 0.245 313 I C 2.569 178.656 176.117 -0.050 0.000 1.097 313 I CA 2.779 64.052 61.300 -0.044 0.000 1.363 313 I CB -1.205 36.806 38.000 0.017 0.000 1.051 313 I HN 0.836 nan 8.210 nan 0.000 0.413 314 K N 0.796 121.189 120.400 -0.012 0.000 2.360 314 K HA -0.140 4.181 4.320 0.003 0.000 0.201 314 K C 1.255 177.831 176.600 -0.040 0.000 1.046 314 K CA 1.084 57.378 56.287 0.012 0.000 0.945 314 K CB -0.175 32.331 32.500 0.010 0.000 0.750 314 K HN 0.267 nan 8.250 nan 0.000 0.464 315 E N 1.134 121.278 120.200 -0.094 0.000 2.435 315 E HA 0.012 4.364 4.350 0.003 0.000 0.195 315 E C 1.826 178.299 176.600 -0.213 0.000 1.029 315 E CA 0.401 56.735 56.400 -0.111 0.000 0.865 315 E CB 0.023 29.670 29.700 -0.087 0.000 0.833 315 E HN 0.432 nan 8.360 nan 0.000 0.510 316 L N -0.407 120.576 121.223 -0.398 0.000 2.395 316 L HA -0.011 4.331 4.340 0.003 0.000 0.218 316 L C 0.082 176.433 176.870 -0.865 0.000 1.130 316 L CA 0.698 55.095 54.840 -0.738 0.000 0.826 316 L CB -0.101 41.264 42.059 -1.158 0.000 0.941 316 L HN 0.040 nan 8.230 nan 0.000 0.451 317 Y N -1.817 118.385 120.300 -0.164 0.000 2.544 317 Y HA 0.496 5.048 4.550 0.003 0.000 0.342 317 Y C -0.083 175.759 175.900 -0.098 0.000 1.062 317 Y CA -1.369 56.614 58.100 -0.196 0.000 1.023 317 Y CB 0.938 39.223 38.460 -0.291 0.000 1.308 317 Y HN -0.221 nan 8.280 nan 0.000 0.457 318 R N 0.616 121.177 120.500 0.102 0.000 2.500 318 R HA 0.709 5.051 4.340 0.003 0.000 0.275 318 R C -0.480 175.862 176.300 0.069 0.000 1.051 318 R CA -0.484 55.658 56.100 0.070 0.000 1.088 318 R CB 1.704 32.041 30.300 0.063 0.000 1.063 318 R HN 0.794 nan 8.270 nan 0.000 0.511 319 T N -0.683 113.900 114.554 0.048 0.000 2.868 319 T HA 0.087 4.438 4.350 0.003 0.000 0.306 319 T C -0.491 174.225 174.700 0.026 0.000 1.224 319 T CA -0.805 61.314 62.100 0.032 0.000 1.012 319 T CB 1.284 70.162 68.868 0.017 0.000 1.221 319 T HN 0.710 nan 8.240 nan 0.000 0.499 320 D N 0.436 120.850 120.400 0.024 0.000 2.339 320 D HA 0.234 4.876 4.640 0.003 0.000 0.217 320 D C 1.486 177.789 176.300 0.006 0.000 1.050 320 D CA 0.828 54.842 54.000 0.023 0.000 0.856 320 D CB -0.313 40.510 40.800 0.039 0.000 0.922 320 D HN 1.160 nan 8.370 nan 0.000 0.518 321 G N 0.329 109.124 108.800 -0.008 0.000 2.179 321 G HA2 -0.370 3.591 3.960 0.003 0.000 0.260 321 G HA3 -0.370 3.591 3.960 0.003 0.000 0.260 321 G C 0.936 175.794 174.900 -0.069 0.000 0.977 321 G CA 0.729 45.812 45.100 -0.029 0.000 0.641 321 G HN 0.483 nan 8.290 nan 0.000 0.533 322 Q N -2.385 117.366 119.800 -0.082 0.000 2.652 322 Q HA 0.305 4.646 4.340 0.003 0.000 0.211 322 Q C 1.631 177.381 176.000 -0.418 0.000 0.858 322 Q CA 0.863 56.534 55.803 -0.220 0.000 0.895 322 Q CB 0.525 29.196 28.738 -0.111 0.000 1.194 322 Q HN 0.646 nan 8.270 nan 0.000 0.645 323 H N -1.147 117.919 119.070 -0.006 0.000 3.771 323 H HA 0.362 4.920 4.556 0.003 0.000 0.260 323 H C -0.284 175.039 175.328 -0.007 0.000 1.158 323 H CA -0.185 55.858 56.048 -0.008 0.000 1.170 323 H CB 1.513 31.271 29.762 -0.007 0.000 1.539 323 H HN -0.003 nan 8.280 nan 0.000 0.634 324 I N 2.257 122.886 120.570 0.098 0.000 2.385 324 I HA 0.235 4.407 4.170 0.003 0.000 0.294 324 I C -0.758 175.370 176.117 0.019 0.000 0.988 324 I CA -0.426 60.912 61.300 0.064 0.000 1.265 324 I CB 1.778 39.817 38.000 0.065 0.000 1.388 324 I HN -0.036 nan 8.210 nan 0.000 0.480 325 L N 6.610 127.836 121.223 0.005 0.000 2.362 325 L HA 0.523 4.864 4.340 0.003 0.000 0.275 325 L C -0.482 176.405 176.870 0.029 0.000 0.998 325 L CA -0.687 54.111 54.840 -0.071 0.000 0.820 325 L CB 1.996 43.888 42.059 -0.279 0.000 1.270 325 L HN 0.527 nan 8.230 nan 0.000 0.415 326 K N 3.077 123.518 120.400 0.069 0.000 2.463 326 K HA 0.524 4.845 4.320 0.003 0.000 0.255 326 K C -1.173 175.557 176.600 0.216 0.000 0.942 326 K CA -0.524 55.871 56.287 0.179 0.000 0.814 326 K CB 1.365 33.954 32.500 0.148 0.000 1.122 326 K HN 0.190 nan 8.250 nan 0.000 0.425 327 F N 4.369 124.500 119.950 0.301 0.000 2.380 327 F HA 0.329 4.858 4.527 0.003 0.000 0.325 327 F C -1.509 174.451 175.800 0.266 0.000 1.136 327 F CA -1.782 56.411 58.000 0.321 0.000 1.171 327 F CB 0.496 39.739 39.000 0.406 0.000 1.230 327 F HN 0.446 nan 8.300 nan 0.000 0.554 328 P HA -0.004 nan 4.420 nan 0.000 0.277 328 P C -1.283 176.171 177.300 0.256 0.000 1.240 328 P CA -0.569 62.659 63.100 0.214 0.000 0.798 328 P CB 0.726 32.447 31.700 0.036 0.000 0.979 329 Q N 2.823 122.668 119.800 0.074 0.000 2.271 329 Q HA 0.147 4.488 4.340 0.003 0.000 0.273 329 Q C -2.046 173.805 176.000 -0.247 0.000 1.051 329 Q CA -1.554 54.099 55.803 -0.250 0.000 0.901 329 Q CB -0.119 28.510 28.738 -0.181 0.000 1.174 329 Q HN 0.286 nan 8.270 nan 0.000 0.385 330 P HA -0.008 nan 4.420 nan 0.000 0.268 330 P C -0.410 176.728 177.300 -0.271 0.000 1.205 330 P CA 0.073 63.015 63.100 -0.263 0.000 0.771 330 P CB 0.636 32.047 31.700 -0.483 0.000 0.858 331 H N 0.891 119.778 119.070 -0.305 0.000 2.390 331 H HA -0.142 4.415 4.556 0.003 0.000 0.298 331 H C 1.785 176.890 175.328 -0.372 0.000 1.106 331 H CA 1.519 57.339 56.048 -0.380 0.000 1.297 331 H CB -0.672 28.705 29.762 -0.642 0.000 1.375 331 H HN 0.137 nan 8.280 nan 0.000 0.509 332 V N 1.091 120.847 119.914 -0.264 0.000 2.867 332 V HA -0.132 3.990 4.120 0.003 0.000 0.260 332 V C 1.619 177.674 176.094 -0.065 0.000 1.099 332 V CA 1.686 63.887 62.300 -0.165 0.000 1.122 332 V CB -0.354 31.418 31.823 -0.085 0.000 0.708 332 V HN 0.488 nan 8.190 nan 0.000 0.490 333 V N -3.690 116.150 119.914 -0.122 0.000 3.427 333 V HA 0.222 4.343 4.120 0.003 0.000 0.305 333 V C 1.704 177.750 176.094 -0.080 0.000 1.412 333 V CA 0.481 62.746 62.300 -0.059 0.000 1.086 333 V CB 0.059 31.846 31.823 -0.061 0.000 0.964 333 V HN 0.456 nan 8.190 nan 0.000 0.439 334 Q N 0.378 120.108 119.800 -0.117 0.000 2.291 334 Q HA -0.041 4.301 4.340 0.003 0.000 0.206 334 Q C 1.947 177.918 176.000 -0.049 0.000 0.976 334 Q CA 1.935 57.676 55.803 -0.103 0.000 0.875 334 Q CB 0.247 28.897 28.738 -0.146 0.000 0.927 334 Q HN 0.703 nan 8.270 nan 0.000 0.450 335 V N -1.644 118.254 119.914 -0.027 0.000 3.013 335 V HA 0.083 4.205 4.120 0.003 0.000 0.238 335 V C 0.467 176.564 176.094 0.006 0.000 1.161 335 V CA 0.359 62.656 62.300 -0.006 0.000 1.170 335 V CB 1.472 33.297 31.823 0.004 0.000 0.917 335 V HN -0.027 nan 8.190 nan 0.000 0.478 336 S N 0.188 115.898 115.700 0.017 0.000 2.647 336 S HA 0.302 4.774 4.470 0.003 0.000 0.300 336 S C 0.524 175.158 174.600 0.057 0.000 1.129 336 S CA -0.479 57.737 58.200 0.027 0.000 1.029 336 S CB 1.779 64.995 63.200 0.027 0.000 1.007 336 S HN 0.506 nan 8.310 nan 0.000 0.484 337 Q N 3.223 123.052 119.800 0.048 0.000 2.435 337 Q HA 0.062 4.404 4.340 0.003 0.000 0.207 337 Q C 1.104 177.244 176.000 0.234 0.000 0.956 337 Q CA 1.346 57.212 55.803 0.105 0.000 0.917 337 Q CB -0.090 28.604 28.738 -0.073 0.000 0.997 337 Q HN 0.630 nan 8.270 nan 0.000 0.497 338 S N -1.152 114.599 115.700 0.086 0.000 2.512 338 S HA 0.393 4.865 4.470 0.003 0.000 0.216 338 S C 1.911 176.357 174.600 -0.256 0.000 1.006 338 S CA 0.003 58.154 58.200 -0.081 0.000 0.915 338 S CB 0.442 63.597 63.200 -0.075 0.000 0.824 338 S HN 0.409 nan 8.310 nan 0.000 0.497 339 A N 2.771 125.560 122.820 -0.052 0.000 2.024 339 A HA -0.046 4.276 4.320 0.003 0.000 0.220 339 A C 1.989 179.561 177.584 -0.020 0.000 1.164 339 A CA 1.315 53.331 52.037 -0.034 0.000 0.643 339 A CB -1.413 17.615 19.000 0.047 0.000 0.806 339 A HN 0.952 nan 8.150 nan 0.000 0.451 340 W N -0.597 120.717 121.300 0.024 0.000 2.364 340 W HA -0.151 4.510 4.660 0.003 0.000 0.281 340 W C 1.374 177.905 176.519 0.021 0.000 1.219 340 W CA 1.203 58.564 57.345 0.026 0.000 1.220 340 W CB -1.035 28.418 29.460 -0.012 0.000 1.127 340 W HN 0.305 nan 8.180 nan 0.000 0.556 341 M N 1.673 120.689 119.600 -0.974 0.000 2.619 341 M HA -0.007 4.475 4.480 0.003 0.000 0.251 341 M C 1.015 177.116 176.300 -0.332 0.000 1.106 341 M CA 1.208 55.946 55.300 -0.935 0.000 1.086 341 M CB -0.673 31.208 32.600 -1.198 0.000 1.465 341 M HN -0.122 nan 8.290 nan 0.000 0.506 342 T N -2.200 112.253 114.554 -0.169 0.000 2.907 342 T HA 0.086 4.438 4.350 0.003 0.000 0.298 342 T C 0.552 175.309 174.700 0.096 0.000 1.017 342 T CA -0.665 61.418 62.100 -0.028 0.000 1.118 342 T CB 1.209 70.075 68.868 -0.004 0.000 0.948 342 T HN 0.036 nan 8.240 nan 0.000 0.531 343 D N 1.553 122.042 120.400 0.149 0.000 2.178 343 D HA -0.065 4.577 4.640 0.003 0.000 0.201 343 D C 1.901 178.356 176.300 0.259 0.000 0.980 343 D CA 1.190 55.357 54.000 0.278 0.000 0.842 343 D CB -0.086 40.883 40.800 0.281 0.000 0.948 343 D HN 0.750 nan 8.370 nan 0.000 0.472 344 E N 0.355 120.646 120.200 0.153 0.000 2.085 344 E HA -0.182 4.169 4.350 0.003 0.000 0.194 344 E C 1.902 178.572 176.600 0.116 0.000 0.994 344 E CA 1.076 57.545 56.400 0.114 0.000 0.801 344 E CB -0.107 29.636 29.700 0.072 0.000 0.743 344 E HN 0.194 nan 8.360 nan 0.000 0.453 345 E N -0.237 120.045 120.200 0.135 0.000 2.107 345 E HA -0.123 4.229 4.350 0.003 0.000 0.191 345 E C 1.644 178.337 176.600 0.156 0.000 0.982 345 E CA 0.558 57.041 56.400 0.137 0.000 0.809 345 E CB -0.332 29.464 29.700 0.159 0.000 0.756 345 E HN 0.272 nan 8.360 nan 0.000 0.459 346 F N 0.841 120.826 119.950 0.057 0.000 2.091 346 F HA -0.180 4.348 4.527 0.003 0.000 0.299 346 F C 1.991 177.800 175.800 0.016 0.000 1.103 346 F CA 2.085 60.112 58.000 0.045 0.000 1.228 346 F CB -0.802 38.234 39.000 0.059 0.000 0.984 346 F HN 0.099 nan 8.300 nan 0.000 0.477 347 A N 0.437 123.222 122.820 -0.059 0.000 1.897 347 A HA -0.121 4.201 4.320 0.003 0.000 0.215 347 A C 2.421 179.889 177.584 -0.194 0.000 1.181 347 A CA 1.325 53.241 52.037 -0.202 0.000 0.620 347 A CB -0.847 18.143 19.000 -0.017 0.000 0.821 347 A HN 0.459 nan 8.150 nan 0.000 0.443 348 R N 0.075 120.516 120.500 -0.098 0.000 2.105 348 R HA -0.150 4.192 4.340 0.003 0.000 0.239 348 R C 1.680 177.893 176.300 -0.145 0.000 1.135 348 R CA 1.679 57.718 56.100 -0.102 0.000 0.967 348 R CB -0.234 30.056 30.300 -0.016 0.000 0.861 348 R HN 0.663 nan 8.270 nan 0.000 0.442 349 E N -0.158 119.941 120.200 -0.168 0.000 2.409 349 E HA -0.149 4.203 4.350 0.003 0.000 0.198 349 E C 1.747 178.192 176.600 -0.259 0.000 1.024 349 E CA 0.856 57.102 56.400 -0.257 0.000 0.861 349 E CB 0.027 29.537 29.700 -0.317 0.000 0.788 349 E HN 0.453 nan 8.360 nan 0.000 0.521 350 M N 0.114 119.551 119.600 -0.272 0.000 2.476 350 M HA -0.015 4.467 4.480 0.003 0.000 0.262 350 M C 2.017 178.165 176.300 -0.254 0.000 1.079 350 M CA 1.080 56.225 55.300 -0.258 0.000 1.104 350 M CB 0.046 32.464 32.600 -0.303 0.000 1.409 350 M HN 0.196 nan 8.290 nan 0.000 0.467 351 I N -4.771 115.631 120.570 -0.279 0.000 4.288 351 I HA 0.435 4.607 4.170 0.003 0.000 0.331 351 I C 1.122 177.191 176.117 -0.080 0.000 1.322 351 I CA -0.080 61.044 61.300 -0.293 0.000 1.149 351 I CB 0.356 37.966 38.000 -0.649 0.000 1.112 351 I HN -0.016 nan 8.210 nan 0.000 0.403 352 A N 1.187 123.926 122.820 -0.135 0.000 2.622 352 A HA 0.723 5.045 4.320 0.003 0.000 0.283 352 A C 0.703 178.345 177.584 0.097 0.000 0.998 352 A CA 0.126 52.059 52.037 -0.175 0.000 0.985 352 A CB -0.391 18.489 19.000 -0.199 0.000 1.236 352 A HN 0.381 nan 8.150 nan 0.000 0.559 353 G N -1.178 107.553 108.800 -0.116 0.000 2.702 353 G HA2 0.404 4.365 3.960 0.003 0.000 0.254 353 G HA3 0.404 4.365 3.960 0.003 0.000 0.254 353 G C 0.985 175.778 174.900 -0.177 0.000 1.380 353 G CA 0.469 45.278 45.100 -0.486 0.000 1.042 353 G HN 0.430 nan 8.290 nan 0.000 0.557 354 V N -0.100 119.639 119.914 -0.292 0.000 2.594 354 V HA 0.008 4.130 4.120 0.003 0.000 0.253 354 V C 0.966 176.968 176.094 -0.153 0.000 1.069 354 V CA 1.780 64.012 62.300 -0.114 0.000 1.082 354 V CB -0.445 31.236 31.823 -0.236 0.000 0.680 354 V HN 0.634 nan 8.190 nan 0.000 0.469 355 N N 0.182 118.809 118.700 -0.121 0.000 2.791 355 N HA 0.276 5.018 4.740 0.003 0.000 0.265 355 N C -2.456 173.041 175.510 -0.021 0.000 1.580 355 N CA -0.964 52.118 53.050 0.054 0.000 0.809 355 N CB 1.527 40.105 38.487 0.151 0.000 1.178 355 N HN 0.289 nan 8.380 nan 0.000 0.499 356 P HA 0.171 nan 4.420 nan 0.000 0.253 356 P C 0.440 177.722 177.300 -0.029 0.000 1.459 356 P CA 0.017 63.059 63.100 -0.095 0.000 0.908 356 P CB -0.687 30.957 31.700 -0.095 0.000 1.470 357 C N -3.198 116.083 119.300 -0.031 0.000 3.101 357 C HA 0.486 4.947 4.460 0.003 0.000 0.253 357 C C 1.336 176.394 174.990 0.112 0.000 1.754 357 C CA -0.459 58.604 59.018 0.075 0.000 1.756 357 C CB -1.054 26.684 27.740 -0.003 0.000 3.227 357 C HN 0.038 nan 8.230 nan 0.000 0.483 358 V N 0.595 120.546 119.914 0.062 0.000 3.307 358 V HA 0.227 4.348 4.120 0.003 0.000 0.244 358 V C 1.216 177.262 176.094 -0.079 0.000 1.196 358 V CA 0.221 62.512 62.300 -0.014 0.000 1.132 358 V CB -0.057 31.727 31.823 -0.065 0.000 0.875 358 V HN 0.675 nan 8.190 nan 0.000 0.468 359 I N 1.902 122.432 120.570 -0.068 0.000 2.880 359 I HA 0.017 4.188 4.170 0.003 0.000 0.296 359 I C 0.390 176.520 176.117 0.021 0.000 1.220 359 I CA 0.749 62.007 61.300 -0.071 0.000 1.435 359 I CB 0.230 38.144 38.000 -0.144 0.000 1.339 359 I HN 0.244 nan 8.210 nan 0.000 0.583 360 R N 4.386 124.924 120.500 0.063 0.000 2.795 360 R HA 0.483 4.825 4.340 0.003 0.000 0.275 360 R C -0.410 176.005 176.300 0.192 0.000 0.981 360 R CA -0.774 55.391 56.100 0.108 0.000 0.917 360 R CB 1.788 32.097 30.300 0.014 0.000 1.202 360 R HN 0.793 nan 8.270 nan 0.000 0.469 361 G N 1.092 109.968 108.800 0.126 0.000 2.483 361 G HA2 0.340 4.302 3.960 0.003 0.000 0.248 361 G HA3 0.340 4.302 3.960 0.003 0.000 0.248 361 G C -1.118 173.666 174.900 -0.193 0.000 1.248 361 G CA -0.226 44.749 45.100 -0.208 0.000 0.838 361 G HN 0.284 nan 8.290 nan 0.000 0.566 362 L N 0.750 121.797 121.223 -0.292 0.000 2.316 362 L HA 0.458 4.799 4.340 0.003 0.000 0.280 362 L C 0.674 177.469 176.870 -0.125 0.000 1.006 362 L CA -0.281 54.482 54.840 -0.129 0.000 0.836 362 L CB 1.422 43.456 42.059 -0.042 0.000 1.221 362 L HN 0.707 nan 8.230 nan 0.000 0.418 363 E N 3.659 123.813 120.200 -0.076 0.000 2.481 363 E HA 0.106 4.458 4.350 0.003 0.000 0.198 363 E C -0.532 176.064 176.600 -0.007 0.000 1.027 363 E CA 0.095 56.463 56.400 -0.054 0.000 0.900 363 E CB 0.688 30.355 29.700 -0.055 0.000 0.993 363 E HN 0.771 nan 8.360 nan 0.000 0.482 364 E N -0.150 120.062 120.200 0.019 0.000 2.433 364 E HA 0.516 4.868 4.350 0.003 0.000 0.278 364 E C -1.331 175.340 176.600 0.118 0.000 0.976 364 E CA -0.936 55.493 56.400 0.049 0.000 0.793 364 E CB 1.704 31.406 29.700 0.003 0.000 1.311 364 E HN -0.096 nan 8.360 nan 0.000 0.460 365 F N 1.490 121.425 119.950 -0.025 0.000 2.596 365 F HA 0.457 4.986 4.527 0.003 0.000 0.311 365 F C -2.472 173.318 175.800 -0.016 0.000 1.116 365 F CA -1.487 56.501 58.000 -0.020 0.000 0.957 365 F CB 1.831 40.823 39.000 -0.014 0.000 1.250 365 F HN 0.469 nan 8.300 nan 0.000 0.444 366 P HA 0.343 nan 4.420 nan 0.000 0.274 366 P C -2.921 173.987 177.300 -0.653 0.000 1.256 366 P CA -1.209 61.097 63.100 -1.324 0.000 0.795 366 P CB 0.289 31.482 31.700 -0.844 0.000 1.038 367 P HA 0.169 nan 4.420 nan 0.000 0.271 367 P C -0.438 176.715 177.300 -0.244 0.000 1.218 367 P CA 0.127 63.058 63.100 -0.282 0.000 0.780 367 P CB 0.963 32.539 31.700 -0.205 0.000 0.901 368 K N 0.658 120.957 120.400 -0.169 0.000 2.185 368 K HA 0.573 4.895 4.320 0.003 0.000 0.240 368 K C -0.021 176.502 176.600 -0.130 0.000 0.983 368 K CA -0.747 55.456 56.287 -0.140 0.000 0.873 368 K CB 1.482 33.928 32.500 -0.089 0.000 1.118 368 K HN 0.352 nan 8.250 nan 0.000 0.441 369 S N 0.306 115.946 115.700 -0.101 0.000 2.513 369 S HA 0.297 4.769 4.470 0.003 0.000 0.299 369 S C -0.267 174.348 174.600 0.025 0.000 1.087 369 S CA -0.761 57.416 58.200 -0.039 0.000 1.012 369 S CB 0.749 63.927 63.200 -0.037 0.000 1.044 369 S HN 0.562 nan 8.310 nan 0.000 0.485 370 N N 2.761 121.495 118.700 0.058 0.000 2.230 370 N HA 0.252 4.994 4.740 0.003 0.000 0.202 370 N C -0.240 175.328 175.510 0.097 0.000 1.119 370 N CA 0.083 53.171 53.050 0.064 0.000 0.851 370 N CB -0.010 38.511 38.487 0.055 0.000 0.990 370 N HN 0.539 nan 8.380 nan 0.000 0.497 371 L N 0.477 121.778 121.223 0.131 0.000 2.418 371 L HA 0.176 4.517 4.340 0.003 0.000 0.265 371 L C 0.620 177.624 176.870 0.223 0.000 1.143 371 L CA -0.652 54.303 54.840 0.191 0.000 0.809 371 L CB 0.526 42.682 42.059 0.162 0.000 1.124 371 L HN -0.110 nan 8.230 nan 0.000 0.456 372 D N 3.514 124.070 120.400 0.260 0.000 2.346 372 D HA 0.056 4.698 4.640 0.003 0.000 0.260 372 D C -1.421 174.973 176.300 0.156 0.000 1.252 372 D CA -1.797 52.295 54.000 0.152 0.000 0.895 372 D CB 1.148 41.987 40.800 0.065 0.000 1.097 372 D HN 0.218 nan 8.370 nan 0.000 0.489 373 P HA -0.119 nan 4.420 nan 0.000 0.222 373 P C 0.957 178.286 177.300 0.049 0.000 1.147 373 P CA 0.587 63.754 63.100 0.113 0.000 0.790 373 P CB 0.227 31.979 31.700 0.088 0.000 0.780 374 A N -0.130 122.694 122.820 0.006 0.000 1.972 374 A HA -0.115 4.206 4.320 0.003 0.000 0.219 374 A C 2.255 179.783 177.584 -0.092 0.000 1.169 374 A CA 1.227 53.245 52.037 -0.031 0.000 0.635 374 A CB -1.259 17.721 19.000 -0.034 0.000 0.810 374 A HN 0.176 nan 8.150 nan 0.000 0.446 375 I N -3.026 117.429 120.570 -0.192 0.000 2.628 375 I HA -0.065 4.106 4.170 0.003 0.000 0.255 375 I C 1.542 177.368 176.117 -0.486 0.000 1.119 375 I CA 0.850 61.887 61.300 -0.437 0.000 1.448 375 I CB 0.013 37.526 38.000 -0.812 0.000 1.133 375 I HN 0.350 nan 8.210 nan 0.000 0.438 376 Y N 1.008 121.323 120.300 0.024 0.000 2.458 376 Y HA 0.480 5.032 4.550 0.003 0.000 0.256 376 Y C 1.147 177.096 175.900 0.081 0.000 1.159 376 Y CA -0.002 58.117 58.100 0.032 0.000 1.261 376 Y CB -0.027 38.451 38.460 0.030 0.000 1.119 376 Y HN 0.158 nan 8.280 nan 0.000 0.524 377 G N 0.587 109.493 108.800 0.177 0.000 2.712 377 G HA2 -0.231 3.731 3.960 0.003 0.000 0.683 377 G HA3 -0.231 3.731 3.960 0.003 0.000 0.683 377 G C -1.065 173.936 174.900 0.169 0.000 1.320 377 G CA -0.722 44.479 45.100 0.168 0.000 0.847 377 G HN 0.142 nan 8.290 nan 0.000 0.553 378 D N 0.173 120.646 120.400 0.122 0.000 2.581 378 D HA 0.135 4.776 4.640 0.003 0.000 0.238 378 D C 1.428 177.805 176.300 0.129 0.000 1.145 378 D CA 0.365 54.423 54.000 0.098 0.000 0.866 378 D CB 0.636 41.472 40.800 0.060 0.000 1.151 378 D HN 0.357 nan 8.370 nan 0.000 0.500 379 Q N 1.876 121.746 119.800 0.117 0.000 2.246 379 Q HA 0.095 4.437 4.340 0.003 0.000 0.202 379 Q C -0.036 175.975 176.000 0.018 0.000 0.883 379 Q CA -0.064 55.814 55.803 0.124 0.000 0.952 379 Q CB 0.155 28.985 28.738 0.153 0.000 1.078 379 Q HN 0.322 nan 8.270 nan 0.000 0.493 380 S N 1.092 116.798 115.700 0.009 0.000 2.549 380 S HA 0.074 4.545 4.470 0.003 0.000 0.283 380 S C 0.370 174.936 174.600 -0.056 0.000 1.320 380 S CA -0.066 58.110 58.200 -0.040 0.000 1.058 380 S CB 0.998 64.184 63.200 -0.023 0.000 0.882 380 S HN 0.222 nan 8.310 nan 0.000 0.498 381 S N 1.633 117.261 115.700 -0.120 0.000 2.572 381 S HA 0.119 4.590 4.470 0.003 0.000 0.279 381 S C 0.846 175.411 174.600 -0.059 0.000 1.341 381 S CA -0.389 57.741 58.200 -0.117 0.000 1.043 381 S CB 0.252 63.323 63.200 -0.215 0.000 0.887 381 S HN 0.552 nan 8.310 nan 0.000 0.516 382 K N 3.168 123.562 120.400 -0.009 0.000 2.374 382 K HA 0.291 4.613 4.320 0.003 0.000 0.196 382 K C 0.010 176.640 176.600 0.049 0.000 1.023 382 K CA 0.105 56.405 56.287 0.022 0.000 1.103 382 K CB -0.180 32.344 32.500 0.039 0.000 0.848 382 K HN 0.621 nan 8.250 nan 0.000 0.528 383 I N 2.857 123.461 120.570 0.058 0.000 2.471 383 I HA -0.034 4.138 4.170 0.003 0.000 0.286 383 I C 0.710 176.972 176.117 0.241 0.000 1.079 383 I CA -0.025 61.369 61.300 0.156 0.000 1.398 383 I CB 0.602 38.746 38.000 0.240 0.000 1.403 383 I HN -0.011 nan 8.210 nan 0.000 0.530 384 T N 2.595 117.272 114.554 0.204 0.000 2.875 384 T HA 0.509 4.861 4.350 0.003 0.000 0.284 384 T C 0.969 175.770 174.700 0.168 0.000 0.995 384 T CA -0.493 61.730 62.100 0.205 0.000 1.060 384 T CB 1.990 70.916 68.868 0.097 0.000 0.967 384 T HN 0.641 nan 8.240 nan 0.000 0.476 385 A N 2.196 125.104 122.820 0.146 0.000 1.902 385 A HA -0.061 4.261 4.320 0.003 0.000 0.217 385 A C 1.922 179.422 177.584 -0.139 0.000 1.181 385 A CA 1.358 53.281 52.037 -0.191 0.000 0.623 385 A CB -0.754 18.118 19.000 -0.213 0.000 0.818 385 A HN 0.894 nan 8.150 nan 0.000 0.443 386 D N 0.041 120.407 120.400 -0.056 0.000 2.350 386 D HA -0.083 4.558 4.640 0.003 0.000 0.216 386 D C 2.049 178.313 176.300 -0.060 0.000 0.968 386 D CA 1.348 55.313 54.000 -0.059 0.000 0.894 386 D CB -0.126 40.656 40.800 -0.030 0.000 0.909 386 D HN 0.622 nan 8.370 nan 0.000 0.520 387 S N -0.421 115.250 115.700 -0.047 0.000 2.528 387 S HA 0.046 4.518 4.470 0.003 0.000 0.219 387 S C 0.966 175.521 174.600 -0.075 0.000 0.985 387 S CA -0.274 57.899 58.200 -0.045 0.000 0.914 387 S CB -0.090 63.103 63.200 -0.011 0.000 0.776 387 S HN 0.082 nan 8.310 nan 0.000 0.526 388 L N 2.239 123.397 121.223 -0.109 0.000 2.350 388 L HA 0.450 4.792 4.340 0.003 0.000 0.275 388 L C -0.072 176.696 176.870 -0.170 0.000 1.099 388 L CA -0.583 54.173 54.840 -0.140 0.000 0.808 388 L CB 0.560 42.508 42.059 -0.185 0.000 1.149 388 L HN 0.104 nan 8.230 nan 0.000 0.442 389 D N 4.049 124.346 120.400 -0.172 0.000 2.456 389 D HA 0.221 4.862 4.640 0.003 0.000 0.219 389 D C 0.040 176.164 176.300 -0.293 0.000 1.126 389 D CA -0.174 53.714 54.000 -0.187 0.000 0.890 389 D CB 0.847 41.560 40.800 -0.144 0.000 1.025 389 D HN 0.403 nan 8.370 nan 0.000 0.511 390 L N 2.961 123.929 121.223 -0.426 0.000 2.978 390 L HA 0.176 4.518 4.340 0.003 0.000 0.239 390 L C 0.111 176.555 176.870 -0.710 0.000 1.293 390 L CA -0.384 53.883 54.840 -0.954 0.000 1.085 390 L CB -0.112 41.380 42.059 -0.944 0.000 1.432 390 L HN 0.208 nan 8.230 nan 0.000 0.512 391 D N 1.435 121.664 120.400 -0.285 0.000 2.837 391 D HA -0.213 4.429 4.640 0.003 0.000 0.230 391 D C 1.329 177.675 176.300 0.076 0.000 1.152 391 D CA 1.358 55.344 54.000 -0.022 0.000 0.736 391 D CB -1.021 39.872 40.800 0.154 0.000 1.084 391 D HN 0.755 nan 8.370 nan 0.000 0.429 392 G N -1.879 106.914 108.800 -0.011 0.000 2.194 392 G HA2 -0.358 3.603 3.960 0.003 0.000 0.236 392 G HA3 -0.358 3.603 3.960 0.003 0.000 0.236 392 G C 0.169 175.054 174.900 -0.025 0.000 0.987 392 G CA 0.126 45.218 45.100 -0.013 0.000 0.635 392 G HN 0.391 nan 8.290 nan 0.000 0.520 393 Y N 2.369 122.577 120.300 -0.155 0.000 2.336 393 Y HA 0.497 5.047 4.550 0.001 0.000 0.331 393 Y C 1.595 177.408 175.900 -0.145 0.000 1.211 393 Y CA 0.385 58.420 58.100 -0.109 0.000 1.346 393 Y CB 0.908 39.325 38.460 -0.073 0.000 1.271 393 Y HN 0.300 nan 8.280 nan 0.000 0.538 394 T N -0.640 113.928 114.554 0.024 0.000 2.847 394 T HA 0.187 4.539 4.350 0.003 0.000 0.279 394 T C 1.094 175.787 174.700 -0.012 0.000 0.984 394 T CA -0.844 61.240 62.100 -0.026 0.000 0.988 394 T CB 0.854 69.703 68.868 -0.031 0.000 1.040 394 T HN 0.706 nan 8.240 nan 0.000 0.528 395 M N 0.844 120.399 119.600 -0.074 0.000 2.117 395 M HA -0.057 4.425 4.480 0.003 0.000 0.262 395 M C 1.471 177.759 176.300 -0.020 0.000 1.065 395 M CA 1.721 56.957 55.300 -0.106 0.000 1.114 395 M CB -1.269 31.217 32.600 -0.190 0.000 1.361 395 M HN 0.707 nan 8.290 nan 0.000 0.408 396 D N 0.053 120.453 120.400 0.001 0.000 2.144 396 D HA -0.162 4.479 4.640 0.003 0.000 0.199 396 D C 1.922 178.254 176.300 0.054 0.000 0.984 396 D CA 1.485 55.499 54.000 0.025 0.000 0.834 396 D CB -0.244 40.566 40.800 0.017 0.000 0.955 396 D HN 0.589 nan 8.370 nan 0.000 0.465 397 E N 0.669 120.917 120.200 0.080 0.000 2.072 397 E HA -0.092 4.260 4.350 0.003 0.000 0.191 397 E C 2.138 178.892 176.600 0.256 0.000 0.985 397 E CA 0.899 57.393 56.400 0.158 0.000 0.801 397 E CB -0.020 29.772 29.700 0.154 0.000 0.750 397 E HN 0.174 nan 8.360 nan 0.000 0.452 398 A N 1.279 124.246 122.820 0.246 0.000 1.902 398 A HA -0.153 4.169 4.320 0.003 0.000 0.217 398 A C 2.200 179.838 177.584 0.089 0.000 1.181 398 A CA 1.032 53.202 52.037 0.221 0.000 0.623 398 A CB -0.603 18.512 19.000 0.193 0.000 0.818 398 A HN 0.112 nan 8.150 nan 0.000 0.443 399 L N -0.852 120.402 121.223 0.050 0.000 2.027 399 L HA -0.112 4.230 4.340 0.003 0.000 0.206 399 L C 2.853 179.723 176.870 0.001 0.000 1.074 399 L CA 1.215 56.058 54.840 0.006 0.000 0.745 399 L CB -0.858 41.213 42.059 0.021 0.000 0.898 399 L HN 0.487 nan 8.230 nan 0.000 0.433 400 G N -0.559 108.260 108.800 0.033 0.000 2.422 400 G HA2 -0.236 3.725 3.960 0.003 0.000 0.218 400 G HA3 -0.236 3.725 3.960 0.003 0.000 0.218 400 G C 1.616 176.536 174.900 0.034 0.000 1.140 400 G CA 0.914 46.032 45.100 0.029 0.000 0.775 400 G HN 0.503 nan 8.290 nan 0.000 0.545 401 S N -0.323 115.414 115.700 0.061 0.000 2.593 401 S HA 0.167 4.638 4.470 0.003 0.000 0.217 401 S C 1.050 175.655 174.600 0.008 0.000 0.966 401 S CA -0.004 58.233 58.200 0.062 0.000 0.914 401 S CB 0.152 63.436 63.200 0.141 0.000 0.776 401 S HN 0.216 nan 8.310 nan 0.000 0.523 402 R N 0.617 121.094 120.500 -0.038 0.000 3.336 402 R HA -0.127 4.215 4.340 0.003 0.000 0.260 402 R C 0.045 176.265 176.300 -0.132 0.000 1.032 402 R CA 0.588 56.618 56.100 -0.117 0.000 0.693 402 R CB -2.539 27.731 30.300 -0.049 0.000 1.134 402 R HN 0.632 nan 8.270 nan 0.000 0.433 403 R N -0.572 119.840 120.500 -0.146 0.000 2.397 403 R HA 0.209 4.551 4.340 0.003 0.000 0.241 403 R C 0.294 176.509 176.300 -0.141 0.000 0.914 403 R CA -0.335 55.668 56.100 -0.161 0.000 1.071 403 R CB 0.463 30.522 30.300 -0.402 0.000 1.116 403 R HN -0.061 nan 8.270 nan 0.000 0.524 404 L N 0.961 122.005 121.223 -0.298 0.000 2.296 404 L HA 0.469 4.810 4.340 0.003 0.000 0.286 404 L C -1.028 175.483 176.870 -0.599 0.000 1.023 404 L CA -0.186 54.540 54.840 -0.190 0.000 0.812 404 L CB 0.793 42.816 42.059 -0.061 0.000 1.223 404 L HN -0.185 nan 8.230 nan 0.000 0.421 405 F N 4.101 124.055 119.950 0.008 0.000 2.664 405 F HA 0.765 5.293 4.527 0.002 0.000 0.329 405 F C -0.069 175.733 175.800 0.003 0.000 1.090 405 F CA -0.790 57.198 58.000 -0.020 0.000 0.978 405 F CB 1.903 40.857 39.000 -0.077 0.000 1.378 405 F HN 0.381 nan 8.300 nan 0.000 0.495 406 M N 1.554 121.248 119.600 0.157 0.000 2.465 406 M HA 0.650 5.131 4.480 0.003 0.000 0.284 406 M C -2.309 173.982 176.300 -0.015 0.000 1.212 406 M CA -0.899 54.443 55.300 0.069 0.000 0.910 406 M CB 2.559 35.182 32.600 0.039 0.000 1.725 406 M HN 0.446 nan 8.290 nan 0.000 0.477 407 L N 2.667 123.854 121.223 -0.060 0.000 2.283 407 L HA 0.542 4.884 4.340 0.003 0.000 0.281 407 L C -1.338 175.380 176.870 -0.253 0.000 1.033 407 L CA 0.381 55.100 54.840 -0.201 0.000 0.848 407 L CB 0.806 42.774 42.059 -0.153 0.000 1.226 407 L HN 0.769 nan 8.230 nan 0.000 0.429 408 D N 3.312 123.502 120.400 -0.351 0.000 2.454 408 D HA 0.188 4.830 4.640 0.003 0.000 0.225 408 D C -0.422 175.700 176.300 -0.296 0.000 1.081 408 D CA 0.000 53.868 54.000 -0.221 0.000 0.864 408 D CB 0.501 41.236 40.800 -0.109 0.000 1.040 408 D HN 0.430 nan 8.370 nan 0.000 0.517 409 Y N 2.121 122.472 120.300 0.085 0.000 2.555 409 Y HA 0.092 4.644 4.550 0.003 0.000 0.259 409 Y C 1.873 177.906 175.900 0.222 0.000 1.179 409 Y CA -0.338 57.857 58.100 0.159 0.000 1.230 409 Y CB -0.144 38.381 38.460 0.108 0.000 1.146 409 Y HN 0.620 nan 8.280 nan 0.000 0.526 410 H N 0.608 119.789 119.070 0.184 0.000 2.270 410 H HA -0.129 4.428 4.556 0.003 0.000 0.299 410 H C 0.750 176.146 175.328 0.112 0.000 1.077 410 H CA 2.255 58.384 56.048 0.134 0.000 1.294 410 H CB 0.190 29.989 29.762 0.062 0.000 1.371 410 H HN 0.236 nan 8.280 nan 0.000 0.491 411 D N 0.248 120.813 120.400 0.274 0.000 2.224 411 D HA -0.037 4.605 4.640 0.003 0.000 0.205 411 D C 2.507 178.874 176.300 0.112 0.000 0.965 411 D CA 0.476 54.569 54.000 0.155 0.000 0.852 411 D CB -0.068 40.830 40.800 0.163 0.000 0.947 411 D HN 0.440 nan 8.370 nan 0.000 0.494 412 I N -0.484 120.207 120.570 0.202 0.000 2.202 412 I HA -0.224 3.948 4.170 0.003 0.000 0.242 412 I C 1.674 177.853 176.117 0.102 0.000 1.091 412 I CA 0.908 62.331 61.300 0.206 0.000 1.368 412 I CB -0.055 38.158 38.000 0.355 0.000 1.058 412 I HN -0.092 nan 8.210 nan 0.000 0.410 413 F N -0.629 119.389 119.950 0.114 0.000 2.473 413 F HA -0.045 4.484 4.527 0.003 0.000 0.294 413 F C 2.301 178.093 175.800 -0.013 0.000 1.103 413 F CA 0.523 58.571 58.000 0.079 0.000 1.442 413 F CB -0.292 38.746 39.000 0.064 0.000 1.097 413 F HN -0.018 nan 8.300 nan 0.000 0.547 414 M N 1.450 121.030 119.600 -0.034 0.000 2.106 414 M HA -0.147 4.335 4.480 0.003 0.000 0.259 414 M C -1.102 175.004 176.300 -0.322 0.000 1.068 414 M CA 2.241 57.364 55.300 -0.296 0.000 1.100 414 M CB -1.676 30.547 32.600 -0.630 0.000 1.351 414 M HN -0.183 nan 8.290 nan 0.000 0.404 415 P HA -0.117 nan 4.420 nan 0.000 0.225 415 P C 0.462 177.645 177.300 -0.196 0.000 1.148 415 P CA 1.385 64.402 63.100 -0.139 0.000 0.779 415 P CB -0.198 31.462 31.700 -0.066 0.000 0.780 416 Y N -2.475 117.775 120.300 -0.083 0.000 2.467 416 Y HA 0.056 4.608 4.550 0.003 0.000 0.250 416 Y C 2.063 177.920 175.900 -0.072 0.000 1.155 416 Y CA -0.015 58.019 58.100 -0.110 0.000 1.249 416 Y CB -0.261 38.114 38.460 -0.141 0.000 1.146 416 Y HN -0.291 nan 8.280 nan 0.000 0.524 417 V N 0.325 120.289 119.914 0.083 0.000 2.295 417 V HA -0.330 3.792 4.120 0.003 0.000 0.246 417 V C 2.520 178.611 176.094 -0.003 0.000 1.049 417 V CA 2.263 64.595 62.300 0.053 0.000 1.024 417 V CB -0.437 31.388 31.823 0.004 0.000 0.648 417 V HN 0.336 nan 8.190 nan 0.000 0.447 418 R N 0.418 120.904 120.500 -0.024 0.000 2.083 418 R HA -0.241 4.100 4.340 0.003 0.000 0.237 418 R C 2.531 178.804 176.300 -0.046 0.000 1.137 418 R CA 2.185 58.263 56.100 -0.037 0.000 0.951 418 R CB -0.306 29.977 30.300 -0.028 0.000 0.851 418 R HN 0.800 nan 8.270 nan 0.000 0.434 419 Q N -0.164 119.572 119.800 -0.107 0.000 2.167 419 Q HA -0.138 4.204 4.340 0.003 0.000 0.202 419 Q C 2.093 178.079 176.000 -0.025 0.000 0.970 419 Q CA 1.404 57.115 55.803 -0.153 0.000 0.855 419 Q CB -0.265 28.181 28.738 -0.485 0.000 0.911 419 Q HN 0.439 nan 8.270 nan 0.000 0.438 420 I N 1.779 122.355 120.570 0.009 0.000 2.202 420 I HA -0.222 3.949 4.170 0.003 0.000 0.242 420 I C 1.434 177.610 176.117 0.098 0.000 1.091 420 I CA 0.974 62.357 61.300 0.138 0.000 1.368 420 I CB -0.323 37.772 38.000 0.159 0.000 1.058 420 I HN 0.229 nan 8.210 nan 0.000 0.410 421 N N 0.495 119.218 118.700 0.038 0.000 2.520 421 N HA -0.140 4.602 4.740 0.003 0.000 0.185 421 N C 1.651 177.173 175.510 0.020 0.000 1.068 421 N CA 0.678 53.731 53.050 0.006 0.000 0.911 421 N CB -0.169 38.289 38.487 -0.048 0.000 0.961 421 N HN 0.351 nan 8.380 nan 0.000 0.446 422 Q N 0.140 119.965 119.800 0.042 0.000 2.378 422 Q HA 0.122 4.463 4.340 0.003 0.000 0.205 422 Q C 0.347 176.386 176.000 0.066 0.000 0.954 422 Q CA 0.127 55.959 55.803 0.049 0.000 0.901 422 Q CB 0.145 28.918 28.738 0.058 0.000 0.981 422 Q HN 0.427 nan 8.270 nan 0.000 0.483 423 L N 1.622 122.898 121.223 0.089 0.000 2.439 423 L HA 0.027 4.369 4.340 0.003 0.000 0.269 423 L C 1.543 178.439 176.870 0.043 0.000 1.179 423 L CA -0.469 54.417 54.840 0.078 0.000 0.828 423 L CB 0.195 42.315 42.059 0.101 0.000 1.106 423 L HN 0.026 nan 8.230 nan 0.000 0.467 424 N N 0.476 119.193 118.700 0.029 0.000 2.069 424 N HA -0.158 4.583 4.740 0.003 0.000 0.191 424 N C 1.107 176.624 175.510 0.012 0.000 1.031 424 N CA 1.407 54.466 53.050 0.016 0.000 0.852 424 N CB 0.034 38.526 38.487 0.009 0.000 1.018 424 N HN 0.514 nan 8.380 nan 0.000 0.423 425 S N -0.529 115.176 115.700 0.008 0.000 2.581 425 S HA 0.578 5.050 4.470 0.003 0.000 0.245 425 S C -0.698 173.906 174.600 0.006 0.000 1.115 425 S CA -0.599 57.601 58.200 0.000 0.000 1.093 425 S CB -0.266 62.924 63.200 -0.016 0.000 0.853 425 S HN 0.373 nan 8.310 nan 0.000 0.479 426 A N 1.811 124.644 122.820 0.022 0.000 2.422 426 A HA 0.857 5.179 4.320 0.003 0.000 0.302 426 A C -1.053 176.547 177.584 0.027 0.000 1.041 426 A CA -0.673 51.384 52.037 0.034 0.000 0.708 426 A CB 1.202 20.240 19.000 0.063 0.000 1.257 426 A HN 0.201 nan 8.150 nan 0.000 0.414 427 K N 1.013 121.428 120.400 0.024 0.000 2.553 427 K HA 0.697 5.018 4.320 0.003 0.000 0.250 427 K C -1.097 175.492 176.600 -0.018 0.000 0.953 427 K CA -0.304 55.968 56.287 -0.026 0.000 0.800 427 K CB 1.948 34.421 32.500 -0.045 0.000 1.243 427 K HN 0.797 nan 8.250 nan 0.000 0.435 428 T N 0.987 115.477 114.554 -0.107 0.000 2.841 428 T HA 0.739 5.090 4.350 0.003 0.000 0.296 428 T C -1.533 172.991 174.700 -0.293 0.000 1.166 428 T CA -0.423 61.631 62.100 -0.076 0.000 1.007 428 T CB 0.811 69.706 68.868 0.046 0.000 1.253 428 T HN 0.340 nan 8.240 nan 0.000 0.511 429 Y N 0.090 120.315 120.300 -0.126 0.000 2.562 429 Y HA 0.697 5.249 4.550 0.003 0.000 0.343 429 Y C 0.345 176.185 175.900 -0.099 0.000 1.025 429 Y CA -1.102 56.914 58.100 -0.140 0.000 1.082 429 Y CB 1.931 40.261 38.460 -0.217 0.000 1.264 429 Y HN 0.774 nan 8.280 nan 0.000 0.478 430 A N 1.686 124.578 122.820 0.121 0.000 2.316 430 A HA 0.509 4.831 4.320 0.003 0.000 0.311 430 A C 0.082 177.733 177.584 0.111 0.000 1.339 430 A CA -0.374 51.710 52.037 0.079 0.000 0.960 430 A CB -0.688 18.279 19.000 -0.054 0.000 1.152 430 A HN 0.684 nan 8.150 nan 0.000 0.547 431 T N 0.494 115.115 114.554 0.111 0.000 2.934 431 T HA 0.710 5.062 4.350 0.003 0.000 0.283 431 T C -0.165 174.655 174.700 0.199 0.000 1.005 431 T CA -0.761 61.425 62.100 0.144 0.000 1.041 431 T CB 1.255 70.196 68.868 0.120 0.000 1.042 431 T HN 0.710 nan 8.240 nan 0.000 0.505 432 R N 0.827 121.424 120.500 0.161 0.000 2.533 432 R HA 0.493 4.835 4.340 0.003 0.000 0.288 432 R C -1.436 174.947 176.300 0.139 0.000 1.039 432 R CA -0.478 55.701 56.100 0.132 0.000 0.909 432 R CB 1.981 32.350 30.300 0.114 0.000 1.195 432 R HN 0.841 nan 8.270 nan 0.000 0.438 433 T N 5.271 119.906 114.554 0.135 0.000 2.807 433 T HA 0.459 4.811 4.350 0.003 0.000 0.279 433 T C -0.226 174.579 174.700 0.175 0.000 0.993 433 T CA -0.604 61.613 62.100 0.194 0.000 0.970 433 T CB 0.916 69.922 68.868 0.229 0.000 0.950 433 T HN 0.296 nan 8.240 nan 0.000 0.441 434 I N 4.062 124.765 120.570 0.223 0.000 2.385 434 I HA 0.473 4.644 4.170 0.003 0.000 0.294 434 I C -0.223 176.029 176.117 0.225 0.000 0.988 434 I CA -0.858 60.569 61.300 0.211 0.000 1.265 434 I CB 1.021 39.160 38.000 0.231 0.000 1.388 434 I HN 0.499 nan 8.210 nan 0.000 0.480 435 L N 5.940 127.291 121.223 0.213 0.000 2.354 435 L HA 0.518 4.860 4.340 0.003 0.000 0.269 435 L C -0.806 176.232 176.870 0.280 0.000 1.005 435 L CA -0.611 54.360 54.840 0.219 0.000 0.819 435 L CB 2.329 44.475 42.059 0.144 0.000 1.311 435 L HN 0.345 nan 8.230 nan 0.000 0.423 436 F N 2.924 122.923 119.950 0.083 0.000 2.482 436 F HA 0.575 5.103 4.527 0.002 0.000 0.331 436 F C -0.836 174.983 175.800 0.031 0.000 1.115 436 F CA -1.048 56.978 58.000 0.043 0.000 0.955 436 F CB 1.607 40.590 39.000 -0.029 0.000 1.136 436 F HN 0.262 nan 8.300 nan 0.000 0.452 437 L N 7.585 128.380 121.223 -0.713 0.000 2.295 437 L HA 0.425 4.767 4.340 0.003 0.000 0.288 437 L C -0.038 176.240 176.870 -0.986 0.000 1.079 437 L CA 0.046 54.530 54.840 -0.594 0.000 0.830 437 L CB -0.052 41.831 42.059 -0.294 0.000 1.200 437 L HN 0.633 nan 8.230 nan 0.000 0.438 438 R N 3.434 123.630 120.500 -0.506 0.000 2.707 438 R HA 0.099 4.441 4.340 0.003 0.000 0.270 438 R C 0.867 177.055 176.300 -0.187 0.000 1.083 438 R CA -0.348 55.604 56.100 -0.246 0.000 1.182 438 R CB 0.432 30.734 30.300 0.002 0.000 1.084 438 R HN 0.628 nan 8.270 nan 0.000 0.528 439 E N 1.054 121.232 120.200 -0.036 0.000 2.204 439 E HA -0.195 4.156 4.350 0.003 0.000 0.195 439 E C 0.865 177.463 176.600 -0.003 0.000 0.990 439 E CA 1.434 57.838 56.400 0.008 0.000 0.821 439 E CB -0.015 29.752 29.700 0.112 0.000 0.750 439 E HN 0.586 nan 8.360 nan 0.000 0.477 440 D N -0.709 119.690 120.400 -0.001 0.000 2.363 440 D HA -0.013 4.629 4.640 0.003 0.000 0.226 440 D C 1.260 177.544 176.300 -0.027 0.000 1.020 440 D CA 0.814 54.812 54.000 -0.002 0.000 0.892 440 D CB 0.137 40.944 40.800 0.012 0.000 0.900 440 D HN 0.198 nan 8.370 nan 0.000 0.531 441 G N -0.260 108.503 108.800 -0.063 0.000 2.175 441 G HA2 -0.252 3.710 3.960 0.003 0.000 0.244 441 G HA3 -0.252 3.710 3.960 0.003 0.000 0.244 441 G C 0.453 175.290 174.900 -0.104 0.000 0.982 441 G CA 0.518 45.568 45.100 -0.084 0.000 0.641 441 G HN 0.823 nan 8.290 nan 0.000 0.527 442 T N -0.850 113.651 114.554 -0.089 0.000 2.934 442 T HA 0.755 5.107 4.350 0.003 0.000 0.283 442 T C 0.351 174.981 174.700 -0.116 0.000 1.005 442 T CA -0.869 61.179 62.100 -0.087 0.000 1.041 442 T CB 2.281 71.129 68.868 -0.034 0.000 1.042 442 T HN 0.459 nan 8.240 nan 0.000 0.505 443 L N 1.837 122.987 121.223 -0.121 0.000 2.334 443 L HA 0.564 4.906 4.340 0.003 0.000 0.277 443 L C 0.332 177.204 176.870 0.003 0.000 1.075 443 L CA -0.833 53.942 54.840 -0.108 0.000 0.804 443 L CB 1.204 43.161 42.059 -0.170 0.000 1.174 443 L HN 0.836 nan 8.230 nan 0.000 0.438 444 K N 3.092 123.538 120.400 0.078 0.000 2.427 444 K HA 0.593 4.915 4.320 0.003 0.000 0.252 444 K C -2.897 173.831 176.600 0.214 0.000 0.931 444 K CA -1.864 54.514 56.287 0.151 0.000 0.793 444 K CB 2.214 34.807 32.500 0.155 0.000 1.211 444 K HN 0.124 nan 8.250 nan 0.000 0.426 445 P HA -0.010 nan 4.420 nan 0.000 0.281 445 P C 0.449 177.925 177.300 0.294 0.000 1.252 445 P CA -0.548 62.799 63.100 0.411 0.000 0.778 445 P CB 1.453 33.596 31.700 0.739 0.000 0.895 446 V N -0.091 119.970 119.914 0.246 0.000 3.604 446 V HA 0.724 4.845 4.120 0.003 0.000 0.277 446 V C 0.363 176.510 176.094 0.088 0.000 1.399 446 V CA 0.261 62.613 62.300 0.086 0.000 1.034 446 V CB -0.210 31.637 31.823 0.039 0.000 0.824 446 V HN 0.687 nan 8.190 nan 0.000 0.439 447 A N 0.014 122.996 122.820 0.271 0.000 2.594 447 A HA 0.805 5.127 4.320 0.003 0.000 0.296 447 A C -1.544 176.277 177.584 0.396 0.000 1.056 447 A CA -0.397 51.822 52.037 0.304 0.000 0.693 447 A CB 1.293 20.410 19.000 0.195 0.000 1.278 447 A HN 0.273 nan 8.150 nan 0.000 0.408 448 I N 1.197 122.001 120.570 0.391 0.000 2.478 448 I HA 0.385 4.556 4.170 0.003 0.000 0.287 448 I C -0.257 175.947 176.117 0.145 0.000 1.042 448 I CA -0.219 61.223 61.300 0.238 0.000 1.067 448 I CB 2.092 40.158 38.000 0.111 0.000 1.233 448 I HN 0.839 nan 8.210 nan 0.000 0.431 449 E N 7.283 127.549 120.200 0.109 0.000 2.156 449 E HA 0.496 4.848 4.350 0.003 0.000 0.279 449 E C -1.438 175.170 176.600 0.014 0.000 0.965 449 E CA -0.580 55.861 56.400 0.068 0.000 0.789 449 E CB 1.193 30.948 29.700 0.090 0.000 1.098 449 E HN 0.520 nan 8.360 nan 0.000 0.397 450 L N 4.132 125.290 121.223 -0.108 0.000 2.313 450 L HA 0.357 4.699 4.340 0.003 0.000 0.273 450 L C -0.589 176.246 176.870 -0.058 0.000 1.028 450 L CA -0.559 54.081 54.840 -0.333 0.000 0.871 450 L CB 1.338 42.768 42.059 -1.047 0.000 1.242 450 L HN 0.455 nan 8.230 nan 0.000 0.434 451 S N 3.934 119.720 115.700 0.144 0.000 2.525 451 S HA 0.748 5.219 4.470 0.003 0.000 0.290 451 S C -0.255 174.461 174.600 0.194 0.000 1.152 451 S CA -0.553 57.772 58.200 0.207 0.000 1.072 451 S CB 1.924 65.253 63.200 0.215 0.000 1.027 451 S HN 0.355 nan 8.310 nan 0.000 0.500 452 L N 3.444 124.746 121.223 0.132 0.000 2.370 452 L HA 0.573 4.915 4.340 0.003 0.000 0.266 452 L C -2.366 174.314 176.870 -0.317 0.000 1.002 452 L CA -2.480 52.304 54.840 -0.093 0.000 0.818 452 L CB 2.519 44.499 42.059 -0.131 0.000 1.325 452 L HN 0.390 nan 8.230 nan 0.000 0.418 453 P HA 0.238 nan 4.420 nan 0.000 0.277 453 P C -1.506 175.510 177.300 -0.473 0.000 1.240 453 P CA -0.272 62.731 63.100 -0.163 0.000 0.798 453 P CB 0.896 32.640 31.700 0.074 0.000 0.979 454 H N -1.033 118.107 119.070 0.117 0.000 2.759 454 H HA 0.568 5.125 4.556 0.003 0.000 0.354 454 H C -0.636 174.722 175.328 0.050 0.000 1.074 454 H CA -0.520 55.571 56.048 0.071 0.000 1.226 454 H CB 1.820 31.622 29.762 0.067 0.000 1.648 454 H HN 0.285 nan 8.280 nan 0.000 0.529 455 S N 1.800 117.571 115.700 0.119 0.000 2.548 455 S HA 0.660 5.132 4.470 0.003 0.000 0.276 455 S C -0.724 173.906 174.600 0.049 0.000 1.129 455 S CA -0.559 57.673 58.200 0.053 0.000 0.931 455 S CB 0.803 64.003 63.200 -0.001 0.000 1.068 455 S HN 0.882 nan 8.310 nan 0.000 0.480 456 A N 2.250 125.090 122.820 0.033 0.000 2.567 456 A HA 0.477 4.799 4.320 0.003 0.000 0.240 456 A C 1.519 179.114 177.584 0.019 0.000 1.053 456 A CA 0.905 52.958 52.037 0.026 0.000 0.755 456 A CB -1.157 17.851 19.000 0.014 0.000 0.978 456 A HN 2.281 nan 8.150 nan 0.000 0.507 457 G N 2.021 110.834 108.800 0.023 0.000 2.195 457 G HA2 -0.178 3.784 3.960 0.003 0.000 0.224 457 G HA3 -0.178 3.784 3.960 0.003 0.000 0.224 457 G C -0.056 174.856 174.900 0.021 0.000 0.990 457 G CA 0.163 45.273 45.100 0.017 0.000 0.639 457 G HN 0.841 nan 8.290 nan 0.000 0.514 458 D N 0.352 120.771 120.400 0.032 0.000 2.488 458 D HA 0.272 4.913 4.640 0.003 0.000 0.238 458 D C 1.860 178.179 176.300 0.032 0.000 1.138 458 D CA 0.026 54.046 54.000 0.033 0.000 0.873 458 D CB 0.866 41.699 40.800 0.055 0.000 1.183 458 D HN 0.223 nan 8.370 nan 0.000 0.458 459 L N 1.038 122.275 121.223 0.023 0.000 2.270 459 L HA -0.038 4.304 4.340 0.003 0.000 0.210 459 L C 1.456 178.342 176.870 0.027 0.000 1.104 459 L CA 0.474 55.328 54.840 0.022 0.000 0.804 459 L CB -0.118 41.951 42.059 0.016 0.000 0.937 459 L HN 0.199 nan 8.230 nan 0.000 0.450 460 S N -0.116 115.601 115.700 0.029 0.000 2.565 460 S HA 0.393 4.865 4.470 0.003 0.000 0.276 460 S C 0.821 175.456 174.600 0.057 0.000 1.326 460 S CA -0.038 58.182 58.200 0.033 0.000 1.045 460 S CB 1.683 64.893 63.200 0.016 0.000 0.918 460 S HN 0.240 nan 8.310 nan 0.000 0.505 461 A N 3.861 126.714 122.820 0.056 0.000 2.348 461 A HA 0.621 4.943 4.320 0.003 0.000 0.224 461 A C 0.973 178.609 177.584 0.088 0.000 1.227 461 A CA 0.250 52.327 52.037 0.067 0.000 0.885 461 A CB -0.513 18.516 19.000 0.048 0.000 0.933 461 A HN 1.126 nan 8.150 nan 0.000 0.506 462 A N 0.403 123.277 122.820 0.090 0.000 2.498 462 A HA 0.492 4.814 4.320 0.003 0.000 0.239 462 A C 0.464 178.168 177.584 0.200 0.000 1.068 462 A CA 0.508 52.612 52.037 0.111 0.000 0.766 462 A CB -0.140 18.895 19.000 0.058 0.000 1.003 462 A HN 1.336 nan 8.150 nan 0.000 0.497 463 V N 0.034 120.075 119.914 0.212 0.000 3.113 463 V HA 0.780 4.901 4.120 0.003 0.000 0.316 463 V C 0.253 176.520 176.094 0.289 0.000 1.125 463 V CA -0.732 61.734 62.300 0.277 0.000 1.026 463 V CB 1.385 33.269 31.823 0.101 0.000 1.080 463 V HN 0.838 nan 8.190 nan 0.000 0.444 464 S N 2.194 118.084 115.700 0.317 0.000 2.579 464 S HA 0.504 4.975 4.470 0.003 0.000 0.275 464 S C -0.238 174.435 174.600 0.122 0.000 1.345 464 S CA -0.410 57.939 58.200 0.248 0.000 1.031 464 S CB 0.266 63.626 63.200 0.266 0.000 0.892 464 S HN 1.029 nan 8.310 nan 0.000 0.529 465 Q N -0.695 119.130 119.800 0.041 0.000 2.522 465 Q HA 0.657 4.999 4.340 0.003 0.000 0.285 465 Q C -2.014 173.984 176.000 -0.003 0.000 0.982 465 Q CA -1.022 54.792 55.803 0.019 0.000 0.805 465 Q CB 1.151 29.902 28.738 0.022 0.000 1.457 465 Q HN 0.362 nan 8.270 nan 0.000 0.394 466 V N 1.384 121.320 119.914 0.037 0.000 2.435 466 V HA 0.558 4.680 4.120 0.003 0.000 0.290 466 V C -0.503 175.644 176.094 0.089 0.000 1.030 466 V CA -0.588 61.751 62.300 0.065 0.000 0.881 466 V CB 1.638 33.510 31.823 0.080 0.000 0.983 466 V HN 0.625 nan 8.190 nan 0.000 0.445 467 V N 6.099 126.100 119.914 0.145 0.000 2.540 467 V HA 0.544 4.666 4.120 0.003 0.000 0.302 467 V C -0.256 176.029 176.094 0.319 0.000 1.035 467 V CA -0.550 61.884 62.300 0.225 0.000 0.873 467 V CB 1.790 33.771 31.823 0.262 0.000 0.992 467 V HN 0.627 nan 8.190 nan 0.000 0.428 468 L N 4.691 125.998 121.223 0.141 0.000 2.334 468 L HA 0.590 4.932 4.340 0.003 0.000 0.270 468 L C -2.451 174.073 176.870 -0.576 0.000 1.018 468 L CA -2.131 52.628 54.840 -0.136 0.000 0.811 468 L CB 2.001 43.985 42.059 -0.125 0.000 1.271 468 L HN 0.383 nan 8.230 nan 0.000 0.443 469 P HA 0.146 nan 4.420 nan 0.000 0.265 469 P C -1.198 175.638 177.300 -0.773 0.000 1.187 469 P CA 0.074 62.139 63.100 -1.726 0.000 0.766 469 P CB 0.677 31.665 31.700 -1.186 0.000 0.820 470 A N 2.635 125.089 122.820 -0.610 0.000 2.517 470 A HA 0.410 4.732 4.320 0.003 0.000 0.297 470 A C 0.180 177.679 177.584 -0.142 0.000 1.050 470 A CA -0.559 51.332 52.037 -0.242 0.000 0.694 470 A CB 1.338 20.274 19.000 -0.107 0.000 1.277 470 A HN 0.432 nan 8.150 nan 0.000 0.400 471 K N 0.332 120.667 120.400 -0.108 0.000 2.367 471 K HA 0.190 4.512 4.320 0.003 0.000 0.195 471 K C -0.056 176.503 176.600 -0.069 0.000 1.060 471 K CA 0.638 56.880 56.287 -0.075 0.000 1.022 471 K CB 0.691 33.146 32.500 -0.076 0.000 0.894 471 K HN 0.798 nan 8.250 nan 0.000 0.540 472 E N -0.273 119.888 120.200 -0.065 0.000 2.359 472 E HA 0.474 4.825 4.350 0.003 0.000 0.266 472 E C -0.123 176.446 176.600 -0.051 0.000 0.920 472 E CA -0.758 55.605 56.400 -0.062 0.000 0.788 472 E CB 1.901 31.570 29.700 -0.051 0.000 1.279 472 E HN 0.130 nan 8.360 nan 0.000 0.438 473 G N -0.091 108.677 108.800 -0.054 0.000 2.697 473 G HA2 -0.304 3.658 3.960 0.003 0.000 0.240 473 G HA3 -0.304 3.658 3.960 0.003 0.000 0.240 473 G C 0.674 175.551 174.900 -0.038 0.000 1.346 473 G CA -0.174 44.905 45.100 -0.035 0.000 0.887 473 G HN 0.544 nan 8.290 nan 0.000 0.569 474 V N 0.356 120.260 119.914 -0.016 0.000 2.594 474 V HA -0.068 4.054 4.120 0.003 0.000 0.253 474 V C 2.649 178.736 176.094 -0.012 0.000 1.069 474 V CA 3.242 65.521 62.300 -0.035 0.000 1.082 474 V CB -0.577 31.222 31.823 -0.040 0.000 0.680 474 V HN 0.735 nan 8.190 nan 0.000 0.469 475 E N 0.782 120.992 120.200 0.017 0.000 2.110 475 E HA -0.160 4.192 4.350 0.003 0.000 0.193 475 E C 2.402 179.041 176.600 0.066 0.000 0.988 475 E CA 1.576 58.002 56.400 0.043 0.000 0.804 475 E CB -0.412 29.302 29.700 0.023 0.000 0.745 475 E HN 0.839 nan 8.360 nan 0.000 0.458 476 S N -0.701 115.015 115.700 0.027 0.000 2.406 476 S HA -0.100 4.371 4.470 0.003 0.000 0.228 476 S C 1.997 176.644 174.600 0.079 0.000 1.020 476 S CA 1.345 59.577 58.200 0.054 0.000 0.965 476 S CB -0.479 62.704 63.200 -0.028 0.000 0.798 476 S HN 0.143 nan 8.310 nan 0.000 0.488 477 T N 2.558 117.127 114.554 0.024 0.000 2.857 477 T HA 0.213 4.564 4.350 0.003 0.000 0.266 477 T C 1.689 176.446 174.700 0.094 0.000 1.048 477 T CA 1.232 63.362 62.100 0.049 0.000 1.139 477 T CB -0.403 68.478 68.868 0.021 0.000 0.874 477 T HN 0.388 nan 8.240 nan 0.000 0.455 478 I N 0.273 120.896 120.570 0.088 0.000 2.252 478 I HA -0.143 4.029 4.170 0.003 0.000 0.245 478 I C 2.430 178.648 176.117 0.167 0.000 1.102 478 I CA 1.126 62.495 61.300 0.115 0.000 1.385 478 I CB -0.259 37.805 38.000 0.108 0.000 1.064 478 I HN 0.457 nan 8.210 nan 0.000 0.414 479 W N 1.565 122.864 121.300 -0.000 0.000 2.381 479 W HA -0.235 4.426 4.660 0.003 0.000 0.301 479 W C 2.260 178.759 176.519 -0.034 0.000 1.205 479 W CA 0.992 58.322 57.345 -0.026 0.000 1.285 479 W CB -0.123 29.306 29.460 -0.051 0.000 1.133 479 W HN 0.150 nan 8.180 nan 0.000 0.521 480 L N 1.565 122.766 121.223 -0.036 0.000 2.046 480 L HA -0.181 4.160 4.340 0.003 0.000 0.208 480 L C 2.436 179.299 176.870 -0.011 0.000 1.077 480 L CA 1.913 56.694 54.840 -0.100 0.000 0.747 480 L CB -1.083 41.015 42.059 0.065 0.000 0.896 480 L HN -0.028 nan 8.230 nan 0.000 0.432 481 L N -0.723 120.532 121.223 0.053 0.000 2.093 481 L HA -0.149 4.192 4.340 0.003 0.000 0.208 481 L C 2.693 179.507 176.870 -0.095 0.000 1.085 481 L CA 1.072 55.894 54.840 -0.030 0.000 0.755 481 L CB -0.930 41.163 42.059 0.056 0.000 0.904 481 L HN 0.375 nan 8.230 nan 0.000 0.435 482 A N 0.176 122.971 122.820 -0.042 0.000 1.908 482 A HA -0.233 4.088 4.320 0.003 0.000 0.218 482 A C 2.333 179.771 177.584 -0.245 0.000 1.181 482 A CA 1.729 53.738 52.037 -0.046 0.000 0.627 482 A CB -0.365 18.543 19.000 -0.155 0.000 0.818 482 A HN 0.317 nan 8.150 nan 0.000 0.445 483 K N -0.420 119.635 120.400 -0.575 0.000 2.057 483 K HA -0.087 4.235 4.320 0.003 0.000 0.207 483 K C 2.324 178.813 176.600 -0.185 0.000 1.049 483 K CA 1.097 56.998 56.287 -0.643 0.000 0.931 483 K CB -0.342 31.516 32.500 -1.070 0.000 0.714 483 K HN 0.458 nan 8.250 nan 0.000 0.440 484 A N 0.798 123.523 122.820 -0.159 0.000 1.902 484 A HA -0.184 4.138 4.320 0.003 0.000 0.217 484 A C 1.893 179.353 177.584 -0.208 0.000 1.181 484 A CA 1.355 53.277 52.037 -0.192 0.000 0.623 484 A CB -0.778 17.946 19.000 -0.459 0.000 0.818 484 A HN 0.260 nan 8.150 nan 0.000 0.443 485 Y N -0.232 120.031 120.300 -0.062 0.000 2.224 485 Y HA -0.159 4.392 4.550 0.003 0.000 0.289 485 Y C 2.616 178.491 175.900 -0.041 0.000 1.146 485 Y CA 1.249 59.335 58.100 -0.023 0.000 1.182 485 Y CB -0.807 37.682 38.460 0.049 0.000 0.983 485 Y HN 0.093 nan 8.280 nan 0.000 0.524 486 V N -0.100 119.899 119.914 0.141 0.000 2.295 486 V HA -0.287 3.834 4.120 0.003 0.000 0.246 486 V C 2.195 178.358 176.094 0.116 0.000 1.049 486 V CA 1.489 63.881 62.300 0.153 0.000 1.024 486 V CB -0.579 31.408 31.823 0.273 0.000 0.648 486 V HN 0.326 nan 8.190 nan 0.000 0.447 487 I N -0.291 120.359 120.570 0.134 0.000 2.493 487 I HA -0.132 4.039 4.170 0.003 0.000 0.254 487 I C 2.417 178.544 176.117 0.015 0.000 1.160 487 I CA 1.194 62.552 61.300 0.095 0.000 1.445 487 I CB -1.152 36.922 38.000 0.123 0.000 1.086 487 I HN 0.166 nan 8.210 nan 0.000 0.433 488 V N 1.322 121.220 119.914 -0.028 0.000 2.295 488 V HA -0.277 3.845 4.120 0.003 0.000 0.246 488 V C 2.191 178.229 176.094 -0.093 0.000 1.049 488 V CA 1.883 64.161 62.300 -0.036 0.000 1.024 488 V CB -0.835 30.964 31.823 -0.039 0.000 0.648 488 V HN 0.474 nan 8.190 nan 0.000 0.447 489 N N -0.074 118.452 118.700 -0.291 0.000 2.069 489 N HA -0.257 4.485 4.740 0.003 0.000 0.191 489 N C 1.669 176.851 175.510 -0.545 0.000 1.031 489 N CA 1.749 54.338 53.050 -0.769 0.000 0.852 489 N CB -0.179 37.691 38.487 -1.029 0.000 1.018 489 N HN 0.554 nan 8.380 nan 0.000 0.423 490 D N 0.065 120.281 120.400 -0.307 0.000 2.117 490 D HA -0.043 4.599 4.640 0.003 0.000 0.197 490 D C 1.790 178.190 176.300 0.167 0.000 0.987 490 D CA 0.944 54.928 54.000 -0.027 0.000 0.829 490 D CB 0.159 41.062 40.800 0.172 0.000 0.961 490 D HN 0.028 nan 8.370 nan 0.000 0.460 491 S N -1.070 114.728 115.700 0.163 0.000 2.383 491 S HA -0.143 4.329 4.470 0.003 0.000 0.227 491 S C 2.168 177.004 174.600 0.394 0.000 1.026 491 S CA 0.634 59.016 58.200 0.303 0.000 0.981 491 S CB -0.285 63.080 63.200 0.274 0.000 0.818 491 S HN 0.481 nan 8.310 nan 0.000 0.472 492 C N 0.131 119.626 119.300 0.325 0.000 2.453 492 C HA -0.017 4.445 4.460 0.003 0.000 0.277 492 C C 2.329 177.409 174.990 0.149 0.000 1.262 492 C CA 0.312 59.477 59.018 0.246 0.000 1.718 492 C CB -1.254 26.714 27.740 0.380 0.000 2.031 492 C HN 0.689 nan 8.230 nan 0.000 0.480 493 Y N 0.540 120.917 120.300 0.128 0.000 2.181 493 Y HA -0.219 4.333 4.550 0.003 0.000 0.288 493 Y C 2.841 178.823 175.900 0.138 0.000 1.146 493 Y CA 2.247 60.426 58.100 0.132 0.000 1.164 493 Y CB -0.697 37.877 38.460 0.189 0.000 0.982 493 Y HN 0.506 nan 8.280 nan 0.000 0.515 494 H N -0.205 119.022 119.070 0.262 0.000 2.293 494 H HA -0.173 4.385 4.556 0.003 0.000 0.300 494 H C 2.115 177.503 175.328 0.099 0.000 1.082 494 H CA 1.677 57.839 56.048 0.190 0.000 1.308 494 H CB -0.313 29.557 29.762 0.180 0.000 1.375 494 H HN 0.447 nan 8.280 nan 0.000 0.495 495 A N 1.076 123.846 122.820 -0.082 0.000 1.902 495 A HA -0.080 4.242 4.320 0.003 0.000 0.217 495 A C 2.851 180.295 177.584 -0.233 0.000 1.181 495 A CA 1.508 53.415 52.037 -0.217 0.000 0.623 495 A CB -0.727 17.936 19.000 -0.560 0.000 0.818 495 A HN 0.437 nan 8.150 nan 0.000 0.443 496 L N -2.257 118.818 121.223 -0.248 0.000 2.202 496 L HA -0.025 4.317 4.340 0.003 0.000 0.205 496 L C 2.409 179.217 176.870 -0.102 0.000 1.083 496 L CA 0.749 55.491 54.840 -0.163 0.000 0.790 496 L CB -0.229 41.698 42.059 -0.220 0.000 0.942 496 L HN 0.312 nan 8.230 nan 0.000 0.452 497 M N -1.500 117.932 119.600 -0.280 0.000 2.962 497 M HA 0.092 4.574 4.480 0.003 0.000 0.242 497 M C 2.338 178.540 176.300 -0.162 0.000 1.396 497 M CA 1.033 56.132 55.300 -0.336 0.000 1.287 497 M CB -0.755 31.270 32.600 -0.958 0.000 1.168 497 M HN -0.164 nan 8.290 nan 0.000 0.557 498 S N -0.236 115.381 115.700 -0.138 0.000 2.370 498 S HA -0.181 4.290 4.470 0.003 0.000 0.226 498 S C 1.956 176.579 174.600 0.039 0.000 1.033 498 S CA 1.743 59.964 58.200 0.035 0.000 1.011 498 S CB -0.541 62.733 63.200 0.123 0.000 0.852 498 S HN 0.546 nan 8.310 nan 0.000 0.457 499 H N -1.225 117.718 119.070 -0.213 0.000 2.300 499 H HA 0.006 4.564 4.556 0.003 0.000 0.322 499 H C 2.180 177.544 175.328 0.059 0.000 1.088 499 H CA 0.435 56.421 56.048 -0.102 0.000 1.532 499 H CB -0.318 29.276 29.762 -0.280 0.000 1.488 499 H HN 0.459 nan 8.280 nan 0.000 0.607 500 W N 1.637 122.821 121.300 -0.194 0.000 2.329 500 W HA -0.250 4.411 4.660 0.003 0.000 0.324 500 W C 2.102 178.571 176.519 -0.083 0.000 1.222 500 W CA 1.479 58.689 57.345 -0.226 0.000 1.270 500 W CB -0.655 28.623 29.460 -0.303 0.000 1.167 500 W HN 0.368 nan 8.180 nan 0.000 0.467 501 L N 2.347 123.403 121.223 -0.279 0.000 1.994 501 L HA -0.236 4.106 4.340 0.003 0.000 0.208 501 L C 1.992 178.699 176.870 -0.271 0.000 1.071 501 L CA 2.404 57.021 54.840 -0.371 0.000 0.745 501 L CB -1.431 40.549 42.059 -0.131 0.000 0.892 501 L HN -0.103 nan 8.230 nan 0.000 0.431 502 N N -1.116 117.562 118.700 -0.036 0.000 2.459 502 N HA -0.085 4.657 4.740 0.003 0.000 0.181 502 N C 1.446 177.049 175.510 0.154 0.000 1.046 502 N CA 1.395 54.539 53.050 0.157 0.000 0.904 502 N CB -0.235 38.397 38.487 0.242 0.000 0.964 502 N HN 0.722 nan 8.380 nan 0.000 0.444 503 T N -2.892 111.694 114.554 0.053 0.000 3.518 503 T HA 0.091 4.443 4.350 0.003 0.000 0.211 503 T C 1.580 176.194 174.700 -0.143 0.000 0.940 503 T CA -0.029 62.105 62.100 0.056 0.000 1.307 503 T CB -0.263 68.729 68.868 0.206 0.000 1.392 503 T HN -0.007 nan 8.240 nan 0.000 0.382 504 H N 1.861 120.749 119.070 -0.303 0.000 2.255 504 H HA -0.122 4.436 4.556 0.003 0.000 0.290 504 H C 2.663 177.591 175.328 -0.666 0.000 1.087 504 H CA 2.284 58.007 56.048 -0.542 0.000 1.213 504 H CB -0.680 28.540 29.762 -0.903 0.000 1.349 504 H HN 0.588 nan 8.280 nan 0.000 0.487 505 A N 0.954 123.230 122.820 -0.907 0.000 1.897 505 A HA 0.030 4.351 4.320 0.003 0.000 0.215 505 A C 2.659 179.981 177.584 -0.436 0.000 1.181 505 A CA 1.500 53.109 52.037 -0.713 0.000 0.620 505 A CB -0.730 17.681 19.000 -0.983 0.000 0.821 505 A HN 0.460 nan 8.150 nan 0.000 0.443 506 A N -1.347 121.275 122.820 -0.331 0.000 2.015 506 A HA -0.027 4.294 4.320 0.003 0.000 0.219 506 A C 2.078 179.807 177.584 0.241 0.000 1.163 506 A CA 2.023 54.022 52.037 -0.064 0.000 0.646 506 A CB -0.390 18.643 19.000 0.055 0.000 0.806 506 A HN 0.526 nan 8.150 nan 0.000 0.448 507 M N -0.373 119.331 119.600 0.173 0.000 2.334 507 M HA 0.077 4.559 4.480 0.003 0.000 0.266 507 M C 1.686 178.075 176.300 0.148 0.000 1.082 507 M CA 1.676 57.177 55.300 0.336 0.000 1.141 507 M CB -0.383 32.355 32.600 0.229 0.000 1.380 507 M HN 0.528 nan 8.290 nan 0.000 0.440 508 E N -0.001 120.184 120.200 -0.025 0.000 2.097 508 E HA -0.201 4.151 4.350 0.003 0.000 0.196 508 E C -0.977 175.568 176.600 -0.093 0.000 1.000 508 E CA 1.657 58.022 56.400 -0.060 0.000 0.804 508 E CB -0.913 28.759 29.700 -0.046 0.000 0.740 508 E HN 0.337 nan 8.360 nan 0.000 0.454 509 P HA -0.155 nan 4.420 nan 0.000 0.216 509 P C 0.650 177.845 177.300 -0.174 0.000 1.150 509 P CA 1.295 64.249 63.100 -0.244 0.000 0.837 509 P CB -0.096 31.183 31.700 -0.702 0.000 0.786 510 F N -1.409 118.596 119.950 0.092 0.000 2.259 510 F HA -0.108 4.421 4.527 0.003 0.000 0.298 510 F C 2.269 178.040 175.800 -0.049 0.000 1.088 510 F CA 0.796 58.881 58.000 0.141 0.000 1.358 510 F CB -1.644 37.541 39.000 0.307 0.000 1.040 510 F HN -0.252 nan 8.300 nan 0.000 0.505 511 V N 0.354 120.138 119.914 -0.216 0.000 2.307 511 V HA -0.277 3.845 4.120 0.003 0.000 0.245 511 V C 2.348 178.446 176.094 0.006 0.000 1.045 511 V CA 1.669 63.660 62.300 -0.516 0.000 1.024 511 V CB -0.612 31.001 31.823 -0.351 0.000 0.651 511 V HN 0.265 nan 8.190 nan 0.000 0.449 512 I N 0.635 121.238 120.570 0.054 0.000 2.142 512 I HA -0.256 3.916 4.170 0.003 0.000 0.240 512 I C 2.720 178.898 176.117 0.102 0.000 1.078 512 I CA 1.653 62.986 61.300 0.056 0.000 1.343 512 I CB -0.666 37.181 38.000 -0.256 0.000 1.046 512 I HN 0.286 nan 8.210 nan 0.000 0.405 513 A N 0.325 123.292 122.820 0.244 0.000 1.940 513 A HA -0.220 4.102 4.320 0.003 0.000 0.219 513 A C 2.373 180.318 177.584 0.601 0.000 1.176 513 A CA 2.519 54.825 52.037 0.449 0.000 0.631 513 A CB -1.145 18.068 19.000 0.354 0.000 0.814 513 A HN 0.422 nan 8.150 nan 0.000 0.446 514 T N -0.834 114.045 114.554 0.541 0.000 2.746 514 T HA -0.143 4.208 4.350 0.003 0.000 0.267 514 T C 1.801 176.523 174.700 0.037 0.000 1.039 514 T CA 1.546 63.816 62.100 0.285 0.000 1.142 514 T CB -0.459 68.537 68.868 0.212 0.000 0.866 514 T HN 0.625 nan 8.240 nan 0.000 0.444 515 H N 0.761 119.825 119.070 -0.011 0.000 2.462 515 H HA 0.157 4.714 4.556 0.003 0.000 0.292 515 H C 2.461 177.676 175.328 -0.189 0.000 1.049 515 H CA 0.844 56.753 56.048 -0.231 0.000 1.334 515 H CB 0.095 29.198 29.762 -1.100 0.000 1.404 515 H HN 0.295 nan 8.280 nan 0.000 0.544 516 R N -0.467 120.029 120.500 -0.005 0.000 2.153 516 R HA -0.029 4.313 4.340 0.003 0.000 0.218 516 R C 1.122 177.229 176.300 -0.321 0.000 1.072 516 R CA 0.759 56.792 56.100 -0.112 0.000 0.990 516 R CB 0.293 30.550 30.300 -0.072 0.000 0.889 516 R HN 0.417 nan 8.270 nan 0.000 0.452 517 H N -1.451 117.723 119.070 0.173 0.000 3.457 517 H HA 0.255 4.812 4.556 0.003 0.000 0.255 517 H C -0.114 175.252 175.328 0.063 0.000 1.082 517 H CA 0.037 56.186 56.048 0.169 0.000 1.189 517 H CB 0.983 30.933 29.762 0.312 0.000 1.511 517 H HN -0.039 nan 8.280 nan 0.000 0.527 518 L N 2.050 123.314 121.223 0.068 0.000 2.280 518 L HA 0.259 4.601 4.340 0.003 0.000 0.287 518 L C 0.697 177.531 176.870 -0.060 0.000 1.023 518 L CA -0.500 54.278 54.840 -0.103 0.000 0.819 518 L CB 1.905 43.784 42.059 -0.299 0.000 1.212 518 L HN -0.012 nan 8.230 nan 0.000 0.420 519 S N 1.624 117.266 115.700 -0.096 0.000 2.573 519 S HA 0.058 4.530 4.470 0.003 0.000 0.277 519 S C 1.430 175.694 174.600 -0.559 0.000 1.346 519 S CA -0.455 57.590 58.200 -0.260 0.000 1.034 519 S CB 1.372 64.433 63.200 -0.232 0.000 0.879 519 S HN 0.470 nan 8.310 nan 0.000 0.528 520 V N 3.474 122.905 119.914 -0.806 0.000 2.688 520 V HA -0.108 4.013 4.120 0.003 0.000 0.256 520 V C 1.846 177.636 176.094 -0.507 0.000 1.084 520 V CA 1.762 63.400 62.300 -1.105 0.000 1.103 520 V CB -1.185 30.320 31.823 -0.529 0.000 0.688 520 V HN 0.801 nan 8.190 nan 0.000 0.480 521 L N -0.800 120.191 121.223 -0.387 0.000 2.395 521 L HA 0.123 4.465 4.340 0.003 0.000 0.218 521 L C 1.627 178.406 176.870 -0.151 0.000 1.130 521 L CA 0.360 55.058 54.840 -0.237 0.000 0.826 521 L CB -0.601 41.313 42.059 -0.241 0.000 0.941 521 L HN 0.406 nan 8.230 nan 0.000 0.451 522 H N 2.314 121.267 119.070 -0.194 0.000 2.886 522 H HA 0.015 4.572 4.556 0.003 0.000 0.329 522 H C -1.514 173.749 175.328 -0.109 0.000 1.044 522 H CA -1.366 54.609 56.048 -0.122 0.000 1.456 522 H CB 1.527 31.243 29.762 -0.076 0.000 1.464 522 H HN -0.071 nan 8.280 nan 0.000 0.573 523 P HA -0.159 nan 4.420 nan 0.000 0.218 523 P C 1.516 178.927 177.300 0.186 0.000 1.149 523 P CA 0.858 63.795 63.100 -0.271 0.000 0.817 523 P CB 0.503 31.561 31.700 -1.070 0.000 0.785 524 I N -1.597 119.194 120.570 0.370 0.000 2.500 524 I HA -0.168 4.004 4.170 0.003 0.000 0.252 524 I C 2.617 178.697 176.117 -0.060 0.000 1.142 524 I CA 0.796 62.155 61.300 0.097 0.000 1.451 524 I CB -1.794 36.136 38.000 -0.117 0.000 1.093 524 I HN -0.085 nan 8.210 nan 0.000 0.430 525 Y N 2.658 122.887 120.300 -0.118 0.000 2.145 525 Y HA -0.247 4.305 4.550 0.003 0.000 0.286 525 Y C 2.525 178.349 175.900 -0.126 0.000 1.145 525 Y CA 1.912 59.908 58.100 -0.174 0.000 1.148 525 Y CB -0.145 38.241 38.460 -0.124 0.000 0.981 525 Y HN 0.047 nan 8.280 nan 0.000 0.507 526 K N -0.439 120.092 120.400 0.219 0.000 2.148 526 K HA -0.159 4.163 4.320 0.003 0.000 0.204 526 K C 1.944 178.473 176.600 -0.119 0.000 1.050 526 K CA 1.413 57.790 56.287 0.150 0.000 0.942 526 K CB -0.378 32.333 32.500 0.351 0.000 0.724 526 K HN 0.315 nan 8.250 nan 0.000 0.446 527 L N 1.053 122.165 121.223 -0.184 0.000 2.072 527 L HA -0.097 4.245 4.340 0.003 0.000 0.205 527 L C 1.787 178.513 176.870 -0.239 0.000 1.079 527 L CA 1.533 56.145 54.840 -0.381 0.000 0.752 527 L CB -0.064 41.679 42.059 -0.526 0.000 0.906 527 L HN 0.086 nan 8.230 nan 0.000 0.436 528 L N -1.400 119.652 121.223 -0.285 0.000 2.202 528 L HA -0.029 4.313 4.340 0.003 0.000 0.205 528 L C 2.462 178.854 176.870 -0.796 0.000 1.083 528 L CA 1.071 55.687 54.840 -0.373 0.000 0.790 528 L CB -1.104 40.768 42.059 -0.312 0.000 0.942 528 L HN 0.385 nan 8.230 nan 0.000 0.452 529 T N -2.126 111.957 114.554 -0.786 0.000 2.778 529 T HA -0.103 4.248 4.350 0.003 0.000 0.269 529 T C -0.569 173.823 174.700 -0.513 0.000 1.050 529 T CA 0.804 62.448 62.100 -0.761 0.000 1.137 529 T CB -1.611 66.828 68.868 -0.716 0.000 0.860 529 T HN 0.158 nan 8.240 nan 0.000 0.468 530 P HA -0.057 nan 4.420 nan 0.000 0.220 530 P C 1.090 178.085 177.300 -0.508 0.000 1.148 530 P CA 0.935 63.743 63.100 -0.486 0.000 0.803 530 P CB -0.181 31.137 31.700 -0.636 0.000 0.782 531 H N -2.761 116.137 119.070 -0.286 0.000 2.543 531 H HA 0.103 4.661 4.556 0.003 0.000 0.269 531 H C 0.414 175.758 175.328 0.028 0.000 1.005 531 H CA 0.737 56.696 56.048 -0.148 0.000 1.146 531 H CB -0.012 29.662 29.762 -0.146 0.000 1.353 531 H HN 0.286 nan 8.280 nan 0.000 0.595 532 Y N -0.180 120.159 120.300 0.065 0.000 2.481 532 Y HA 0.190 4.742 4.550 0.003 0.000 0.247 532 Y C 1.330 177.271 175.900 0.068 0.000 1.151 532 Y CA -0.958 57.196 58.100 0.091 0.000 1.238 532 Y CB 0.096 38.631 38.460 0.125 0.000 1.179 532 Y HN -0.076 nan 8.280 nan 0.000 0.524 533 R N 2.347 122.942 120.500 0.158 0.000 2.485 533 R HA -0.153 4.188 4.340 0.003 0.000 0.304 533 R C 0.610 176.977 176.300 0.112 0.000 0.934 533 R CA 0.893 57.061 56.100 0.113 0.000 1.102 533 R CB -0.122 30.204 30.300 0.043 0.000 0.906 533 R HN 0.383 nan 8.270 nan 0.000 0.407 534 N N 1.536 120.306 118.700 0.117 0.000 2.900 534 N HA -0.322 4.420 4.740 0.003 0.000 0.240 534 N C 0.533 176.104 175.510 0.103 0.000 0.953 534 N CA 1.727 54.843 53.050 0.110 0.000 0.950 534 N CB -1.343 37.220 38.487 0.126 0.000 1.102 534 N HN 0.854 nan 8.380 nan 0.000 0.593 535 N N -0.607 118.151 118.700 0.097 0.000 2.058 535 N HA -0.089 4.653 4.740 0.003 0.000 0.191 535 N C 1.684 177.243 175.510 0.082 0.000 1.037 535 N CA 1.555 54.644 53.050 0.064 0.000 0.848 535 N CB -0.110 38.414 38.487 0.061 0.000 1.021 535 N HN 0.358 nan 8.380 nan 0.000 0.422 536 M N 0.313 119.955 119.600 0.070 0.000 2.213 536 M HA -0.142 4.340 4.480 0.003 0.000 0.263 536 M C 1.874 178.199 176.300 0.042 0.000 1.062 536 M CA 1.085 56.410 55.300 0.041 0.000 1.105 536 M CB -0.347 32.250 32.600 -0.004 0.000 1.385 536 M HN 0.252 nan 8.290 nan 0.000 0.417 537 N N 1.231 119.958 118.700 0.046 0.000 2.039 537 N HA -0.153 4.588 4.740 0.003 0.000 0.193 537 N C 1.463 177.024 175.510 0.085 0.000 1.044 537 N CA 1.320 54.397 53.050 0.044 0.000 0.847 537 N CB -0.218 38.302 38.487 0.054 0.000 1.030 537 N HN 0.218 nan 8.380 nan 0.000 0.422 538 I N 0.916 121.562 120.570 0.127 0.000 2.286 538 I HA -0.183 3.988 4.170 0.003 0.000 0.248 538 I C 1.371 177.608 176.117 0.200 0.000 1.115 538 I CA 1.311 62.709 61.300 0.164 0.000 1.392 538 I CB -0.565 37.574 38.000 0.232 0.000 1.065 538 I HN 0.149 nan 8.210 nan 0.000 0.418 539 N N 1.131 119.979 118.700 0.246 0.000 2.120 539 N HA -0.088 4.653 4.740 0.003 0.000 0.188 539 N C 1.917 177.569 175.510 0.237 0.000 1.024 539 N CA 1.656 54.911 53.050 0.342 0.000 0.852 539 N CB -0.634 38.035 38.487 0.303 0.000 1.003 539 N HN 0.519 nan 8.380 nan 0.000 0.424 540 A N 0.731 123.638 122.820 0.144 0.000 1.902 540 A HA -0.042 4.280 4.320 0.003 0.000 0.217 540 A C 2.260 179.846 177.584 0.004 0.000 1.181 540 A CA 0.958 53.076 52.037 0.136 0.000 0.623 540 A CB -0.764 18.306 19.000 0.117 0.000 0.818 540 A HN 0.236 nan 8.150 nan 0.000 0.443 541 L N -0.826 120.383 121.223 -0.024 0.000 2.141 541 L HA -0.164 4.178 4.340 0.003 0.000 0.209 541 L C 3.012 179.786 176.870 -0.160 0.000 1.094 541 L CA 0.871 55.638 54.840 -0.122 0.000 0.763 541 L CB -0.432 41.599 42.059 -0.046 0.000 0.908 541 L HN 0.443 nan 8.230 nan 0.000 0.437 542 A N 0.072 122.849 122.820 -0.072 0.000 1.898 542 A HA -0.157 4.165 4.320 0.003 0.000 0.216 542 A C 2.378 179.828 177.584 -0.223 0.000 1.181 542 A CA 1.118 53.066 52.037 -0.149 0.000 0.620 542 A CB -0.374 18.567 19.000 -0.097 0.000 0.819 542 A HN 0.296 nan 8.150 nan 0.000 0.442 543 R N -0.699 119.736 120.500 -0.108 0.000 2.152 543 R HA -0.159 4.183 4.340 0.003 0.000 0.232 543 R C 2.401 178.567 176.300 -0.224 0.000 1.117 543 R CA 1.520 57.593 56.100 -0.045 0.000 0.981 543 R CB -0.231 30.191 30.300 0.204 0.000 0.870 543 R HN 0.805 nan 8.270 nan 0.000 0.451 544 Q N -0.301 119.134 119.800 -0.609 0.000 2.163 544 Q HA -0.012 4.330 4.340 0.003 0.000 0.198 544 Q C 0.898 176.647 176.000 -0.419 0.000 0.954 544 Q CA 1.307 56.565 55.803 -0.909 0.000 0.851 544 Q CB 0.456 28.316 28.738 -1.463 0.000 0.928 544 Q HN 0.129 nan 8.270 nan 0.000 0.459 545 S N -0.758 114.756 115.700 -0.310 0.000 2.649 545 S HA 0.116 4.587 4.470 0.003 0.000 0.246 545 S C 0.995 175.496 174.600 -0.166 0.000 1.057 545 S CA -0.302 57.778 58.200 -0.200 0.000 1.051 545 S CB 0.557 63.660 63.200 -0.162 0.000 1.018 545 S HN 0.257 nan 8.310 nan 0.000 0.569 546 L N 1.962 123.061 121.223 -0.207 0.000 2.349 546 L HA 0.490 4.832 4.340 0.003 0.000 0.200 546 L C 1.214 177.915 176.870 -0.282 0.000 1.064 546 L CA 1.165 55.875 54.840 -0.217 0.000 0.821 546 L CB 0.012 41.920 42.059 -0.252 0.000 1.027 546 L HN 0.388 nan 8.230 nan 0.000 0.476 547 I N -1.502 118.846 120.570 -0.371 0.000 3.927 547 I HA 0.264 4.435 4.170 0.003 0.000 0.332 547 I C 0.038 175.994 176.117 -0.269 0.000 1.485 547 I CA -0.617 60.437 61.300 -0.410 0.000 1.131 547 I CB -0.583 37.000 38.000 -0.695 0.000 1.092 547 I HN 0.185 nan 8.210 nan 0.000 0.410 548 N N 2.413 120.994 118.700 -0.198 0.000 2.408 548 N HA 0.253 4.994 4.740 0.003 0.000 0.260 548 N C 0.110 175.546 175.510 -0.123 0.000 1.242 548 N CA -0.228 52.743 53.050 -0.131 0.000 0.959 548 N CB 1.000 39.422 38.487 -0.109 0.000 1.201 548 N HN 0.170 nan 8.380 nan 0.000 0.511 549 A N 0.680 123.441 122.820 -0.098 0.000 2.522 549 A HA 0.090 4.411 4.320 0.003 0.000 0.256 549 A C 0.732 178.265 177.584 -0.085 0.000 1.086 549 A CA 0.159 52.137 52.037 -0.098 0.000 0.763 549 A CB -1.186 17.764 19.000 -0.084 0.000 1.024 549 A HN 0.929 nan 8.150 nan 0.000 0.502 550 N N 0.080 118.727 118.700 -0.087 0.000 2.850 550 N HA -0.148 4.594 4.740 0.003 0.000 0.249 550 N C 0.525 175.995 175.510 -0.066 0.000 1.060 550 N CA 1.628 54.636 53.050 -0.070 0.000 0.825 550 N CB -1.427 37.024 38.487 -0.059 0.000 1.132 550 N HN 1.198 nan 8.380 nan 0.000 0.564 551 G N -0.268 108.483 108.800 -0.082 0.000 2.553 551 G HA2 0.429 4.391 3.960 0.003 0.000 0.278 551 G HA3 0.429 4.391 3.960 0.003 0.000 0.278 551 G C 1.473 176.339 174.900 -0.057 0.000 1.349 551 G CA -0.053 44.996 45.100 -0.085 0.000 1.037 551 G HN 0.194 nan 8.290 nan 0.000 0.508 552 I N -0.160 120.381 120.570 -0.049 0.000 2.163 552 I HA -0.186 3.986 4.170 0.003 0.000 0.243 552 I C 2.522 178.667 176.117 0.047 0.000 1.085 552 I CA 0.852 62.153 61.300 0.002 0.000 1.347 552 I CB -0.175 37.833 38.000 0.013 0.000 1.044 552 I HN 0.278 nan 8.210 nan 0.000 0.408 553 I N 0.634 121.213 120.570 0.015 0.000 2.179 553 I HA -0.248 3.923 4.170 0.003 0.000 0.242 553 I C 2.482 178.666 176.117 0.112 0.000 1.088 553 I CA 1.684 63.041 61.300 0.094 0.000 1.357 553 I CB -1.282 36.636 38.000 -0.137 0.000 1.051 553 I HN 0.344 nan 8.210 nan 0.000 0.409 554 E N 0.281 120.476 120.200 -0.008 0.000 2.153 554 E HA -0.186 4.166 4.350 0.003 0.000 0.194 554 E C 1.893 178.496 176.600 0.005 0.000 0.988 554 E CA 1.851 58.240 56.400 -0.018 0.000 0.811 554 E CB -0.060 29.594 29.700 -0.077 0.000 0.746 554 E HN 0.592 nan 8.360 nan 0.000 0.466 555 T N -2.325 112.230 114.554 0.002 0.000 3.081 555 T HA 0.011 4.363 4.350 0.003 0.000 0.250 555 T C 1.750 176.435 174.700 -0.025 0.000 1.100 555 T CA 0.997 63.086 62.100 -0.018 0.000 1.038 555 T CB 0.158 69.008 68.868 -0.031 0.000 0.962 555 T HN 0.137 nan 8.240 nan 0.000 0.516 556 T N -2.161 112.401 114.554 0.013 0.000 2.955 556 T HA 0.423 4.774 4.350 0.003 0.000 0.251 556 T C 0.007 174.571 174.700 -0.228 0.000 1.002 556 T CA -0.538 61.503 62.100 -0.099 0.000 0.970 556 T CB -0.182 68.618 68.868 -0.113 0.000 1.091 556 T HN 0.243 nan 8.240 nan 0.000 0.495 557 F N 1.003 120.936 119.950 -0.027 0.000 2.470 557 F HA 0.571 5.099 4.527 0.003 0.000 0.329 557 F C 1.237 177.039 175.800 0.004 0.000 1.072 557 F CA -1.812 56.183 58.000 -0.008 0.000 0.989 557 F CB 1.565 40.565 39.000 -0.001 0.000 1.193 557 F HN -0.115 nan 8.300 nan 0.000 0.481 558 L N 4.214 125.554 121.223 0.195 0.000 2.030 558 L HA -0.195 4.147 4.340 0.003 0.000 0.222 558 L C -1.033 175.937 176.870 0.166 0.000 1.082 558 L CA 2.385 57.316 54.840 0.152 0.000 0.785 558 L CB -1.377 40.786 42.059 0.175 0.000 0.895 558 L HN 0.474 nan 8.230 nan 0.000 0.439 559 P HA -0.050 nan 4.420 nan 0.000 0.230 559 P C 0.957 178.344 177.300 0.145 0.000 1.158 559 P CA 1.022 64.233 63.100 0.184 0.000 0.769 559 P CB 0.106 31.871 31.700 0.110 0.000 0.807 560 S N 0.659 116.406 115.700 0.079 0.000 3.938 560 S HA -0.303 4.169 4.470 0.003 0.000 0.624 560 S C 1.528 176.070 174.600 -0.095 0.000 2.186 560 S CA 2.230 60.426 58.200 -0.007 0.000 4.144 560 S CB -1.595 61.594 63.200 -0.017 0.000 0.230 560 S HN 0.413 nan 8.310 nan 0.000 0.755 561 K N 0.508 120.770 120.400 -0.231 0.000 2.519 561 K HA -0.078 4.244 4.320 0.003 0.000 0.196 561 K C 1.291 177.663 176.600 -0.381 0.000 1.041 561 K CA 2.047 58.129 56.287 -0.342 0.000 0.954 561 K CB -0.396 31.840 32.500 -0.440 0.000 0.774 561 K HN 0.641 nan 8.250 nan 0.000 0.480 562 Y N 1.126 121.411 120.300 -0.026 0.000 2.457 562 Y HA 0.210 4.762 4.550 0.003 0.000 0.263 562 Y C 2.119 177.927 175.900 -0.153 0.000 1.164 562 Y CA -0.367 57.717 58.100 -0.027 0.000 1.274 562 Y CB 0.435 38.944 38.460 0.082 0.000 1.097 562 Y HN 0.049 nan 8.280 nan 0.000 0.523 563 S N 0.114 115.785 115.700 -0.048 0.000 2.365 563 S HA -0.199 4.273 4.470 0.003 0.000 0.221 563 S C 2.184 176.667 174.600 -0.196 0.000 1.037 563 S CA 2.024 60.144 58.200 -0.133 0.000 1.060 563 S CB -0.739 62.381 63.200 -0.134 0.000 0.974 563 S HN 0.267 nan 8.310 nan 0.000 0.427 564 V N 2.927 122.710 119.914 -0.219 0.000 2.358 564 V HA -0.199 3.923 4.120 0.003 0.000 0.246 564 V C 2.508 178.459 176.094 -0.238 0.000 1.047 564 V CA 2.025 64.165 62.300 -0.266 0.000 1.035 564 V CB -1.147 30.468 31.823 -0.345 0.000 0.658 564 V HN 0.706 nan 8.190 nan 0.000 0.452 565 E N 0.341 120.426 120.200 -0.191 0.000 2.153 565 E HA -0.244 4.108 4.350 0.003 0.000 0.194 565 E C 2.132 178.738 176.600 0.010 0.000 0.988 565 E CA 1.517 57.864 56.400 -0.088 0.000 0.811 565 E CB -0.460 29.249 29.700 0.015 0.000 0.746 565 E HN 0.515 nan 8.360 nan 0.000 0.466 566 M N 1.717 121.199 119.600 -0.196 0.000 2.149 566 M HA -0.160 4.321 4.480 0.003 0.000 0.261 566 M C 2.573 178.810 176.300 -0.105 0.000 1.064 566 M CA 2.002 57.076 55.300 -0.377 0.000 1.102 566 M CB -0.371 31.842 32.600 -0.646 0.000 1.369 566 M HN 0.321 nan 8.290 nan 0.000 0.408 567 S N -1.039 114.635 115.700 -0.044 0.000 2.423 567 S HA -0.115 4.357 4.470 0.003 0.000 0.231 567 S C 1.921 176.701 174.600 0.299 0.000 1.014 567 S CA 1.468 59.728 58.200 0.101 0.000 0.965 567 S CB -0.463 62.842 63.200 0.174 0.000 0.785 567 S HN 0.460 nan 8.310 nan 0.000 0.495 568 S N 1.901 117.781 115.700 0.299 0.000 2.368 568 S HA 0.095 4.567 4.470 0.003 0.000 0.224 568 S C 2.149 176.994 174.600 0.408 0.000 1.029 568 S CA 1.046 59.515 58.200 0.449 0.000 0.988 568 S CB -0.893 62.492 63.200 0.307 0.000 0.838 568 S HN 0.772 nan 8.310 nan 0.000 0.462 569 A N 0.850 123.860 122.820 0.316 0.000 1.902 569 A HA -0.008 4.313 4.320 0.003 0.000 0.217 569 A C 2.316 180.049 177.584 0.249 0.000 1.181 569 A CA 1.814 54.018 52.037 0.279 0.000 0.623 569 A CB -1.026 18.159 19.000 0.308 0.000 0.818 569 A HN 0.465 nan 8.150 nan 0.000 0.443 570 V N -1.498 118.553 119.914 0.229 0.000 2.515 570 V HA -0.238 3.884 4.120 0.003 0.000 0.250 570 V C 2.324 178.588 176.094 0.284 0.000 1.058 570 V CA 1.857 64.293 62.300 0.226 0.000 1.064 570 V CB -0.978 30.940 31.823 0.158 0.000 0.675 570 V HN 0.730 nan 8.190 nan 0.000 0.461 571 Y N 1.472 121.881 120.300 0.182 0.000 2.403 571 Y HA -0.192 4.359 4.550 0.003 0.000 0.291 571 Y C 2.285 178.341 175.900 0.259 0.000 1.143 571 Y CA 1.327 59.540 58.100 0.188 0.000 1.257 571 Y CB -0.301 38.214 38.460 0.091 0.000 0.984 571 Y HN 0.224 nan 8.280 nan 0.000 0.550 572 K N -0.014 120.501 120.400 0.191 0.000 2.218 572 K HA -0.206 4.116 4.320 0.003 0.000 0.205 572 K C 0.954 177.602 176.600 0.080 0.000 1.046 572 K CA 1.840 58.191 56.287 0.107 0.000 0.933 572 K CB -0.308 32.279 32.500 0.145 0.000 0.728 572 K HN 0.527 nan 8.250 nan 0.000 0.454 573 N N -0.773 117.991 118.700 0.107 0.000 2.230 573 N HA 0.003 4.745 4.740 0.003 0.000 0.202 573 N C -0.595 174.936 175.510 0.035 0.000 1.119 573 N CA -0.482 52.614 53.050 0.077 0.000 0.851 573 N CB 0.249 38.791 38.487 0.092 0.000 0.990 573 N HN 0.181 nan 8.380 nan 0.000 0.497 574 W N 1.998 123.194 121.300 -0.174 0.000 2.253 574 W HA 0.311 4.973 4.660 0.003 0.000 0.322 574 W C -0.831 175.406 176.519 -0.469 0.000 1.342 574 W CA -0.145 57.067 57.345 -0.223 0.000 1.218 574 W CB 0.531 29.913 29.460 -0.130 0.000 1.205 574 W HN -0.338 nan 8.180 nan 0.000 0.551 575 V N 9.864 129.019 119.914 -1.265 0.000 2.443 575 V HA 0.066 4.187 4.120 0.003 0.000 0.293 575 V C 0.554 175.464 176.094 -1.973 0.000 1.021 575 V CA -0.859 60.236 62.300 -2.009 0.000 0.848 575 V CB 0.778 31.666 31.823 -1.558 0.000 0.998 575 V HN 0.726 nan 8.190 nan 0.000 0.424 576 F N 4.421 123.018 119.950 -2.256 0.000 2.087 576 F HA -0.255 4.274 4.527 0.003 0.000 0.299 576 F C 2.482 177.872 175.800 -0.684 0.000 1.100 576 F CA 2.843 60.059 58.000 -1.308 0.000 1.226 576 F CB -0.094 38.542 39.000 -0.606 0.000 0.983 576 F HN 0.625 nan 8.300 nan 0.000 0.479 577 T N -3.032 111.170 114.554 -0.586 0.000 3.007 577 T HA -0.111 4.241 4.350 0.003 0.000 0.270 577 T C 1.335 175.757 174.700 -0.464 0.000 1.107 577 T CA 1.180 63.033 62.100 -0.413 0.000 1.118 577 T CB -0.467 68.323 68.868 -0.130 0.000 0.889 577 T HN 0.208 nan 8.240 nan 0.000 0.506 578 D N 0.976 121.016 120.400 -0.600 0.000 2.340 578 D HA 0.045 4.687 4.640 0.003 0.000 0.220 578 D C 1.930 177.984 176.300 -0.410 0.000 1.039 578 D CA 0.242 53.960 54.000 -0.471 0.000 0.866 578 D CB 0.049 40.560 40.800 -0.480 0.000 0.913 578 D HN 0.359 nan 8.370 nan 0.000 0.523 579 Q N 0.230 119.753 119.800 -0.461 0.000 2.389 579 Q HA 0.145 4.487 4.340 0.003 0.000 0.204 579 Q C 0.687 176.587 176.000 -0.168 0.000 0.944 579 Q CA 0.058 55.718 55.803 -0.237 0.000 0.908 579 Q CB -0.086 28.535 28.738 -0.196 0.000 1.002 579 Q HN 0.137 nan 8.270 nan 0.000 0.493 580 A N 1.279 123.902 122.820 -0.328 0.000 2.511 580 A HA 0.069 4.391 4.320 0.003 0.000 0.242 580 A C 1.226 178.231 177.584 -0.965 0.000 1.069 580 A CA -0.222 51.490 52.037 -0.540 0.000 0.763 580 A CB 0.165 18.972 19.000 -0.323 0.000 1.001 580 A HN 0.266 nan 8.150 nan 0.000 0.498 581 L N 4.097 124.249 121.223 -1.785 0.000 2.012 581 L HA -0.055 4.287 4.340 0.003 0.000 0.210 581 L C -0.794 175.485 176.870 -0.985 0.000 1.073 581 L CA 2.548 56.577 54.840 -1.351 0.000 0.748 581 L CB -1.219 39.786 42.059 -1.758 0.000 0.891 581 L HN 0.533 nan 8.230 nan 0.000 0.431 582 P HA -0.137 nan 4.420 nan 0.000 0.215 582 P C 1.590 178.638 177.300 -0.419 0.000 1.157 582 P CA 2.004 64.729 63.100 -0.625 0.000 0.863 582 P CB -0.199 31.192 31.700 -0.515 0.000 0.787 583 A N -0.015 122.555 122.820 -0.417 0.000 1.883 583 A HA -0.278 4.044 4.320 0.003 0.000 0.217 583 A C 2.216 179.646 177.584 -0.256 0.000 1.186 583 A CA 2.382 54.244 52.037 -0.291 0.000 0.624 583 A CB -1.743 17.084 19.000 -0.289 0.000 0.822 583 A HN 0.201 nan 8.150 nan 0.000 0.444 584 D N -0.179 120.048 120.400 -0.288 0.000 2.104 584 D HA -0.149 4.493 4.640 0.003 0.000 0.194 584 D C 1.815 178.037 176.300 -0.130 0.000 0.994 584 D CA 1.560 55.450 54.000 -0.184 0.000 0.830 584 D CB -0.252 40.465 40.800 -0.139 0.000 0.959 584 D HN 0.431 nan 8.370 nan 0.000 0.452 585 L N -0.034 121.083 121.223 -0.177 0.000 2.046 585 L HA -0.121 4.220 4.340 0.003 0.000 0.208 585 L C 2.640 179.465 176.870 -0.074 0.000 1.077 585 L CA 0.796 55.567 54.840 -0.116 0.000 0.747 585 L CB -0.420 41.522 42.059 -0.196 0.000 0.896 585 L HN 0.183 nan 8.230 nan 0.000 0.432 586 I N -0.187 120.315 120.570 -0.113 0.000 2.252 586 I HA -0.281 3.891 4.170 0.003 0.000 0.245 586 I C 2.709 178.788 176.117 -0.063 0.000 1.102 586 I CA 1.224 62.476 61.300 -0.080 0.000 1.385 586 I CB -0.285 37.656 38.000 -0.099 0.000 1.064 586 I HN 0.232 nan 8.210 nan 0.000 0.414 587 K N 1.354 121.704 120.400 -0.084 0.000 2.097 587 K HA -0.141 4.180 4.320 0.003 0.000 0.206 587 K C 2.041 178.617 176.600 -0.040 0.000 1.049 587 K CA 1.341 57.584 56.287 -0.074 0.000 0.933 587 K CB 0.017 32.453 32.500 -0.106 0.000 0.717 587 K HN 0.223 nan 8.250 nan 0.000 0.442 588 R N -0.627 119.861 120.500 -0.019 0.000 2.313 588 R HA 0.029 4.371 4.340 0.003 0.000 0.199 588 R C 0.726 177.054 176.300 0.047 0.000 0.958 588 R CA 0.562 56.673 56.100 0.018 0.000 1.047 588 R CB 0.195 30.525 30.300 0.051 0.000 0.955 588 R HN 0.501 nan 8.270 nan 0.000 0.481 589 G N 1.147 109.966 108.800 0.031 0.000 2.198 589 G HA2 -0.274 3.688 3.960 0.003 0.000 0.260 589 G HA3 -0.274 3.688 3.960 0.003 0.000 0.260 589 G C 0.606 175.591 174.900 0.141 0.000 1.025 589 G CA 0.521 45.648 45.100 0.044 0.000 0.769 589 G HN 0.346 nan 8.290 nan 0.000 0.507 590 V N -4.347 115.668 119.914 0.169 0.000 3.578 590 V HA 0.821 4.942 4.120 0.003 0.000 0.290 590 V C 0.809 177.001 176.094 0.164 0.000 1.376 590 V CA 0.859 63.318 62.300 0.266 0.000 1.083 590 V CB 0.062 32.066 31.823 0.301 0.000 0.911 590 V HN 1.966 nan 8.190 nan 0.000 0.433 591 A N 1.086 123.953 122.820 0.078 0.000 2.610 591 A HA 0.884 5.206 4.320 0.003 0.000 0.291 591 A C -1.282 176.302 177.584 -0.001 0.000 1.086 591 A CA -0.396 51.654 52.037 0.022 0.000 0.677 591 A CB 1.822 20.798 19.000 -0.040 0.000 1.278 591 A HN 0.971 nan 8.150 nan 0.000 0.414 592 I N -1.885 118.680 120.570 -0.010 0.000 2.828 592 I HA 0.675 4.847 4.170 0.003 0.000 0.302 592 I C -0.266 175.834 176.117 -0.028 0.000 1.101 592 I CA -0.886 60.403 61.300 -0.018 0.000 1.031 592 I CB 1.849 39.845 38.000 -0.006 0.000 1.231 592 I HN 0.647 nan 8.210 nan 0.000 0.427 593 K N 1.944 122.325 120.400 -0.033 0.000 2.412 593 K HA 0.189 4.511 4.320 0.003 0.000 0.281 593 K C -1.044 175.543 176.600 -0.021 0.000 1.027 593 K CA 0.349 56.616 56.287 -0.033 0.000 0.989 593 K CB 0.298 32.779 32.500 -0.032 0.000 0.935 593 K HN 0.834 nan 8.250 nan 0.000 0.475 594 D N 5.683 126.072 120.400 -0.018 0.000 2.337 594 D HA 0.227 4.869 4.640 0.003 0.000 0.238 594 D C -2.278 174.015 176.300 -0.012 0.000 1.331 594 D CA -1.942 52.051 54.000 -0.012 0.000 0.967 594 D CB 1.679 42.474 40.800 -0.009 0.000 1.382 594 D HN 0.214 nan 8.370 nan 0.000 0.549 595 P HA -0.132 nan 4.420 nan 0.000 0.218 595 P C 1.224 178.515 177.300 -0.015 0.000 1.146 595 P CA 1.050 64.144 63.100 -0.011 0.000 0.813 595 P CB 0.216 31.911 31.700 -0.008 0.000 0.778 596 S N -2.081 113.610 115.700 -0.015 0.000 2.603 596 S HA -0.010 4.461 4.470 0.003 0.000 0.229 596 S C 0.839 175.422 174.600 -0.027 0.000 0.972 596 S CA 0.326 58.516 58.200 -0.018 0.000 0.935 596 S CB -1.459 61.733 63.200 -0.013 0.000 0.769 596 S HN 0.227 nan 8.310 nan 0.000 0.536 597 T N -1.752 112.783 114.554 -0.031 0.000 2.929 597 T HA 0.553 4.905 4.350 0.003 0.000 0.284 597 T C -2.071 172.576 174.700 -0.089 0.000 1.014 597 T CA -1.919 60.152 62.100 -0.049 0.000 1.051 597 T CB 1.227 70.079 68.868 -0.026 0.000 1.028 597 T HN -0.159 nan 8.240 nan 0.000 0.485 598 P HA -0.164 nan 4.420 nan 0.000 0.216 598 P C 1.069 178.175 177.300 -0.322 0.000 1.157 598 P CA 1.339 64.254 63.100 -0.309 0.000 0.880 598 P CB -0.014 31.382 31.700 -0.508 0.000 0.791 599 H N -2.880 116.187 119.070 -0.006 0.000 2.551 599 H HA 0.321 4.879 4.556 0.003 0.000 0.271 599 H C 1.545 176.860 175.328 -0.022 0.000 0.984 599 H CA 0.955 57.001 56.048 -0.004 0.000 1.164 599 H CB -0.050 29.693 29.762 -0.031 0.000 1.437 599 H HN 0.194 nan 8.280 nan 0.000 0.550 600 G N 1.131 109.956 108.800 0.042 0.000 2.179 600 G HA2 -0.287 3.674 3.960 0.003 0.000 0.260 600 G HA3 -0.287 3.674 3.960 0.003 0.000 0.260 600 G C 0.344 175.241 174.900 -0.006 0.000 0.977 600 G CA 0.520 45.628 45.100 0.014 0.000 0.641 600 G HN 0.487 nan 8.290 nan 0.000 0.533 601 V N -3.336 116.578 119.914 0.001 0.000 2.971 601 V HA 0.869 4.990 4.120 0.003 0.000 0.309 601 V C -0.237 175.851 176.094 -0.010 0.000 1.130 601 V CA -1.129 61.154 62.300 -0.029 0.000 0.964 601 V CB 1.984 33.756 31.823 -0.085 0.000 1.029 601 V HN 0.562 nan 8.190 nan 0.000 0.427 602 R N 3.493 123.985 120.500 -0.013 0.000 2.343 602 R HA 0.668 5.009 4.340 0.003 0.000 0.320 602 R C -1.120 175.181 176.300 0.002 0.000 0.956 602 R CA -0.774 55.326 56.100 0.000 0.000 0.836 602 R CB 1.404 31.706 30.300 0.004 0.000 1.151 602 R HN 0.920 nan 8.270 nan 0.000 0.450 603 L N 6.069 127.295 121.223 0.005 0.000 2.380 603 L HA 0.120 4.461 4.340 0.003 0.000 0.273 603 L C 1.333 178.234 176.870 0.051 0.000 1.138 603 L CA -0.217 54.636 54.840 0.022 0.000 0.832 603 L CB 0.997 43.065 42.059 0.014 0.000 1.124 603 L HN 0.709 nan 8.230 nan 0.000 0.454 604 L N 4.017 125.295 121.223 0.093 0.000 2.418 604 L HA 0.124 4.466 4.340 0.003 0.000 0.218 604 L C 0.509 177.430 176.870 0.084 0.000 1.125 604 L CA 0.740 55.659 54.840 0.131 0.000 0.835 604 L CB 0.063 42.272 42.059 0.249 0.000 0.953 604 L HN 0.530 nan 8.230 nan 0.000 0.454 605 I N 0.320 120.891 120.570 0.002 0.000 2.405 605 I HA 0.022 4.194 4.170 0.003 0.000 0.280 605 I C 1.249 177.359 176.117 -0.012 0.000 1.027 605 I CA -0.192 61.034 61.300 -0.123 0.000 1.161 605 I CB 1.520 39.310 38.000 -0.350 0.000 1.300 605 I HN 0.139 nan 8.210 nan 0.000 0.463 606 E N 3.066 123.256 120.200 -0.015 0.000 2.110 606 E HA -0.226 4.126 4.350 0.003 0.000 0.193 606 E C 0.420 177.032 176.600 0.019 0.000 0.988 606 E CA 1.059 57.464 56.400 0.009 0.000 0.804 606 E CB 0.114 29.816 29.700 0.004 0.000 0.745 606 E HN 0.464 nan 8.360 nan 0.000 0.458 607 D N 0.174 120.575 120.400 0.002 0.000 2.781 607 D HA 0.008 4.649 4.640 0.003 0.000 0.254 607 D C -1.635 174.681 176.300 0.026 0.000 1.213 607 D CA -0.610 53.397 54.000 0.011 0.000 0.994 607 D CB -0.349 40.448 40.800 -0.006 0.000 1.019 607 D HN 0.139 nan 8.370 nan 0.000 0.514 608 Y N 2.405 122.636 120.300 -0.114 0.000 2.700 608 Y HA 0.371 4.922 4.550 0.002 0.000 0.333 608 Y C -1.908 173.907 175.900 -0.141 0.000 1.036 608 Y CA -2.992 55.024 58.100 -0.140 0.000 1.287 608 Y CB 1.185 39.565 38.460 -0.133 0.000 1.132 608 Y HN 0.134 nan 8.280 nan 0.000 0.510 609 P HA -0.275 nan 4.420 nan 0.000 0.215 609 P C 1.353 178.546 177.300 -0.178 0.000 1.157 609 P CA 1.822 64.825 63.100 -0.163 0.000 0.874 609 P CB -0.101 31.303 31.700 -0.493 0.000 0.790 610 Y N 0.690 120.818 120.300 -0.287 0.000 2.145 610 Y HA -0.197 4.354 4.550 0.003 0.000 0.286 610 Y C 2.324 178.139 175.900 -0.142 0.000 1.145 610 Y CA 1.755 59.813 58.100 -0.071 0.000 1.148 610 Y CB -1.171 37.322 38.460 0.055 0.000 0.981 610 Y HN -0.118 nan 8.280 nan 0.000 0.507 611 A N 0.679 123.024 122.820 -0.792 0.000 1.898 611 A HA -0.025 4.297 4.320 0.003 0.000 0.216 611 A C 2.443 179.706 177.584 -0.534 0.000 1.181 611 A CA 1.840 53.309 52.037 -0.945 0.000 0.620 611 A CB -1.498 16.724 19.000 -1.295 0.000 0.819 611 A HN 0.644 nan 8.150 nan 0.000 0.442 612 A N 0.127 122.757 122.820 -0.317 0.000 1.873 612 A HA -0.151 4.171 4.320 0.003 0.000 0.215 612 A C 1.751 179.268 177.584 -0.112 0.000 1.186 612 A CA 1.920 53.860 52.037 -0.162 0.000 0.616 612 A CB -0.570 18.401 19.000 -0.049 0.000 0.823 612 A HN 0.436 nan 8.150 nan 0.000 0.442 613 D N -0.336 120.040 120.400 -0.039 0.000 2.149 613 D HA -0.019 4.623 4.640 0.003 0.000 0.201 613 D C 2.077 178.388 176.300 0.019 0.000 0.972 613 D CA 1.330 55.365 54.000 0.060 0.000 0.835 613 D CB -0.729 40.206 40.800 0.225 0.000 0.966 613 D HN 0.410 nan 8.370 nan 0.000 0.476 614 G N 0.746 109.490 108.800 -0.094 0.000 2.440 614 G HA2 -0.215 3.746 3.960 0.003 0.000 0.218 614 G HA3 -0.215 3.746 3.960 0.003 0.000 0.218 614 G C 1.697 176.528 174.900 -0.115 0.000 1.154 614 G CA 0.325 45.410 45.100 -0.025 0.000 0.767 614 G HN 0.258 nan 8.290 nan 0.000 0.552 615 L N 0.196 121.218 121.223 -0.336 0.000 2.131 615 L HA -0.043 4.298 4.340 0.003 0.000 0.210 615 L C 2.922 179.580 176.870 -0.353 0.000 1.092 615 L CA 0.835 55.373 54.840 -0.503 0.000 0.759 615 L CB -0.222 41.336 42.059 -0.835 0.000 0.903 615 L HN 0.146 nan 8.230 nan 0.000 0.435 616 E N 0.165 120.264 120.200 -0.168 0.000 2.047 616 E HA -0.169 4.183 4.350 0.003 0.000 0.191 616 E C 2.287 178.963 176.600 0.127 0.000 0.987 616 E CA 1.106 57.526 56.400 0.033 0.000 0.799 616 E CB -0.115 29.626 29.700 0.068 0.000 0.752 616 E HN 0.386 nan 8.360 nan 0.000 0.449 617 I N 0.580 121.261 120.570 0.184 0.000 2.252 617 I HA -0.231 3.941 4.170 0.003 0.000 0.245 617 I C 2.408 178.741 176.117 0.361 0.000 1.102 617 I CA 0.856 62.331 61.300 0.291 0.000 1.385 617 I CB -1.201 37.025 38.000 0.377 0.000 1.064 617 I HN 0.313 nan 8.210 nan 0.000 0.414 618 W N 2.656 124.019 121.300 0.106 0.000 2.335 618 W HA -0.249 4.412 4.660 0.002 0.000 0.311 618 W C 2.474 178.987 176.519 -0.010 0.000 1.213 618 W CA 2.274 59.579 57.345 -0.067 0.000 1.274 618 W CB -0.159 28.988 29.460 -0.522 0.000 1.148 618 W HN 0.141 nan 8.180 nan 0.000 0.498 619 A N 1.028 123.935 122.820 0.144 0.000 1.933 619 A HA -0.057 4.265 4.320 0.003 0.000 0.218 619 A C 2.213 179.838 177.584 0.069 0.000 1.175 619 A CA 2.677 54.776 52.037 0.104 0.000 0.628 619 A CB -1.298 17.859 19.000 0.262 0.000 0.814 619 A HN 0.341 nan 8.150 nan 0.000 0.444 620 A N 0.047 122.959 122.820 0.154 0.000 1.877 620 A HA -0.081 4.240 4.320 0.003 0.000 0.216 620 A C 2.108 179.837 177.584 0.242 0.000 1.186 620 A CA 1.536 53.724 52.037 0.252 0.000 0.620 620 A CB -0.622 18.572 19.000 0.322 0.000 0.822 620 A HN 0.495 nan 8.150 nan 0.000 0.443 621 I N -0.574 120.095 120.570 0.166 0.000 2.226 621 I HA -0.266 3.906 4.170 0.003 0.000 0.245 621 I C 2.523 178.525 176.117 -0.193 0.000 1.100 621 I CA 1.814 63.090 61.300 -0.039 0.000 1.374 621 I CB -0.257 37.735 38.000 -0.013 0.000 1.057 621 I HN 0.367 nan 8.210 nan 0.000 0.413 622 K N 0.698 120.917 120.400 -0.302 0.000 2.032 622 K HA -0.194 4.128 4.320 0.003 0.000 0.209 622 K C 2.104 178.614 176.600 -0.149 0.000 1.048 622 K CA 2.091 58.181 56.287 -0.327 0.000 0.927 622 K CB -0.129 32.138 32.500 -0.388 0.000 0.712 622 K HN 0.215 nan 8.250 nan 0.000 0.441 623 T N 0.752 115.279 114.554 -0.046 0.000 2.720 623 T HA -0.208 4.144 4.350 0.003 0.000 0.268 623 T C 1.202 175.946 174.700 0.073 0.000 1.037 623 T CA 1.476 63.595 62.100 0.032 0.000 1.144 623 T CB -0.378 68.548 68.868 0.096 0.000 0.864 623 T HN 0.541 nan 8.240 nan 0.000 0.444 624 W N 1.612 122.792 121.300 -0.199 0.000 2.355 624 W HA -0.173 4.489 4.660 0.002 0.000 0.309 624 W C 1.725 178.155 176.519 -0.148 0.000 1.206 624 W CA 0.600 57.784 57.345 -0.268 0.000 1.284 624 W CB -0.439 28.493 29.460 -0.880 0.000 1.145 624 W HN 0.037 nan 8.180 nan 0.000 0.502 625 V N 1.723 121.377 119.914 -0.434 0.000 2.343 625 V HA -0.327 3.794 4.120 0.003 0.000 0.247 625 V C 2.428 178.374 176.094 -0.247 0.000 1.051 625 V CA 2.276 64.276 62.300 -0.501 0.000 1.036 625 V CB -1.097 30.502 31.823 -0.373 0.000 0.654 625 V HN 0.259 nan 8.190 nan 0.000 0.451 626 Q N -0.538 119.172 119.800 -0.150 0.000 2.291 626 Q HA -0.234 4.108 4.340 0.003 0.000 0.205 626 Q C 2.246 178.224 176.000 -0.036 0.000 0.970 626 Q CA 1.611 57.368 55.803 -0.077 0.000 0.876 626 Q CB -0.020 28.686 28.738 -0.053 0.000 0.935 626 Q HN 0.752 nan 8.270 nan 0.000 0.455 627 E N -0.660 119.533 120.200 -0.012 0.000 2.276 627 E HA -0.131 4.221 4.350 0.003 0.000 0.193 627 E C 1.431 178.052 176.600 0.035 0.000 0.983 627 E CA 0.119 56.546 56.400 0.045 0.000 0.861 627 E CB 0.108 29.895 29.700 0.144 0.000 0.817 627 E HN 0.346 nan 8.360 nan 0.000 0.485 628 Y N 0.525 120.698 120.300 -0.212 0.000 2.176 628 Y HA -0.140 4.411 4.550 0.003 0.000 0.291 628 Y C 2.039 177.921 175.900 -0.030 0.000 1.122 628 Y CA 1.406 59.376 58.100 -0.217 0.000 1.128 628 Y CB -0.277 37.767 38.460 -0.694 0.000 1.005 628 Y HN -0.129 nan 8.280 nan 0.000 0.509 629 V N 1.467 121.429 119.914 0.079 0.000 2.278 629 V HA -0.298 3.823 4.120 0.003 0.000 0.251 629 V C -0.522 175.637 176.094 0.108 0.000 1.062 629 V CA 2.613 64.987 62.300 0.125 0.000 1.038 629 V CB -1.888 29.958 31.823 0.039 0.000 0.646 629 V HN 0.317 nan 8.190 nan 0.000 0.447 630 P HA -0.110 nan 4.420 nan 0.000 0.221 630 P C 1.704 178.922 177.300 -0.137 0.000 1.145 630 P CA 1.177 64.263 63.100 -0.024 0.000 0.795 630 P CB -0.099 31.579 31.700 -0.036 0.000 0.775 631 L N -3.303 117.749 121.223 -0.285 0.000 2.275 631 L HA -0.117 4.225 4.340 0.003 0.000 0.215 631 L C 1.447 177.766 176.870 -0.919 0.000 1.119 631 L CA 1.387 55.860 54.840 -0.612 0.000 0.790 631 L CB -0.531 41.026 42.059 -0.835 0.000 0.919 631 L HN 0.076 nan 8.230 nan 0.000 0.443 632 Y N -3.063 117.093 120.300 -0.240 0.000 2.423 632 Y HA 0.206 4.758 4.550 0.003 0.000 0.257 632 Y C -0.305 175.252 175.900 -0.572 0.000 1.087 632 Y CA -0.773 57.091 58.100 -0.394 0.000 1.258 632 Y CB 0.517 38.705 38.460 -0.453 0.000 1.237 632 Y HN -0.101 nan 8.280 nan 0.000 0.517 633 Y N -0.884 119.409 120.300 -0.013 0.000 2.329 633 Y HA 0.607 5.158 4.550 0.003 0.000 0.328 633 Y C 0.639 176.517 175.900 -0.036 0.000 0.992 633 Y CA -1.163 56.933 58.100 -0.006 0.000 1.151 633 Y CB 1.573 40.045 38.460 0.019 0.000 1.150 633 Y HN -0.044 nan 8.280 nan 0.000 0.450 634 A N 3.793 126.652 122.820 0.065 0.000 1.935 634 A HA 0.234 4.556 4.320 0.003 0.000 0.214 634 A C 0.862 178.473 177.584 0.045 0.000 1.178 634 A CA 0.769 52.821 52.037 0.025 0.000 0.640 634 A CB 0.186 19.179 19.000 -0.011 0.000 0.825 634 A HN 0.719 nan 8.150 nan 0.000 0.447 635 R N -1.462 119.080 120.500 0.070 0.000 2.855 635 R HA 0.334 4.675 4.340 0.003 0.000 0.266 635 R C -0.690 175.654 176.300 0.074 0.000 1.034 635 R CA -0.655 55.479 56.100 0.057 0.000 0.944 635 R CB 0.593 30.917 30.300 0.039 0.000 1.219 635 R HN -0.016 nan 8.270 nan 0.000 0.474 636 D N 1.046 121.474 120.400 0.047 0.000 2.182 636 D HA -0.147 4.495 4.640 0.003 0.000 0.201 636 D C 0.677 177.013 176.300 0.059 0.000 0.986 636 D CA 1.715 55.739 54.000 0.040 0.000 0.847 636 D CB -0.008 40.806 40.800 0.025 0.000 0.942 636 D HN 0.486 nan 8.370 nan 0.000 0.467 637 D N 0.689 121.125 120.400 0.061 0.000 2.178 637 D HA -0.109 4.533 4.640 0.003 0.000 0.201 637 D C 1.433 177.792 176.300 0.099 0.000 0.980 637 D CA 0.759 54.799 54.000 0.067 0.000 0.842 637 D CB -0.116 40.715 40.800 0.051 0.000 0.948 637 D HN 0.159 nan 8.370 nan 0.000 0.472 638 D N -0.175 120.303 120.400 0.131 0.000 2.264 638 D HA -0.075 4.567 4.640 0.003 0.000 0.208 638 D C 2.017 178.516 176.300 0.331 0.000 0.966 638 D CA 0.379 54.498 54.000 0.198 0.000 0.864 638 D CB 0.130 41.051 40.800 0.202 0.000 0.933 638 D HN 0.156 nan 8.370 nan 0.000 0.499 639 V N 0.880 120.935 119.914 0.235 0.000 2.379 639 V HA -0.144 3.978 4.120 0.003 0.000 0.243 639 V C 2.430 178.601 176.094 0.128 0.000 1.035 639 V CA 1.137 63.511 62.300 0.123 0.000 1.035 639 V CB -0.329 31.459 31.823 -0.058 0.000 0.673 639 V HN 0.108 nan 8.190 nan 0.000 0.457 640 K N 0.790 121.252 120.400 0.103 0.000 2.147 640 K HA -0.172 4.150 4.320 0.003 0.000 0.205 640 K C 1.491 178.164 176.600 0.121 0.000 1.049 640 K CA 2.041 58.386 56.287 0.098 0.000 0.936 640 K CB -0.250 32.294 32.500 0.074 0.000 0.722 640 K HN 0.576 nan 8.250 nan 0.000 0.446 641 N N 0.710 119.488 118.700 0.131 0.000 2.398 641 N HA -0.059 4.683 4.740 0.003 0.000 0.188 641 N C -0.581 175.019 175.510 0.151 0.000 1.122 641 N CA -0.205 52.920 53.050 0.124 0.000 0.866 641 N CB 0.276 38.821 38.487 0.095 0.000 0.970 641 N HN 0.154 nan 8.380 nan 0.000 0.462 642 D N 0.583 121.109 120.400 0.210 0.000 2.352 642 D HA 0.039 4.681 4.640 0.003 0.000 0.245 642 D C 0.817 177.259 176.300 0.237 0.000 1.224 642 D CA 0.140 54.291 54.000 0.252 0.000 0.879 642 D CB 1.119 42.161 40.800 0.403 0.000 1.057 642 D HN -0.064 nan 8.370 nan 0.000 0.491 643 S N 3.519 119.327 115.700 0.179 0.000 2.370 643 S HA -0.178 4.293 4.470 0.003 0.000 0.226 643 S C 1.525 176.230 174.600 0.176 0.000 1.033 643 S CA 1.281 59.575 58.200 0.157 0.000 1.011 643 S CB 0.089 63.308 63.200 0.032 0.000 0.852 643 S HN 0.579 nan 8.310 nan 0.000 0.457 644 E N -0.076 120.228 120.200 0.174 0.000 2.072 644 E HA -0.102 4.250 4.350 0.003 0.000 0.191 644 E C 2.032 178.793 176.600 0.269 0.000 0.985 644 E CA 1.106 57.624 56.400 0.196 0.000 0.801 644 E CB -0.216 29.592 29.700 0.181 0.000 0.750 644 E HN 0.343 nan 8.360 nan 0.000 0.452 645 L N 1.197 122.589 121.223 0.283 0.000 2.083 645 L HA -0.214 4.128 4.340 0.003 0.000 0.209 645 L C 2.111 179.253 176.870 0.454 0.000 1.083 645 L CA 1.682 56.724 54.840 0.337 0.000 0.752 645 L CB -0.244 42.006 42.059 0.318 0.000 0.899 645 L HN 0.065 nan 8.230 nan 0.000 0.433 646 Q N -1.251 118.762 119.800 0.355 0.000 2.123 646 Q HA -0.183 4.159 4.340 0.003 0.000 0.199 646 Q C 2.243 178.373 176.000 0.217 0.000 0.966 646 Q CA 1.539 57.516 55.803 0.290 0.000 0.845 646 Q CB -0.454 28.426 28.738 0.236 0.000 0.907 646 Q HN 0.606 nan 8.270 nan 0.000 0.439 647 H N -0.988 118.127 119.070 0.075 0.000 2.389 647 H HA -0.122 4.436 4.556 0.003 0.000 0.299 647 H C 1.473 176.649 175.328 -0.253 0.000 1.081 647 H CA 1.374 57.327 56.048 -0.159 0.000 1.345 647 H CB -0.384 29.258 29.762 -0.201 0.000 1.393 647 H HN 0.359 nan 8.280 nan 0.000 0.520 648 W N 0.505 121.804 121.300 -0.002 0.000 2.332 648 W HA -0.245 4.417 4.660 0.002 0.000 0.321 648 W C 2.384 178.991 176.519 0.146 0.000 1.219 648 W CA 1.567 58.984 57.345 0.121 0.000 1.277 648 W CB -0.925 28.656 29.460 0.203 0.000 1.161 648 W HN 0.321 nan 8.180 nan 0.000 0.476 649 W N 1.936 123.101 121.300 -0.226 0.000 2.358 649 W HA -0.249 4.413 4.660 0.003 0.000 0.303 649 W C 2.313 178.582 176.519 -0.417 0.000 1.208 649 W CA 2.016 59.032 57.345 -0.548 0.000 1.274 649 W CB -0.550 28.741 29.460 -0.281 0.000 1.138 649 W HN -0.021 nan 8.180 nan 0.000 0.515 650 K N 0.733 120.975 120.400 -0.262 0.000 2.103 650 K HA -0.273 4.049 4.320 0.003 0.000 0.207 650 K C 2.011 178.326 176.600 -0.474 0.000 1.048 650 K CA 1.967 58.023 56.287 -0.385 0.000 0.930 650 K CB -0.423 31.911 32.500 -0.277 0.000 0.716 650 K HN 0.167 nan 8.250 nan 0.000 0.444 651 E N -0.426 119.534 120.200 -0.399 0.000 2.112 651 E HA -0.100 4.252 4.350 0.003 0.000 0.190 651 E C 1.802 178.125 176.600 -0.461 0.000 0.979 651 E CA 0.682 56.883 56.400 -0.331 0.000 0.814 651 E CB -0.050 29.599 29.700 -0.086 0.000 0.762 651 E HN 0.408 nan 8.360 nan 0.000 0.460 652 A N 0.591 123.084 122.820 -0.546 0.000 1.908 652 A HA -0.172 4.150 4.320 0.003 0.000 0.218 652 A C 2.329 179.407 177.584 -0.844 0.000 1.181 652 A CA 1.688 53.341 52.037 -0.639 0.000 0.627 652 A CB -0.642 17.928 19.000 -0.717 0.000 0.818 652 A HN 0.221 nan 8.150 nan 0.000 0.445 653 V N -0.304 118.927 119.914 -1.138 0.000 2.302 653 V HA -0.176 3.946 4.120 0.003 0.000 0.243 653 V C 2.299 177.906 176.094 -0.811 0.000 1.036 653 V CA 1.992 63.509 62.300 -1.305 0.000 1.020 653 V CB -0.841 29.911 31.823 -1.786 0.000 0.657 653 V HN 0.622 nan 8.190 nan 0.000 0.453 654 E N -0.255 119.553 120.200 -0.654 0.000 2.274 654 E HA -0.129 4.223 4.350 0.003 0.000 0.194 654 E C 1.913 178.282 176.600 -0.385 0.000 0.996 654 E CA 0.683 56.817 56.400 -0.442 0.000 0.840 654 E CB 0.116 29.600 29.700 -0.360 0.000 0.772 654 E HN 0.425 nan 8.360 nan 0.000 0.491 655 K N -0.680 119.419 120.400 -0.502 0.000 2.309 655 K HA 0.119 4.440 4.320 0.003 0.000 0.210 655 K C 2.111 178.259 176.600 -0.753 0.000 1.114 655 K CA 0.820 56.746 56.287 -0.602 0.000 0.912 655 K CB -0.819 31.228 32.500 -0.754 0.000 1.198 655 K HN 0.105 nan 8.250 nan 0.000 0.471 656 G N 1.760 110.011 108.800 -0.916 0.000 2.446 656 G HA2 -0.217 3.745 3.960 0.003 0.000 0.217 656 G HA3 -0.217 3.745 3.960 0.003 0.000 0.217 656 G C 0.940 175.492 174.900 -0.580 0.000 1.168 656 G CA 0.933 45.599 45.100 -0.724 0.000 0.771 656 G HN 0.304 nan 8.290 nan 0.000 0.551 657 H N 0.277 119.127 119.070 -0.365 0.000 2.481 657 H HA 0.257 4.815 4.556 0.003 0.000 0.273 657 H C 2.097 177.406 175.328 -0.031 0.000 1.145 657 H CA 0.180 56.184 56.048 -0.074 0.000 0.964 657 H CB 0.393 30.252 29.762 0.162 0.000 1.722 657 H HN 0.323 nan 8.280 nan 0.000 0.573 658 G N 0.398 109.143 108.800 -0.092 0.000 2.462 658 G HA2 -0.234 3.727 3.960 0.003 0.000 0.220 658 G HA3 -0.234 3.727 3.960 0.003 0.000 0.220 658 G C 1.210 176.127 174.900 0.030 0.000 1.121 658 G CA 0.424 45.467 45.100 -0.096 0.000 0.758 658 G HN 0.325 nan 8.290 nan 0.000 0.559 659 D N 0.095 120.579 120.400 0.139 0.000 2.348 659 D HA 0.011 4.653 4.640 0.003 0.000 0.216 659 D C 1.874 178.296 176.300 0.203 0.000 0.970 659 D CA 0.455 54.566 54.000 0.185 0.000 0.889 659 D CB 0.186 41.155 40.800 0.281 0.000 0.912 659 D HN 0.341 nan 8.370 nan 0.000 0.524 660 L N 0.578 121.959 121.223 0.264 0.000 2.910 660 L HA 0.161 4.503 4.340 0.003 0.000 0.252 660 L C 1.893 178.914 176.870 0.251 0.000 1.195 660 L CA -0.145 54.859 54.840 0.274 0.000 1.003 660 L CB 0.295 42.620 42.059 0.444 0.000 1.328 660 L HN -0.065 nan 8.230 nan 0.000 0.540 661 K N -0.121 120.335 120.400 0.093 0.000 2.362 661 K HA -0.155 4.166 4.320 0.003 0.000 0.200 661 K C 1.072 177.642 176.600 -0.050 0.000 1.046 661 K CA 1.447 57.696 56.287 -0.063 0.000 0.952 661 K CB -0.127 32.274 32.500 -0.165 0.000 0.753 661 K HN 0.312 nan 8.250 nan 0.000 0.466 662 D N 0.884 121.269 120.400 -0.024 0.000 2.355 662 D HA -0.055 4.586 4.640 0.003 0.000 0.218 662 D C -0.176 176.065 176.300 -0.098 0.000 1.004 662 D CA 0.242 54.214 54.000 -0.047 0.000 0.880 662 D CB 0.076 40.863 40.800 -0.022 0.000 0.911 662 D HN -0.013 nan 8.370 nan 0.000 0.528 663 K N 1.948 122.231 120.400 -0.196 0.000 2.270 663 K HA 0.152 4.474 4.320 0.003 0.000 0.276 663 K C -1.372 174.915 176.600 -0.521 0.000 1.023 663 K CA -1.619 54.366 56.287 -0.502 0.000 0.955 663 K CB 1.252 33.065 32.500 -1.145 0.000 0.975 663 K HN 0.012 nan 8.250 nan 0.000 0.471 664 P HA -0.055 nan 4.420 nan 0.000 0.236 664 P C 0.749 177.993 177.300 -0.094 0.000 1.177 664 P CA 0.766 63.762 63.100 -0.173 0.000 0.773 664 P CB 0.058 31.727 31.700 -0.053 0.000 0.878 665 W N -1.826 119.470 121.300 -0.006 0.000 2.937 665 W HA 0.115 4.777 4.660 0.003 0.000 0.245 665 W C -0.167 176.369 176.519 0.029 0.000 1.306 665 W CA -1.010 56.308 57.345 -0.044 0.000 1.470 665 W CB -1.518 27.846 29.460 -0.160 0.000 1.132 665 W HN -0.198 nan 8.180 nan 0.000 0.675 666 W N 3.861 125.247 121.300 0.143 0.000 2.264 666 W HA 0.185 4.847 4.660 0.003 0.000 0.331 666 W C -1.748 174.956 176.519 0.309 0.000 1.364 666 W CA -1.371 56.146 57.345 0.286 0.000 1.253 666 W CB -0.163 29.313 29.460 0.027 0.000 1.215 666 W HN -0.385 nan 8.180 nan 0.000 0.561 667 P HA -0.012 nan 4.420 nan 0.000 0.272 667 P C 0.516 178.043 177.300 0.378 0.000 1.223 667 P CA -0.096 63.243 63.100 0.398 0.000 0.784 667 P CB 0.859 32.726 31.700 0.278 0.000 0.923 668 K N 1.504 122.022 120.400 0.197 0.000 2.262 668 K HA 0.086 4.408 4.320 0.003 0.000 0.200 668 K C 0.630 177.270 176.600 0.066 0.000 1.049 668 K CA 0.079 56.465 56.287 0.166 0.000 0.979 668 K CB -0.577 31.989 32.500 0.109 0.000 0.773 668 K HN 0.323 nan 8.250 nan 0.000 0.474 669 L N 1.657 122.836 121.223 -0.074 0.000 3.548 669 L HA -0.194 4.148 4.340 0.003 0.000 0.443 669 L C -0.068 176.778 176.870 -0.041 0.000 1.286 669 L CA 0.552 55.296 54.840 -0.161 0.000 0.863 669 L CB -0.880 40.972 42.059 -0.346 0.000 1.734 669 L HN 0.171 nan 8.230 nan 0.000 0.873 670 Q N -0.856 118.938 119.800 -0.011 0.000 2.171 670 Q HA 0.405 4.747 4.340 0.003 0.000 0.218 670 Q C 0.808 176.810 176.000 0.004 0.000 0.822 670 Q CA 0.890 56.702 55.803 0.015 0.000 0.987 670 Q CB 1.007 29.765 28.738 0.033 0.000 1.144 670 Q HN 0.776 nan 8.270 nan 0.000 0.494 671 T N -4.107 110.434 114.554 -0.022 0.000 2.864 671 T HA 0.528 4.879 4.350 0.003 0.000 0.299 671 T C 0.995 175.660 174.700 -0.057 0.000 1.166 671 T CA -0.716 61.371 62.100 -0.022 0.000 1.007 671 T CB 0.859 69.721 68.868 -0.010 0.000 1.219 671 T HN -0.058 nan 8.240 nan 0.000 0.506 672 L N 0.405 121.601 121.223 -0.045 0.000 2.083 672 L HA -0.011 4.331 4.340 0.003 0.000 0.209 672 L C 2.937 179.765 176.870 -0.070 0.000 1.083 672 L CA 1.718 56.518 54.840 -0.067 0.000 0.752 672 L CB -0.515 41.528 42.059 -0.026 0.000 0.899 672 L HN 0.896 nan 8.230 nan 0.000 0.433 673 E N 0.501 120.674 120.200 -0.044 0.000 2.038 673 E HA -0.277 4.075 4.350 0.003 0.000 0.195 673 E C 1.671 178.242 176.600 -0.048 0.000 1.000 673 E CA 1.866 58.244 56.400 -0.037 0.000 0.803 673 E CB 0.091 29.782 29.700 -0.016 0.000 0.750 673 E HN 0.400 nan 8.360 nan 0.000 0.448 674 D N 0.126 120.493 120.400 -0.054 0.000 2.144 674 D HA -0.148 4.493 4.640 0.003 0.000 0.199 674 D C 1.845 178.065 176.300 -0.133 0.000 0.984 674 D CA 0.511 54.466 54.000 -0.074 0.000 0.834 674 D CB -0.201 40.552 40.800 -0.079 0.000 0.955 674 D HN 0.155 nan 8.370 nan 0.000 0.465 675 L N 0.284 121.418 121.223 -0.148 0.000 2.017 675 L HA -0.114 4.228 4.340 0.003 0.000 0.208 675 L C 2.133 178.928 176.870 -0.126 0.000 1.073 675 L CA 1.353 56.091 54.840 -0.169 0.000 0.745 675 L CB -0.597 41.319 42.059 -0.237 0.000 0.894 675 L HN -0.087 nan 8.230 nan 0.000 0.432 676 V N -0.028 119.818 119.914 -0.114 0.000 2.295 676 V HA -0.312 3.810 4.120 0.003 0.000 0.246 676 V C 2.594 178.627 176.094 -0.101 0.000 1.049 676 V CA 1.999 64.232 62.300 -0.112 0.000 1.024 676 V CB -0.676 31.087 31.823 -0.101 0.000 0.648 676 V HN 0.624 nan 8.190 nan 0.000 0.447 677 E N 0.120 120.281 120.200 -0.066 0.000 2.023 677 E HA -0.226 4.126 4.350 0.003 0.000 0.196 677 E C 2.240 178.851 176.600 0.018 0.000 1.003 677 E CA 2.103 58.490 56.400 -0.022 0.000 0.809 677 E CB -0.137 29.575 29.700 0.019 0.000 0.755 677 E HN 0.368 nan 8.360 nan 0.000 0.449 678 V N 0.673 120.603 119.914 0.026 0.000 2.287 678 V HA -0.353 3.769 4.120 0.003 0.000 0.248 678 V C 2.600 178.784 176.094 0.150 0.000 1.053 678 V CA 1.852 64.227 62.300 0.124 0.000 1.027 678 V CB -0.484 31.172 31.823 -0.279 0.000 0.646 678 V HN 0.569 nan 8.190 nan 0.000 0.447 679 C N -0.688 118.640 119.300 0.047 0.000 2.440 679 C HA -0.087 4.375 4.460 0.003 0.000 0.278 679 C C 2.626 177.588 174.990 -0.047 0.000 1.295 679 C CA 0.930 59.959 59.018 0.020 0.000 1.738 679 C CB -1.002 26.695 27.740 -0.071 0.000 1.987 679 C HN 0.634 nan 8.230 nan 0.000 0.492 680 L N 1.128 122.281 121.223 -0.117 0.000 2.017 680 L HA -0.068 4.274 4.340 0.003 0.000 0.208 680 L C 2.180 178.983 176.870 -0.111 0.000 1.073 680 L CA 1.939 56.636 54.840 -0.238 0.000 0.745 680 L CB -0.705 41.105 42.059 -0.415 0.000 0.894 680 L HN 0.323 nan 8.230 nan 0.000 0.432 681 I N -0.827 119.747 120.570 0.007 0.000 2.252 681 I HA -0.307 3.864 4.170 0.003 0.000 0.245 681 I C 2.454 178.684 176.117 0.188 0.000 1.102 681 I CA 1.499 62.870 61.300 0.118 0.000 1.385 681 I CB -0.271 37.601 38.000 -0.214 0.000 1.064 681 I HN 0.251 nan 8.210 nan 0.000 0.414 682 I N 0.768 121.444 120.570 0.176 0.000 2.226 682 I HA -0.311 3.861 4.170 0.003 0.000 0.245 682 I C 2.434 178.646 176.117 0.158 0.000 1.100 682 I CA 1.709 63.135 61.300 0.209 0.000 1.374 682 I CB -0.204 37.925 38.000 0.216 0.000 1.057 682 I HN 0.159 nan 8.210 nan 0.000 0.413 683 I N -0.357 120.228 120.570 0.025 0.000 2.315 683 I HA -0.301 3.871 4.170 0.003 0.000 0.248 683 I C 2.425 178.548 176.117 0.009 0.000 1.117 683 I CA 1.162 62.354 61.300 -0.180 0.000 1.404 683 I CB -0.458 37.316 38.000 -0.377 0.000 1.071 683 I HN 0.532 nan 8.210 nan 0.000 0.419 684 W N 2.302 123.607 121.300 0.009 0.000 2.355 684 W HA -0.199 4.463 4.660 0.003 0.000 0.309 684 W C 2.225 178.861 176.519 0.195 0.000 1.206 684 W CA 1.524 58.958 57.345 0.150 0.000 1.284 684 W CB -0.279 29.378 29.460 0.328 0.000 1.145 684 W HN 0.047 nan 8.180 nan 0.000 0.502 685 I N 1.588 122.230 120.570 0.121 0.000 2.163 685 I HA -0.310 3.862 4.170 0.003 0.000 0.243 685 I C 2.776 178.919 176.117 0.044 0.000 1.085 685 I CA 1.849 63.188 61.300 0.066 0.000 1.347 685 I CB -1.015 37.144 38.000 0.264 0.000 1.044 685 I HN -0.029 nan 8.210 nan 0.000 0.408 686 A N 0.233 123.117 122.820 0.106 0.000 1.969 686 A HA -0.153 4.169 4.320 0.003 0.000 0.218 686 A C 2.351 180.007 177.584 0.120 0.000 1.169 686 A CA 2.051 54.164 52.037 0.127 0.000 0.635 686 A CB -0.457 18.676 19.000 0.222 0.000 0.810 686 A HN 0.550 nan 8.150 nan 0.000 0.445 687 S N -0.936 114.808 115.700 0.073 0.000 2.650 687 S HA 0.449 4.921 4.470 0.003 0.000 0.182 687 S C 2.179 176.789 174.600 0.015 0.000 0.832 687 S CA 0.738 59.004 58.200 0.109 0.000 0.860 687 S CB -0.893 62.397 63.200 0.151 0.000 0.818 687 S HN 0.785 nan 8.310 nan 0.000 0.600 688 A N 1.400 124.113 122.820 -0.179 0.000 1.902 688 A HA 0.108 4.430 4.320 0.003 0.000 0.217 688 A C 2.290 179.601 177.584 -0.455 0.000 1.181 688 A CA 1.631 53.472 52.037 -0.326 0.000 0.623 688 A CB -1.086 17.635 19.000 -0.466 0.000 0.818 688 A HN 0.540 nan 8.150 nan 0.000 0.443 689 L N -0.645 120.097 121.223 -0.801 0.000 1.994 689 L HA -0.191 4.150 4.340 0.003 0.000 0.208 689 L C 2.441 179.259 176.870 -0.087 0.000 1.071 689 L CA 2.734 57.326 54.840 -0.412 0.000 0.745 689 L CB -0.842 40.981 42.059 -0.392 0.000 0.892 689 L HN 0.647 nan 8.230 nan 0.000 0.431 690 H N -0.456 118.555 119.070 -0.098 0.000 2.353 690 H HA -0.142 4.416 4.556 0.003 0.000 0.300 690 H C 1.899 177.243 175.328 0.027 0.000 1.090 690 H CA 1.561 57.604 56.048 -0.007 0.000 1.327 690 H CB 0.218 29.989 29.762 0.015 0.000 1.383 690 H HN 0.484 nan 8.280 nan 0.000 0.508 691 A N 1.287 124.143 122.820 0.060 0.000 1.908 691 A HA -0.109 4.213 4.320 0.003 0.000 0.218 691 A C 2.716 180.359 177.584 0.099 0.000 1.181 691 A CA 1.880 54.059 52.037 0.238 0.000 0.627 691 A CB -1.113 18.080 19.000 0.321 0.000 0.818 691 A HN 0.585 nan 8.150 nan 0.000 0.445 692 A N -0.309 122.542 122.820 0.053 0.000 1.972 692 A HA 0.030 4.351 4.320 0.003 0.000 0.219 692 A C 2.126 179.711 177.584 0.002 0.000 1.169 692 A CA 2.057 54.146 52.037 0.086 0.000 0.635 692 A CB -0.873 18.284 19.000 0.261 0.000 0.810 692 A HN 1.202 nan 8.150 nan 0.000 0.446 693 V N -2.847 117.015 119.914 -0.087 0.000 3.590 693 V HA 0.131 4.253 4.120 0.003 0.000 0.265 693 V C 1.441 177.413 176.094 -0.204 0.000 1.239 693 V CA 1.610 63.881 62.300 -0.048 0.000 1.117 693 V CB -0.709 31.108 31.823 -0.010 0.000 0.818 693 V HN 0.493 nan 8.190 nan 0.000 0.451 694 N N 0.326 118.719 118.700 -0.511 0.000 2.428 694 N HA 0.171 4.912 4.740 0.003 0.000 0.181 694 N C 1.204 176.349 175.510 -0.608 0.000 1.028 694 N CA 0.790 53.358 53.050 -0.804 0.000 0.877 694 N CB -0.105 37.568 38.487 -1.357 0.000 1.064 694 N HN 0.368 nan 8.380 nan 0.000 0.434 695 F N 0.012 119.882 119.950 -0.133 0.000 2.802 695 F HA 0.313 4.841 4.527 0.003 0.000 0.300 695 F C 1.964 177.800 175.800 0.060 0.000 1.168 695 F CA 0.452 58.411 58.000 -0.068 0.000 1.433 695 F CB -0.114 38.812 39.000 -0.125 0.000 1.115 695 F HN 0.151 nan 8.300 nan 0.000 0.582 696 G N -1.187 107.724 108.800 0.185 0.000 3.189 696 G HA2 0.012 3.974 3.960 0.003 0.000 0.225 696 G HA3 0.012 3.974 3.960 0.003 0.000 0.225 696 G C 1.317 176.374 174.900 0.262 0.000 1.159 696 G CA -0.111 45.222 45.100 0.390 0.000 0.763 696 G HN 0.264 nan 8.290 nan 0.000 0.549 697 Q N -0.515 119.366 119.800 0.135 0.000 2.020 697 Q HA -0.173 4.168 4.340 0.003 0.000 0.202 697 Q C 1.958 178.038 176.000 0.133 0.000 0.982 697 Q CA 1.448 57.320 55.803 0.115 0.000 0.838 697 Q CB -0.205 28.609 28.738 0.126 0.000 0.899 697 Q HN 0.598 nan 8.270 nan 0.000 0.423 698 Y N 0.810 121.147 120.300 0.062 0.000 2.286 698 Y HA -0.045 4.507 4.550 0.003 0.000 0.293 698 Y C -0.978 174.916 175.900 -0.010 0.000 1.124 698 Y CA 0.695 58.818 58.100 0.038 0.000 1.178 698 Y CB -0.579 37.917 38.460 0.061 0.000 1.010 698 Y HN 0.069 nan 8.280 nan 0.000 0.536 699 P HA -0.197 nan 4.420 nan 0.000 0.216 699 P C 0.697 177.752 177.300 -0.409 0.000 1.153 699 P CA 2.035 65.001 63.100 -0.224 0.000 0.858 699 P CB -0.116 31.247 31.700 -0.561 0.000 0.789 700 Y N -2.051 118.163 120.300 -0.144 0.000 2.441 700 Y HA 0.278 4.829 4.550 0.002 0.000 0.288 700 Y C 2.527 178.303 175.900 -0.206 0.000 1.118 700 Y CA 1.082 59.095 58.100 -0.146 0.000 1.215 700 Y CB -0.968 37.456 38.460 -0.060 0.000 1.118 700 Y HN -0.123 nan 8.280 nan 0.000 0.547 701 G N -0.979 107.791 108.800 -0.050 0.000 3.042 701 G HA2 0.052 4.013 3.960 0.003 0.000 0.212 701 G HA3 0.052 4.013 3.960 0.003 0.000 0.212 701 G C 1.806 176.504 174.900 -0.336 0.000 1.166 701 G CA 0.539 45.549 45.100 -0.151 0.000 0.767 701 G HN 0.456 nan 8.290 nan 0.000 0.546 702 G N 0.219 108.660 108.800 -0.598 0.000 2.535 702 G HA2 0.048 4.010 3.960 0.003 0.000 0.218 702 G HA3 0.048 4.010 3.960 0.003 0.000 0.218 702 G C 0.524 175.069 174.900 -0.592 0.000 1.122 702 G CA 0.182 44.675 45.100 -1.011 0.000 0.769 702 G HN 0.397 nan 8.290 nan 0.000 0.549 703 L N 0.706 121.652 121.223 -0.463 0.000 2.277 703 L HA 0.509 4.851 4.340 0.003 0.000 0.284 703 L C 1.173 177.753 176.870 -0.484 0.000 1.028 703 L CA -0.763 53.811 54.840 -0.443 0.000 0.835 703 L CB 1.262 43.040 42.059 -0.469 0.000 1.215 703 L HN -0.033 nan 8.230 nan 0.000 0.425 704 I N 4.324 124.623 120.570 -0.451 0.000 2.335 704 I HA -0.241 3.931 4.170 0.003 0.000 0.251 704 I C 1.775 177.633 176.117 -0.431 0.000 1.129 704 I CA 1.725 62.798 61.300 -0.378 0.000 1.402 704 I CB 0.037 37.863 38.000 -0.290 0.000 1.069 704 I HN 0.821 nan 8.210 nan 0.000 0.424 705 M N -0.298 118.904 119.600 -0.663 0.000 2.296 705 M HA -0.142 4.340 4.480 0.003 0.000 0.265 705 M C 1.930 177.736 176.300 -0.823 0.000 1.064 705 M CA 1.435 56.270 55.300 -0.773 0.000 1.109 705 M CB -0.688 30.971 32.600 -1.567 0.000 1.396 705 M HN 0.254 nan 8.290 nan 0.000 0.430 706 N N 0.225 118.432 118.700 -0.821 0.000 2.333 706 N HA -0.019 4.723 4.740 0.003 0.000 0.178 706 N C -0.040 175.380 175.510 -0.149 0.000 1.018 706 N CA 0.828 53.638 53.050 -0.400 0.000 0.882 706 N CB 0.454 38.762 38.487 -0.298 0.000 0.984 706 N HN -0.017 nan 8.380 nan 0.000 0.434 707 R N 0.649 121.032 120.500 -0.194 0.000 2.681 707 R HA 0.328 4.669 4.340 0.003 0.000 0.277 707 R C -2.693 173.525 176.300 -0.136 0.000 1.563 707 R CA -1.718 54.316 56.100 -0.110 0.000 1.673 707 R CB 0.882 31.131 30.300 -0.084 0.000 1.258 707 R HN 0.274 nan 8.270 nan 0.000 0.650 708 P HA 0.009 nan 4.420 nan 0.000 0.268 708 P C 0.770 177.974 177.300 -0.160 0.000 1.204 708 P CA 0.267 63.259 63.100 -0.180 0.000 0.768 708 P CB 0.889 32.466 31.700 -0.205 0.000 0.842 709 T N -0.323 114.075 114.554 -0.260 0.000 3.065 709 T HA 0.450 4.802 4.350 0.003 0.000 0.252 709 T C 0.599 175.163 174.700 -0.227 0.000 1.099 709 T CA 0.131 61.989 62.100 -0.403 0.000 1.063 709 T CB 0.090 68.359 68.868 -0.999 0.000 0.948 709 T HN 0.623 nan 8.240 nan 0.000 0.506 710 A N 0.926 123.646 122.820 -0.167 0.000 2.612 710 A HA 0.717 5.038 4.320 0.003 0.000 0.293 710 A C -0.785 176.741 177.584 -0.096 0.000 1.075 710 A CA -0.786 51.199 52.037 -0.087 0.000 0.680 710 A CB 1.312 20.253 19.000 -0.099 0.000 1.279 710 A HN 0.588 nan 8.150 nan 0.000 0.411 711 S N 0.061 115.739 115.700 -0.037 0.000 2.526 711 S HA 0.709 5.180 4.470 0.003 0.000 0.293 711 S C -0.080 174.528 174.600 0.013 0.000 1.092 711 S CA -0.865 57.313 58.200 -0.037 0.000 0.980 711 S CB 1.903 65.137 63.200 0.056 0.000 1.048 711 S HN 0.715 nan 8.310 nan 0.000 0.483 712 R N 0.489 120.989 120.500 0.001 0.000 2.476 712 R HA 0.281 4.623 4.340 0.003 0.000 0.276 712 R C 0.286 176.605 176.300 0.033 0.000 0.941 712 R CA -0.084 56.021 56.100 0.008 0.000 1.088 712 R CB 0.432 30.720 30.300 -0.021 0.000 1.216 712 R HN 0.826 nan 8.270 nan 0.000 0.533 713 R N -0.320 120.228 120.500 0.080 0.000 2.692 713 R HA 0.366 4.708 4.340 0.003 0.000 0.269 713 R C -1.119 175.290 176.300 0.182 0.000 1.030 713 R CA -0.833 55.321 56.100 0.091 0.000 0.882 713 R CB 0.967 31.315 30.300 0.080 0.000 1.250 713 R HN -0.157 nan 8.270 nan 0.000 0.465 714 L N 1.176 122.447 121.223 0.080 0.000 2.567 714 L HA 0.437 4.779 4.340 0.003 0.000 0.238 714 L C 0.479 177.493 176.870 0.240 0.000 1.168 714 L CA -1.304 53.559 54.840 0.039 0.000 0.817 714 L CB 0.357 42.320 42.059 -0.160 0.000 1.409 714 L HN 0.418 nan 8.230 nan 0.000 0.502 715 L N 1.887 123.290 121.223 0.300 0.000 2.456 715 L HA 0.151 4.492 4.340 0.003 0.000 0.272 715 L C -1.816 175.183 176.870 0.216 0.000 1.189 715 L CA -1.471 53.537 54.840 0.280 0.000 0.846 715 L CB 0.088 42.295 42.059 0.246 0.000 1.111 715 L HN 0.394 nan 8.230 nan 0.000 0.475 716 P HA 0.119 nan 4.420 nan 0.000 0.274 716 P C -0.923 176.550 177.300 0.289 0.000 1.231 716 P CA -0.488 62.745 63.100 0.221 0.000 0.790 716 P CB 0.909 32.737 31.700 0.214 0.000 0.951 717 E N 1.683 122.009 120.200 0.210 0.000 2.313 717 E HA 0.170 4.521 4.350 0.003 0.000 0.272 717 E C 0.165 176.804 176.600 0.065 0.000 1.038 717 E CA -0.528 55.956 56.400 0.139 0.000 0.863 717 E CB 1.065 30.810 29.700 0.075 0.000 1.060 717 E HN 0.352 nan 8.360 nan 0.000 0.402 718 K N -0.197 120.097 120.400 -0.176 0.000 2.440 718 K HA 0.144 4.466 4.320 0.003 0.000 0.270 718 K C 0.855 177.290 176.600 -0.276 0.000 0.980 718 K CA 0.874 56.788 56.287 -0.622 0.000 0.953 718 K CB 0.193 32.353 32.500 -0.567 0.000 0.925 718 K HN 0.794 nan 8.250 nan 0.000 0.497 719 G N 1.035 109.677 108.800 -0.263 0.000 2.160 719 G HA2 -0.260 3.702 3.960 0.003 0.000 0.244 719 G HA3 -0.260 3.702 3.960 0.003 0.000 0.244 719 G C 0.017 174.914 174.900 -0.005 0.000 1.022 719 G CA 0.575 45.621 45.100 -0.090 0.000 0.741 719 G HN 0.748 nan 8.290 nan 0.000 0.508 720 T N -3.652 110.933 114.554 0.053 0.000 2.916 720 T HA 0.787 5.138 4.350 0.003 0.000 0.292 720 T C -1.114 173.659 174.700 0.121 0.000 1.055 720 T CA -0.996 61.156 62.100 0.086 0.000 1.009 720 T CB 3.154 72.082 68.868 0.100 0.000 1.118 720 T HN -0.097 nan 8.240 nan 0.000 0.497 721 P HA -0.069 nan 4.420 nan 0.000 0.218 721 P C 0.925 178.289 177.300 0.107 0.000 1.149 721 P CA 1.168 64.322 63.100 0.090 0.000 0.817 721 P CB 0.202 31.940 31.700 0.065 0.000 0.785 722 E N -0.940 119.329 120.200 0.114 0.000 2.110 722 E HA -0.186 4.166 4.350 0.003 0.000 0.193 722 E C 2.086 178.765 176.600 0.130 0.000 0.988 722 E CA 1.010 57.477 56.400 0.110 0.000 0.804 722 E CB -1.215 28.551 29.700 0.111 0.000 0.745 722 E HN 0.337 nan 8.360 nan 0.000 0.458 723 Y N 1.483 121.819 120.300 0.060 0.000 2.200 723 Y HA -0.154 4.398 4.550 0.003 0.000 0.290 723 Y C 1.882 177.817 175.900 0.057 0.000 1.137 723 Y CA 1.335 59.473 58.100 0.063 0.000 1.163 723 Y CB 0.247 38.741 38.460 0.056 0.000 0.988 723 Y HN -0.059 nan 8.280 nan 0.000 0.518 724 E N 0.408 120.758 120.200 0.249 0.000 2.153 724 E HA -0.257 4.095 4.350 0.003 0.000 0.194 724 E C 2.029 178.674 176.600 0.076 0.000 0.988 724 E CA 1.401 57.899 56.400 0.163 0.000 0.811 724 E CB -0.339 29.438 29.700 0.128 0.000 0.746 724 E HN 0.692 nan 8.360 nan 0.000 0.466 725 E N 0.269 120.506 120.200 0.061 0.000 2.110 725 E HA -0.136 4.216 4.350 0.003 0.000 0.193 725 E C 2.045 178.655 176.600 0.016 0.000 0.988 725 E CA 0.762 57.185 56.400 0.039 0.000 0.804 725 E CB -0.001 29.726 29.700 0.045 0.000 0.745 725 E HN 0.200 nan 8.360 nan 0.000 0.458 726 M N 0.176 119.757 119.600 -0.031 0.000 2.213 726 M HA -0.153 4.329 4.480 0.003 0.000 0.263 726 M C 2.141 178.422 176.300 -0.031 0.000 1.062 726 M CA 1.192 56.459 55.300 -0.054 0.000 1.105 726 M CB -0.132 32.349 32.600 -0.198 0.000 1.385 726 M HN 0.230 nan 8.290 nan 0.000 0.417 727 I N -0.024 120.523 120.570 -0.039 0.000 2.277 727 I HA -0.236 3.936 4.170 0.003 0.000 0.243 727 I C 1.911 178.048 176.117 0.033 0.000 1.094 727 I CA 0.935 62.235 61.300 0.001 0.000 1.393 727 I CB -0.436 37.587 38.000 0.038 0.000 1.078 727 I HN 0.319 nan 8.210 nan 0.000 0.417 728 N N 0.362 119.085 118.700 0.039 0.000 2.395 728 N HA -0.046 4.696 4.740 0.003 0.000 0.175 728 N C 0.520 176.052 175.510 0.036 0.000 1.029 728 N CA 0.734 53.807 53.050 0.039 0.000 0.897 728 N CB -0.047 38.461 38.487 0.034 0.000 0.991 728 N HN 0.200 nan 8.380 nan 0.000 0.441 729 N N 0.666 119.383 118.700 0.029 0.000 2.726 729 N HA -0.004 4.738 4.740 0.003 0.000 0.253 729 N C 0.721 176.203 175.510 -0.046 0.000 1.530 729 N CA -0.179 52.858 53.050 -0.022 0.000 0.772 729 N CB -0.009 38.464 38.487 -0.023 0.000 1.220 729 N HN 0.235 nan 8.380 nan 0.000 0.508 730 H N 0.311 119.336 119.070 -0.075 0.000 2.421 730 H HA 0.007 4.564 4.556 0.003 0.000 0.298 730 H C 0.430 175.696 175.328 -0.103 0.000 1.087 730 H CA 1.210 57.216 56.048 -0.069 0.000 1.330 730 H CB 0.325 30.044 29.762 -0.071 0.000 1.388 730 H HN 0.444 nan 8.280 nan 0.000 0.526 731 E N 0.673 120.347 120.200 -0.877 0.000 2.106 731 E HA -0.132 4.219 4.350 0.003 0.000 0.192 731 E C 2.227 178.683 176.600 -0.241 0.000 0.984 731 E CA 0.971 56.831 56.400 -0.899 0.000 0.806 731 E CB 0.106 29.030 29.700 -1.293 0.000 0.750 731 E HN 0.256 nan 8.360 nan 0.000 0.458 732 K N 1.342 121.651 120.400 -0.150 0.000 2.097 732 K HA -0.043 4.279 4.320 0.003 0.000 0.205 732 K C 1.829 178.459 176.600 0.051 0.000 1.050 732 K CA 1.270 57.556 56.287 -0.001 0.000 0.938 732 K CB -0.350 32.162 32.500 0.020 0.000 0.718 732 K HN 0.074 nan 8.250 nan 0.000 0.442 733 A N -0.362 122.488 122.820 0.049 0.000 1.908 733 A HA -0.182 4.140 4.320 0.003 0.000 0.218 733 A C 2.233 179.884 177.584 0.111 0.000 1.181 733 A CA 1.655 53.737 52.037 0.076 0.000 0.627 733 A CB -0.992 18.055 19.000 0.077 0.000 0.818 733 A HN 0.510 nan 8.150 nan 0.000 0.445 734 Y N 0.323 120.654 120.300 0.052 0.000 2.163 734 Y HA -0.128 4.423 4.550 0.003 0.000 0.288 734 Y C 2.031 177.980 175.900 0.081 0.000 1.136 734 Y CA 1.941 60.102 58.100 0.103 0.000 1.147 734 Y CB -0.246 38.390 38.460 0.294 0.000 0.987 734 Y HN 0.213 nan 8.280 nan 0.000 0.509 735 L N -0.281 121.109 121.223 0.278 0.000 2.131 735 L HA -0.210 4.132 4.340 0.003 0.000 0.210 735 L C 2.408 179.298 176.870 0.033 0.000 1.092 735 L CA 1.348 56.288 54.840 0.166 0.000 0.759 735 L CB -0.446 41.743 42.059 0.217 0.000 0.903 735 L HN 0.132 nan 8.230 nan 0.000 0.435 736 R N -0.993 119.518 120.500 0.019 0.000 2.189 736 R HA -0.061 4.280 4.340 0.003 0.000 0.218 736 R C 2.157 178.430 176.300 -0.045 0.000 1.074 736 R CA 1.384 57.479 56.100 -0.008 0.000 0.991 736 R CB -0.284 30.025 30.300 0.016 0.000 0.883 736 R HN 0.313 nan 8.270 nan 0.000 0.457 737 T N 1.513 116.008 114.554 -0.098 0.000 2.894 737 T HA 0.054 4.406 4.350 0.003 0.000 0.258 737 T C 1.253 175.816 174.700 -0.229 0.000 1.043 737 T CA 0.728 62.730 62.100 -0.163 0.000 1.141 737 T CB -0.051 68.655 68.868 -0.269 0.000 0.873 737 T HN 0.225 nan 8.240 nan 0.000 0.449 738 I N 0.069 120.460 120.570 -0.299 0.000 3.468 738 I HA 0.361 4.532 4.170 0.003 0.000 0.299 738 I C 0.035 176.057 176.117 -0.159 0.000 1.141 738 I CA -1.075 60.060 61.300 -0.276 0.000 0.950 738 I CB -0.059 37.721 38.000 -0.366 0.000 1.522 738 I HN -0.169 nan 8.210 nan 0.000 0.699 739 T N 2.242 116.700 114.554 -0.160 0.000 2.819 739 T HA -0.064 4.288 4.350 0.003 0.000 0.282 739 T C 0.358 175.002 174.700 -0.094 0.000 1.013 739 T CA 0.241 62.257 62.100 -0.139 0.000 1.159 739 T CB -0.139 68.623 68.868 -0.175 0.000 1.007 739 T HN 0.654 nan 8.240 nan 0.000 0.514 740 S N 1.212 116.835 115.700 -0.127 0.000 2.589 740 S HA 0.092 4.564 4.470 0.003 0.000 0.265 740 S C 1.679 176.130 174.600 -0.249 0.000 1.342 740 S CA -0.633 57.468 58.200 -0.164 0.000 1.005 740 S CB 0.583 63.673 63.200 -0.183 0.000 0.909 740 S HN 0.835 nan 8.310 nan 0.000 0.555 741 K N 1.244 121.368 120.400 -0.460 0.000 2.032 741 K HA -0.165 4.157 4.320 0.003 0.000 0.209 741 K C 1.962 178.250 176.600 -0.520 0.000 1.048 741 K CA 1.732 57.545 56.287 -0.790 0.000 0.927 741 K CB -0.366 31.468 32.500 -1.109 0.000 0.712 741 K HN 0.559 nan 8.250 nan 0.000 0.441 742 L N 1.764 122.578 121.223 -0.681 0.000 1.976 742 L HA -0.077 4.264 4.340 0.003 0.000 0.209 742 L C -1.268 175.327 176.870 -0.457 0.000 1.071 742 L CA 1.740 56.037 54.840 -0.905 0.000 0.746 742 L CB -1.101 40.217 42.059 -1.236 0.000 0.890 742 L HN 0.153 nan 8.230 nan 0.000 0.432 743 P HA -0.109 nan 4.420 nan 0.000 0.220 743 P C 1.480 178.676 177.300 -0.173 0.000 1.148 743 P CA 1.545 64.520 63.100 -0.209 0.000 0.803 743 P CB -0.243 31.344 31.700 -0.189 0.000 0.782 744 T N 0.826 115.272 114.554 -0.181 0.000 2.708 744 T HA -0.076 4.276 4.350 0.003 0.000 0.266 744 T C 1.942 176.578 174.700 -0.107 0.000 1.037 744 T CA 1.120 63.151 62.100 -0.114 0.000 1.146 744 T CB -0.800 68.084 68.868 0.026 0.000 0.865 744 T HN 0.072 nan 8.240 nan 0.000 0.435 745 L N 0.213 121.344 121.223 -0.154 0.000 2.083 745 L HA -0.063 4.279 4.340 0.003 0.000 0.209 745 L C 2.387 179.322 176.870 0.107 0.000 1.083 745 L CA 1.192 55.961 54.840 -0.117 0.000 0.752 745 L CB -0.611 41.158 42.059 -0.482 0.000 0.899 745 L HN 0.284 nan 8.230 nan 0.000 0.433 746 I N -0.505 120.109 120.570 0.073 0.000 2.202 746 I HA -0.255 3.917 4.170 0.003 0.000 0.242 746 I C 2.813 179.036 176.117 0.176 0.000 1.091 746 I CA 1.471 62.902 61.300 0.218 0.000 1.368 746 I CB -0.352 37.725 38.000 0.129 0.000 1.058 746 I HN 0.321 nan 8.210 nan 0.000 0.410 747 S N 1.486 117.226 115.700 0.066 0.000 2.368 747 S HA -0.127 4.345 4.470 0.003 0.000 0.225 747 S C 2.031 176.703 174.600 0.121 0.000 1.030 747 S CA 0.930 59.162 58.200 0.053 0.000 0.999 747 S CB -0.954 62.189 63.200 -0.094 0.000 0.844 747 S HN 0.390 nan 8.310 nan 0.000 0.459 748 L N 1.441 122.729 121.223 0.108 0.000 2.083 748 L HA -0.075 4.267 4.340 0.003 0.000 0.209 748 L C 2.927 180.056 176.870 0.431 0.000 1.083 748 L CA 1.367 56.323 54.840 0.194 0.000 0.752 748 L CB -0.817 41.194 42.059 -0.079 0.000 0.899 748 L HN 0.356 nan 8.230 nan 0.000 0.433 749 S N -0.500 115.494 115.700 0.490 0.000 2.368 749 S HA -0.134 4.338 4.470 0.003 0.000 0.224 749 S C 2.058 176.803 174.600 0.243 0.000 1.029 749 S CA 1.135 59.603 58.200 0.448 0.000 0.988 749 S CB -0.222 63.300 63.200 0.537 0.000 0.838 749 S HN 0.155 nan 8.310 nan 0.000 0.462 750 V N 3.338 123.385 119.914 0.223 0.000 2.295 750 V HA -0.179 3.943 4.120 0.003 0.000 0.246 750 V C 2.219 178.415 176.094 0.171 0.000 1.049 750 V CA 1.877 64.276 62.300 0.165 0.000 1.024 750 V CB -0.875 31.041 31.823 0.156 0.000 0.648 750 V HN 0.650 nan 8.190 nan 0.000 0.447 751 I N -1.526 119.176 120.570 0.220 0.000 2.676 751 I HA -0.139 4.033 4.170 0.003 0.000 0.259 751 I C 2.279 178.543 176.117 0.245 0.000 1.194 751 I CA 1.797 63.240 61.300 0.239 0.000 1.473 751 I CB -0.552 37.601 38.000 0.256 0.000 1.096 751 I HN 0.366 nan 8.210 nan 0.000 0.443 752 E N 2.037 122.367 120.200 0.215 0.000 2.072 752 E HA -0.173 4.178 4.350 0.003 0.000 0.191 752 E C 2.291 178.871 176.600 -0.034 0.000 0.985 752 E CA 1.400 57.762 56.400 -0.062 0.000 0.801 752 E CB -0.045 29.481 29.700 -0.289 0.000 0.750 752 E HN 0.638 nan 8.360 nan 0.000 0.452 753 I N 1.074 121.650 120.570 0.010 0.000 2.179 753 I HA -0.309 3.863 4.170 0.003 0.000 0.242 753 I C 2.352 178.503 176.117 0.057 0.000 1.088 753 I CA 1.033 62.342 61.300 0.015 0.000 1.357 753 I CB -0.247 37.771 38.000 0.029 0.000 1.051 753 I HN 0.193 nan 8.210 nan 0.000 0.409 754 L N -0.197 121.076 121.223 0.083 0.000 2.362 754 L HA -0.111 4.231 4.340 0.003 0.000 0.219 754 L C 2.042 178.911 176.870 -0.001 0.000 1.134 754 L CA 0.798 55.687 54.840 0.080 0.000 0.807 754 L CB -0.504 41.630 42.059 0.125 0.000 0.927 754 L HN 0.163 nan 8.230 nan 0.000 0.447 755 S N -1.484 114.247 115.700 0.052 0.000 2.575 755 S HA 0.050 4.522 4.470 0.003 0.000 0.215 755 S C 0.746 175.466 174.600 0.200 0.000 0.966 755 S CA 0.009 58.269 58.200 0.100 0.000 0.911 755 S CB 0.069 63.372 63.200 0.172 0.000 0.780 755 S HN 0.289 nan 8.310 nan 0.000 0.514 756 T N 2.669 117.309 114.554 0.143 0.000 2.837 756 T HA 0.264 4.616 4.350 0.003 0.000 0.285 756 T C -0.479 174.316 174.700 0.158 0.000 0.984 756 T CA -0.340 61.826 62.100 0.110 0.000 1.049 756 T CB 0.546 69.448 68.868 0.057 0.000 0.947 756 T HN 0.179 nan 8.240 nan 0.000 0.472 757 H N 1.684 120.864 119.070 0.184 0.000 2.604 757 H HA 0.488 5.045 4.556 0.003 0.000 0.306 757 H C 0.422 175.799 175.328 0.082 0.000 1.075 757 H CA -0.587 55.528 56.048 0.111 0.000 1.357 757 H CB 0.775 30.565 29.762 0.047 0.000 1.426 757 H HN 0.801 nan 8.280 nan 0.000 0.470 758 A N 2.518 125.454 122.820 0.193 0.000 2.483 758 A HA 0.066 4.388 4.320 0.003 0.000 0.238 758 A C 1.499 179.146 177.584 0.105 0.000 1.070 758 A CA 0.283 52.378 52.037 0.096 0.000 0.770 758 A CB 0.191 19.222 19.000 0.051 0.000 1.008 758 A HN 0.840 nan 8.150 nan 0.000 0.497 759 S N 0.137 115.886 115.700 0.082 0.000 2.481 759 S HA -0.103 4.369 4.470 0.003 0.000 0.231 759 S C 0.615 175.268 174.600 0.089 0.000 0.996 759 S CA 1.132 59.384 58.200 0.088 0.000 0.942 759 S CB -0.290 62.950 63.200 0.066 0.000 0.768 759 S HN 0.800 nan 8.310 nan 0.000 0.520 760 D N 0.290 120.745 120.400 0.091 0.000 2.427 760 D HA 0.229 4.871 4.640 0.003 0.000 0.224 760 D C 0.246 176.578 176.300 0.053 0.000 1.157 760 D CA -0.445 53.610 54.000 0.091 0.000 0.828 760 D CB -0.319 40.560 40.800 0.133 0.000 0.974 760 D HN 0.399 nan 8.370 nan 0.000 0.498 761 E N 0.150 120.349 120.200 -0.000 0.000 2.404 761 E HA 0.234 4.586 4.350 0.003 0.000 0.261 761 E C -0.879 175.597 176.600 -0.206 0.000 1.074 761 E CA -0.392 55.906 56.400 -0.170 0.000 0.917 761 E CB 1.056 30.495 29.700 -0.435 0.000 0.965 761 E HN -0.049 nan 8.360 nan 0.000 0.433 762 V N 5.108 124.868 119.914 -0.256 0.000 2.350 762 V HA 0.278 4.400 4.120 0.003 0.000 0.285 762 V C -0.808 175.151 176.094 -0.225 0.000 1.014 762 V CA -0.644 61.574 62.300 -0.137 0.000 0.831 762 V CB 0.247 32.021 31.823 -0.082 0.000 1.000 762 V HN 0.605 nan 8.190 nan 0.000 0.433 763 Y N 2.964 123.227 120.300 -0.063 0.000 2.392 763 Y HA 0.510 5.062 4.550 0.003 0.000 0.323 763 Y C 0.351 176.223 175.900 -0.047 0.000 1.291 763 Y CA -0.881 57.174 58.100 -0.074 0.000 1.345 763 Y CB 0.880 39.259 38.460 -0.136 0.000 1.320 763 Y HN 0.471 nan 8.280 nan 0.000 0.518 764 L N 1.829 123.147 121.223 0.158 0.000 2.540 764 L HA 0.261 4.602 4.340 0.003 0.000 0.276 764 L C 1.001 177.797 176.870 -0.123 0.000 1.212 764 L CA 1.570 56.468 54.840 0.097 0.000 0.893 764 L CB -0.275 41.849 42.059 0.109 0.000 1.138 764 L HN 0.878 nan 8.230 nan 0.000 0.491 765 G N 2.569 111.248 108.800 -0.200 0.000 2.176 765 G HA2 -0.201 3.761 3.960 0.003 0.000 0.232 765 G HA3 -0.201 3.761 3.960 0.003 0.000 0.232 765 G C 0.207 174.967 174.900 -0.233 0.000 0.986 765 G CA 0.231 44.986 45.100 -0.575 0.000 0.643 765 G HN 0.631 nan 8.290 nan 0.000 0.522 766 Q N -0.525 119.345 119.800 0.117 0.000 2.416 766 Q HA 0.826 5.168 4.340 0.003 0.000 0.279 766 Q C -0.142 175.956 176.000 0.163 0.000 1.101 766 Q CA -0.978 54.939 55.803 0.191 0.000 0.830 766 Q CB 1.885 30.675 28.738 0.087 0.000 1.402 766 Q HN 0.236 nan 8.270 nan 0.000 0.445 767 R N 0.678 121.196 120.500 0.030 0.000 2.808 767 R HA 0.132 4.474 4.340 0.003 0.000 0.272 767 R C -0.497 175.758 176.300 -0.076 0.000 0.995 767 R CA -0.476 55.499 56.100 -0.209 0.000 0.917 767 R CB 1.364 31.328 30.300 -0.560 0.000 1.217 767 R HN 0.805 nan 8.270 nan 0.000 0.471 768 D N -0.609 119.745 120.400 -0.077 0.000 2.363 768 D HA -0.050 4.592 4.640 0.003 0.000 0.226 768 D C -0.039 176.284 176.300 0.039 0.000 1.020 768 D CA 0.557 54.557 54.000 -0.000 0.000 0.892 768 D CB 0.265 41.076 40.800 0.018 0.000 0.900 768 D HN 0.230 nan 8.370 nan 0.000 0.531 769 N N -0.370 118.362 118.700 0.054 0.000 2.452 769 N HA 0.113 4.855 4.740 0.003 0.000 0.277 769 N C -2.490 173.106 175.510 0.143 0.000 1.078 769 N CA -1.221 51.884 53.050 0.091 0.000 0.947 769 N CB 2.359 40.926 38.487 0.134 0.000 1.655 769 N HN -0.260 nan 8.380 nan 0.000 0.490 770 P HA 0.035 nan 4.420 nan 0.000 0.242 770 P C -0.115 177.042 177.300 -0.238 0.000 1.197 770 P CA 0.842 63.883 63.100 -0.098 0.000 0.765 770 P CB 0.172 31.705 31.700 -0.278 0.000 0.936 771 H N -1.013 118.117 119.070 0.100 0.000 2.475 771 H HA 0.093 4.651 4.556 0.003 0.000 0.276 771 H C 1.501 176.794 175.328 -0.058 0.000 1.126 771 H CA -0.538 55.482 56.048 -0.047 0.000 1.023 771 H CB -0.557 29.184 29.762 -0.035 0.000 1.669 771 H HN 0.364 nan 8.280 nan 0.000 0.573 772 W N 0.837 122.158 121.300 0.035 0.000 2.364 772 W HA -0.040 4.622 4.660 0.003 0.000 0.281 772 W C -0.126 176.403 176.519 0.017 0.000 1.219 772 W CA 0.841 58.194 57.345 0.013 0.000 1.220 772 W CB -0.619 28.814 29.460 -0.045 0.000 1.127 772 W HN 0.070 nan 8.180 nan 0.000 0.556 773 T N -0.077 114.143 114.554 -0.556 0.000 2.900 773 T HA 0.304 4.656 4.350 0.003 0.000 0.303 773 T C 0.800 175.275 174.700 -0.375 0.000 1.142 773 T CA 0.125 61.951 62.100 -0.456 0.000 1.007 773 T CB 1.662 70.164 68.868 -0.609 0.000 1.156 773 T HN -0.020 nan 8.240 nan 0.000 0.490 774 S N 1.333 116.900 115.700 -0.222 0.000 2.524 774 S HA 0.173 4.645 4.470 0.003 0.000 0.216 774 S C 0.105 174.642 174.600 -0.106 0.000 0.987 774 S CA -0.189 57.933 58.200 -0.130 0.000 0.909 774 S CB -0.076 63.112 63.200 -0.019 0.000 0.781 774 S HN 0.692 nan 8.310 nan 0.000 0.521 775 D N 3.488 123.808 120.400 -0.134 0.000 2.342 775 D HA 0.186 4.828 4.640 0.003 0.000 0.260 775 D C 1.261 177.505 176.300 -0.093 0.000 1.278 775 D CA 0.245 54.188 54.000 -0.095 0.000 0.910 775 D CB 1.398 42.168 40.800 -0.049 0.000 1.079 775 D HN 0.425 nan 8.370 nan 0.000 0.496 776 S N 3.285 118.949 115.700 -0.059 0.000 2.400 776 S HA -0.272 4.200 4.470 0.003 0.000 0.232 776 S C 1.596 176.205 174.600 0.014 0.000 1.025 776 S CA 0.894 59.080 58.200 -0.024 0.000 0.993 776 S CB -0.211 62.980 63.200 -0.014 0.000 0.808 776 S HN 0.600 nan 8.310 nan 0.000 0.478 777 K N 2.073 122.469 120.400 -0.006 0.000 2.057 777 K HA 0.103 4.425 4.320 0.003 0.000 0.207 777 K C 2.351 179.020 176.600 0.114 0.000 1.049 777 K CA 1.253 57.551 56.287 0.017 0.000 0.931 777 K CB -0.760 31.700 32.500 -0.068 0.000 0.714 777 K HN 0.389 nan 8.250 nan 0.000 0.440 778 A N 1.976 124.870 122.820 0.125 0.000 1.898 778 A HA 0.001 4.323 4.320 0.003 0.000 0.216 778 A C 2.265 180.144 177.584 0.493 0.000 1.181 778 A CA 0.999 53.261 52.037 0.375 0.000 0.620 778 A CB -0.619 18.605 19.000 0.372 0.000 0.819 778 A HN 0.262 nan 8.150 nan 0.000 0.442 779 L N -0.699 120.649 121.223 0.209 0.000 2.093 779 L HA -0.202 4.140 4.340 0.003 0.000 0.208 779 L C 2.823 179.893 176.870 0.333 0.000 1.085 779 L CA 0.984 55.980 54.840 0.261 0.000 0.755 779 L CB -0.459 41.626 42.059 0.043 0.000 0.904 779 L HN 0.365 nan 8.230 nan 0.000 0.435 780 Q N -0.161 119.783 119.800 0.239 0.000 2.079 780 Q HA -0.102 4.239 4.340 0.003 0.000 0.200 780 Q C 2.465 178.622 176.000 0.261 0.000 0.974 780 Q CA 1.633 57.555 55.803 0.198 0.000 0.840 780 Q CB -0.411 28.405 28.738 0.130 0.000 0.898 780 Q HN 0.508 nan 8.270 nan 0.000 0.430 781 A N 0.342 123.388 122.820 0.377 0.000 1.902 781 A HA -0.172 4.149 4.320 0.003 0.000 0.217 781 A C 1.929 179.819 177.584 0.510 0.000 1.181 781 A CA 1.238 53.569 52.037 0.489 0.000 0.623 781 A CB -0.782 18.612 19.000 0.658 0.000 0.818 781 A HN 0.341 nan 8.150 nan 0.000 0.443 782 F N 0.529 120.690 119.950 0.352 0.000 2.186 782 F HA -0.128 4.401 4.527 0.003 0.000 0.299 782 F C 2.322 178.116 175.800 -0.010 0.000 1.090 782 F CA 1.998 59.933 58.000 -0.109 0.000 1.307 782 F CB -0.331 38.726 39.000 0.095 0.000 1.019 782 F HN 0.332 nan 8.300 nan 0.000 0.489 783 Q N 0.869 120.695 119.800 0.043 0.000 2.119 783 Q HA -0.166 4.176 4.340 0.003 0.000 0.201 783 Q C 2.039 177.971 176.000 -0.115 0.000 0.972 783 Q CA 1.846 57.598 55.803 -0.084 0.000 0.847 783 Q CB -0.245 28.521 28.738 0.047 0.000 0.903 783 Q HN 0.385 nan 8.270 nan 0.000 0.433 784 K N -0.796 119.604 120.400 0.002 0.000 2.097 784 K HA -0.114 4.207 4.320 0.003 0.000 0.205 784 K C 1.858 178.463 176.600 0.009 0.000 1.050 784 K CA 1.091 57.393 56.287 0.025 0.000 0.938 784 K CB -0.309 32.254 32.500 0.105 0.000 0.718 784 K HN 0.213 nan 8.250 nan 0.000 0.442 785 F N 1.592 121.410 119.950 -0.220 0.000 2.102 785 F HA -0.097 4.431 4.527 0.002 0.000 0.298 785 F C 2.036 177.616 175.800 -0.368 0.000 1.105 785 F CA 1.732 59.552 58.000 -0.300 0.000 1.239 785 F CB -0.915 37.749 39.000 -0.561 0.000 0.991 785 F HN -0.022 nan 8.300 nan 0.000 0.474 786 G N 0.089 108.477 108.800 -0.687 0.000 2.432 786 G HA2 -0.285 3.677 3.960 0.003 0.000 0.219 786 G HA3 -0.285 3.677 3.960 0.003 0.000 0.219 786 G C 1.522 176.184 174.900 -0.396 0.000 1.135 786 G CA 0.859 45.552 45.100 -0.680 0.000 0.767 786 G HN 0.358 nan 8.290 nan 0.000 0.550 787 N N 0.619 119.162 118.700 -0.261 0.000 2.188 787 N HA -0.057 4.685 4.740 0.003 0.000 0.184 787 N C 1.996 177.420 175.510 -0.144 0.000 1.018 787 N CA 1.122 54.074 53.050 -0.164 0.000 0.858 787 N CB -0.243 38.184 38.487 -0.098 0.000 0.989 787 N HN 0.225 nan 8.380 nan 0.000 0.426 788 K N 1.266 121.590 120.400 -0.127 0.000 2.097 788 K HA 0.078 4.399 4.320 0.003 0.000 0.206 788 K C 1.850 178.376 176.600 -0.123 0.000 1.049 788 K CA 0.775 57.019 56.287 -0.072 0.000 0.933 788 K CB -0.354 32.160 32.500 0.023 0.000 0.717 788 K HN 0.133 nan 8.250 nan 0.000 0.442 789 L N 0.230 121.305 121.223 -0.247 0.000 2.141 789 L HA -0.126 4.216 4.340 0.003 0.000 0.209 789 L C 2.185 178.933 176.870 -0.203 0.000 1.094 789 L CA 1.292 55.980 54.840 -0.253 0.000 0.763 789 L CB -0.283 41.523 42.059 -0.422 0.000 0.908 789 L HN 0.131 nan 8.230 nan 0.000 0.437 790 K N -0.110 120.168 120.400 -0.205 0.000 2.097 790 K HA -0.220 4.102 4.320 0.003 0.000 0.205 790 K C 2.026 178.540 176.600 -0.143 0.000 1.050 790 K CA 1.305 57.487 56.287 -0.175 0.000 0.938 790 K CB -0.091 32.314 32.500 -0.160 0.000 0.718 790 K HN 0.294 nan 8.250 nan 0.000 0.442 791 E N 1.277 121.407 120.200 -0.116 0.000 2.077 791 E HA -0.192 4.160 4.350 0.003 0.000 0.193 791 E C 1.962 178.512 176.600 -0.083 0.000 0.989 791 E CA 1.045 57.394 56.400 -0.084 0.000 0.800 791 E CB 0.001 29.667 29.700 -0.057 0.000 0.746 791 E HN 0.248 nan 8.360 nan 0.000 0.452 792 I N 0.921 121.442 120.570 -0.082 0.000 2.226 792 I HA -0.238 3.933 4.170 0.003 0.000 0.245 792 I C 2.631 178.672 176.117 -0.127 0.000 1.100 792 I CA 1.247 62.507 61.300 -0.067 0.000 1.374 792 I CB -0.281 37.698 38.000 -0.035 0.000 1.057 792 I HN 0.243 nan 8.210 nan 0.000 0.413 793 E N 1.159 121.245 120.200 -0.190 0.000 2.085 793 E HA -0.264 4.088 4.350 0.003 0.000 0.194 793 E C 2.003 178.396 176.600 -0.346 0.000 0.994 793 E CA 1.420 57.617 56.400 -0.338 0.000 0.801 793 E CB 0.061 29.556 29.700 -0.343 0.000 0.743 793 E HN 0.479 nan 8.360 nan 0.000 0.453 794 E N 0.348 120.420 120.200 -0.213 0.000 2.118 794 E HA -0.227 4.125 4.350 0.003 0.000 0.195 794 E C 2.068 178.595 176.600 -0.122 0.000 0.992 794 E CA 0.988 57.293 56.400 -0.159 0.000 0.804 794 E CB -0.067 29.571 29.700 -0.104 0.000 0.741 794 E HN 0.148 nan 8.360 nan 0.000 0.458 795 K N 1.054 121.395 120.400 -0.099 0.000 2.057 795 K HA -0.119 4.202 4.320 0.003 0.000 0.206 795 K C 2.100 178.677 176.600 -0.037 0.000 1.050 795 K CA 0.840 57.098 56.287 -0.048 0.000 0.935 795 K CB 0.025 32.511 32.500 -0.022 0.000 0.715 795 K HN 0.086 nan 8.250 nan 0.000 0.439 796 L N 0.554 121.726 121.223 -0.084 0.000 2.141 796 L HA -0.130 4.211 4.340 0.003 0.000 0.209 796 L C 2.339 179.227 176.870 0.031 0.000 1.094 796 L CA 0.532 55.368 54.840 -0.005 0.000 0.763 796 L CB -0.367 41.686 42.059 -0.009 0.000 0.908 796 L HN 0.021 nan 8.230 nan 0.000 0.437 797 V N 0.092 119.925 119.914 -0.135 0.000 2.343 797 V HA -0.257 3.864 4.120 0.003 0.000 0.247 797 V C 2.665 178.791 176.094 0.053 0.000 1.051 797 V CA 1.693 63.990 62.300 -0.004 0.000 1.036 797 V CB -0.581 31.186 31.823 -0.094 0.000 0.654 797 V HN 0.423 nan 8.190 nan 0.000 0.451 798 R N -0.368 120.141 120.500 0.014 0.000 2.096 798 R HA -0.123 4.218 4.340 0.003 0.000 0.235 798 R C 2.532 178.866 176.300 0.056 0.000 1.127 798 R CA 1.351 57.469 56.100 0.030 0.000 0.968 798 R CB -0.336 29.971 30.300 0.012 0.000 0.861 798 R HN 0.490 nan 8.270 nan 0.000 0.440 799 R N 0.344 120.888 120.500 0.072 0.000 2.073 799 R HA -0.062 4.279 4.340 0.003 0.000 0.234 799 R C 1.900 178.269 176.300 0.116 0.000 1.134 799 R CA 1.285 57.440 56.100 0.092 0.000 0.952 799 R CB -0.264 30.103 30.300 0.112 0.000 0.850 799 R HN 0.214 nan 8.270 nan 0.000 0.433 800 N N 0.568 119.362 118.700 0.156 0.000 2.381 800 N HA -0.091 4.650 4.740 0.003 0.000 0.182 800 N C 0.889 176.472 175.510 0.121 0.000 1.025 800 N CA 0.904 54.053 53.050 0.165 0.000 0.888 800 N CB -0.156 38.464 38.487 0.221 0.000 0.965 800 N HN 0.236 nan 8.380 nan 0.000 0.438 801 N N 0.690 119.449 118.700 0.099 0.000 2.336 801 N HA -0.060 4.681 4.740 0.003 0.000 0.189 801 N C -0.303 175.243 175.510 0.060 0.000 1.113 801 N CA 0.152 53.247 53.050 0.074 0.000 0.858 801 N CB 0.135 38.659 38.487 0.062 0.000 0.970 801 N HN 0.176 nan 8.380 nan 0.000 0.471 802 D N 1.553 121.989 120.400 0.061 0.000 2.338 802 D HA 0.111 4.753 4.640 0.003 0.000 0.255 802 D C -1.645 174.684 176.300 0.048 0.000 1.237 802 D CA -1.999 52.030 54.000 0.049 0.000 0.883 802 D CB 1.589 42.418 40.800 0.048 0.000 1.087 802 D HN 0.007 nan 8.370 nan 0.000 0.485 803 P HA -0.155 nan 4.420 nan 0.000 0.219 803 P C 1.265 178.586 177.300 0.035 0.000 1.146 803 P CA 1.087 64.210 63.100 0.037 0.000 0.808 803 P CB 0.138 31.857 31.700 0.031 0.000 0.779 804 S N -1.156 114.563 115.700 0.032 0.000 2.453 804 S HA -0.027 4.445 4.470 0.003 0.000 0.231 804 S C 1.511 176.128 174.600 0.029 0.000 1.005 804 S CA 0.774 58.991 58.200 0.027 0.000 0.949 804 S CB -1.221 61.993 63.200 0.024 0.000 0.774 804 S HN 0.132 nan 8.310 nan 0.000 0.510 805 L N 0.892 122.138 121.223 0.038 0.000 2.667 805 L HA 0.273 4.615 4.340 0.003 0.000 0.232 805 L C 2.585 179.485 176.870 0.050 0.000 1.138 805 L CA -0.095 54.770 54.840 0.042 0.000 0.921 805 L CB -0.268 41.823 42.059 0.053 0.000 1.180 805 L HN 0.276 nan 8.230 nan 0.000 0.487 806 Q N 1.553 121.383 119.800 0.050 0.000 2.135 806 Q HA -0.172 4.170 4.340 0.003 0.000 0.204 806 Q C 1.985 178.016 176.000 0.053 0.000 0.981 806 Q CA 2.093 57.930 55.803 0.057 0.000 0.856 806 Q CB -0.131 28.637 28.738 0.049 0.000 0.902 806 Q HN 0.512 nan 8.270 nan 0.000 0.425 807 G N 0.905 109.727 108.800 0.037 0.000 2.476 807 G HA2 -0.287 3.675 3.960 0.003 0.000 0.218 807 G HA3 -0.287 3.675 3.960 0.003 0.000 0.218 807 G C 1.305 176.220 174.900 0.026 0.000 1.164 807 G CA 1.121 46.238 45.100 0.028 0.000 0.768 807 G HN 0.389 nan 8.290 nan 0.000 0.560 808 N N -0.469 118.241 118.700 0.017 0.000 2.414 808 N HA 0.092 4.834 4.740 0.003 0.000 0.177 808 N C 2.169 177.702 175.510 0.037 0.000 1.062 808 N CA 0.123 53.174 53.050 0.002 0.000 0.890 808 N CB -0.000 38.463 38.487 -0.039 0.000 1.070 808 N HN 0.282 nan 8.380 nan 0.000 0.454 809 R N -0.309 120.234 120.500 0.073 0.000 2.210 809 R HA 0.208 4.550 4.340 0.003 0.000 0.203 809 R C 0.708 177.122 176.300 0.190 0.000 1.010 809 R CA 0.623 56.805 56.100 0.136 0.000 1.008 809 R CB 0.328 30.716 30.300 0.146 0.000 0.923 809 R HN 0.080 nan 8.270 nan 0.000 0.469 810 L N -1.806 119.503 121.223 0.144 0.000 2.713 810 L HA 0.319 4.661 4.340 0.003 0.000 0.223 810 L C 0.923 177.871 176.870 0.130 0.000 1.040 810 L CA 0.898 55.825 54.840 0.146 0.000 0.894 810 L CB 0.124 42.249 42.059 0.111 0.000 1.361 810 L HN 0.265 nan 8.230 nan 0.000 0.490 811 G N 0.687 109.546 108.800 0.099 0.000 2.804 811 G HA2 -0.226 3.736 3.960 0.003 0.000 0.230 811 G HA3 -0.226 3.736 3.960 0.003 0.000 0.230 811 G C -1.936 173.010 174.900 0.077 0.000 1.386 811 G CA -0.101 45.052 45.100 0.087 0.000 0.875 811 G HN 0.128 nan 8.290 nan 0.000 0.557 812 P HA -0.046 nan 4.420 nan 0.000 0.226 812 P C 1.871 179.207 177.300 0.060 0.000 1.153 812 P CA 2.143 65.276 63.100 0.055 0.000 0.777 812 P CB -0.271 31.456 31.700 0.044 0.000 0.794 813 V N -4.356 115.609 119.914 0.085 0.000 3.461 813 V HA 0.024 4.146 4.120 0.003 0.000 0.267 813 V C 0.750 176.878 176.094 0.056 0.000 1.186 813 V CA 0.344 62.692 62.300 0.080 0.000 1.154 813 V CB -1.381 30.510 31.823 0.113 0.000 0.802 813 V HN -0.009 nan 8.190 nan 0.000 0.474 814 Q N -0.165 119.674 119.800 0.065 0.000 2.439 814 Q HA -0.206 4.135 4.340 0.003 0.000 0.325 814 Q C -0.400 175.634 176.000 0.056 0.000 1.372 814 Q CA 0.939 56.778 55.803 0.060 0.000 0.909 814 Q CB -1.564 27.199 28.738 0.042 0.000 1.167 814 Q HN 0.694 nan 8.270 nan 0.000 0.418 815 L N 0.597 121.866 121.223 0.078 0.000 2.337 815 L HA 0.473 4.815 4.340 0.003 0.000 0.269 815 L C -2.416 174.557 176.870 0.172 0.000 1.018 815 L CA -1.823 53.051 54.840 0.057 0.000 0.876 815 L CB 1.346 43.366 42.059 -0.064 0.000 1.236 815 L HN -0.180 nan 8.230 nan 0.000 0.436 816 P HA -0.069 nan 4.420 nan 0.000 0.262 816 P C -1.326 176.135 177.300 0.268 0.000 1.182 816 P CA 0.314 63.529 63.100 0.192 0.000 0.761 816 P CB -0.001 31.773 31.700 0.123 0.000 0.795 817 Y N 3.829 124.220 120.300 0.151 0.000 2.680 817 Y HA 0.108 4.659 4.550 0.003 0.000 0.356 817 Y C 1.151 176.973 175.900 -0.129 0.000 1.122 817 Y CA 0.633 58.789 58.100 0.094 0.000 1.509 817 Y CB -0.262 38.275 38.460 0.128 0.000 1.245 817 Y HN 0.357 nan 8.280 nan 0.000 0.513 818 T N 1.387 115.473 114.554 -0.779 0.000 3.084 818 T HA 0.120 4.472 4.350 0.003 0.000 0.270 818 T C 1.452 175.557 174.700 -0.991 0.000 1.008 818 T CA -0.101 61.348 62.100 -1.086 0.000 0.900 818 T CB -0.286 67.885 68.868 -1.162 0.000 1.084 818 T HN 0.631 nan 8.240 nan 0.000 0.538 819 L N 0.275 120.725 121.223 -1.289 0.000 2.261 819 L HA 0.154 4.496 4.340 0.003 0.000 0.216 819 L C 1.775 178.432 176.870 -0.356 0.000 1.114 819 L CA 1.203 55.530 54.840 -0.856 0.000 0.777 819 L CB -0.267 41.282 42.059 -0.850 0.000 0.910 819 L HN 0.354 nan 8.230 nan 0.000 0.440 820 L N -1.700 119.376 121.223 -0.243 0.000 2.769 820 L HA 0.132 4.474 4.340 0.003 0.000 0.240 820 L C -0.185 176.767 176.870 0.136 0.000 1.163 820 L CA -0.574 54.288 54.840 0.037 0.000 0.962 820 L CB 0.098 42.258 42.059 0.168 0.000 1.258 820 L HN 0.014 nan 8.230 nan 0.000 0.513 821 Y N 1.221 121.440 120.300 -0.134 0.000 2.620 821 Y HA 0.052 4.604 4.550 0.002 0.000 0.330 821 Y C -1.241 174.586 175.900 -0.121 0.000 1.186 821 Y CA -2.425 55.606 58.100 -0.114 0.000 1.467 821 Y CB 0.192 38.571 38.460 -0.136 0.000 1.262 821 Y HN -0.042 nan 8.280 nan 0.000 0.550 822 P HA -0.116 nan 4.420 nan 0.000 0.217 822 P C -0.030 177.170 177.300 -0.167 0.000 1.150 822 P CA 1.508 64.567 63.100 -0.068 0.000 0.832 822 P CB 0.240 31.862 31.700 -0.129 0.000 0.787 823 S N -2.121 113.441 115.700 -0.230 0.000 2.651 823 S HA 0.683 5.155 4.470 0.003 0.000 0.291 823 S C -0.205 174.115 174.600 -0.466 0.000 1.141 823 S CA -0.479 57.453 58.200 -0.446 0.000 1.027 823 S CB 1.599 64.599 63.200 -0.334 0.000 1.043 823 S HN -0.008 nan 8.310 nan 0.000 0.530 824 S N 0.129 115.376 115.700 -0.755 0.000 2.565 824 S HA 0.407 4.879 4.470 0.003 0.000 0.274 824 S C -1.613 172.745 174.600 -0.402 0.000 1.144 824 S CA -0.677 57.235 58.200 -0.479 0.000 0.849 824 S CB 1.266 64.211 63.200 -0.425 0.000 1.103 824 S HN 0.761 nan 8.310 nan 0.000 0.455 825 E N 1.882 121.990 120.200 -0.153 0.000 2.322 825 E HA 0.276 4.627 4.350 0.003 0.000 0.257 825 E C 0.106 176.725 176.600 0.033 0.000 1.155 825 E CA -0.539 55.827 56.400 -0.056 0.000 0.936 825 E CB 0.366 30.057 29.700 -0.016 0.000 1.130 825 E HN 0.770 nan 8.360 nan 0.000 0.465 826 E N 0.317 120.563 120.200 0.076 0.000 2.409 826 E HA 0.320 4.671 4.350 0.003 0.000 0.257 826 E C 0.563 177.244 176.600 0.135 0.000 1.150 826 E CA 0.043 56.523 56.400 0.133 0.000 0.942 826 E CB 0.431 30.190 29.700 0.098 0.000 0.979 826 E HN 0.577 nan 8.360 nan 0.000 0.447 827 G N 0.415 109.310 108.800 0.158 0.000 2.466 827 G HA2 -0.157 3.805 3.960 0.003 0.000 0.316 827 G HA3 -0.157 3.805 3.960 0.003 0.000 0.316 827 G C -1.059 173.915 174.900 0.124 0.000 1.270 827 G CA -0.342 44.825 45.100 0.113 0.000 0.982 827 G HN 0.657 nan 8.290 nan 0.000 0.506 828 L N 2.062 123.345 121.223 0.101 0.000 2.449 828 L HA 0.485 4.827 4.340 0.003 0.000 0.255 828 L C 1.986 178.989 176.870 0.221 0.000 1.167 828 L CA 0.448 55.367 54.840 0.131 0.000 1.090 828 L CB 0.131 42.235 42.059 0.074 0.000 1.385 828 L HN 0.974 nan 8.230 nan 0.000 0.411 829 T N -0.662 114.012 114.554 0.201 0.000 3.044 829 T HA -0.001 4.351 4.350 0.003 0.000 0.250 829 T C 0.950 175.757 174.700 0.178 0.000 1.081 829 T CA -0.081 62.144 62.100 0.208 0.000 1.040 829 T CB -0.109 68.860 68.868 0.169 0.000 0.962 829 T HN 0.438 nan 8.240 nan 0.000 0.506 830 F N 2.400 122.280 119.950 -0.116 0.000 3.034 830 F HA -0.250 4.278 4.527 0.002 0.000 0.286 830 F C 0.169 175.838 175.800 -0.219 0.000 0.804 830 F CA 0.864 58.700 58.000 -0.273 0.000 1.161 830 F CB -1.376 37.206 39.000 -0.696 0.000 1.317 830 F HN 0.717 nan 8.300 nan 0.000 0.453 831 R N -0.297 120.127 120.500 -0.127 0.000 2.733 831 R HA 0.737 5.079 4.340 0.003 0.000 0.272 831 R C 0.097 176.364 176.300 -0.054 0.000 1.029 831 R CA -0.849 55.128 56.100 -0.204 0.000 0.888 831 R CB 1.339 31.500 30.300 -0.232 0.000 1.251 831 R HN 1.279 nan 8.270 nan 0.000 0.464 832 G N 0.883 109.630 108.800 -0.088 0.000 3.209 832 G HA2 -0.007 3.955 3.960 0.003 0.000 0.686 832 G HA3 -0.007 3.955 3.960 0.003 0.000 0.686 832 G C -0.860 174.048 174.900 0.015 0.000 1.065 832 G CA -0.617 44.406 45.100 -0.129 0.000 0.812 832 G HN 0.537 nan 8.290 nan 0.000 0.573 833 I N 4.262 124.905 120.570 0.123 0.000 2.359 833 I HA 0.274 4.446 4.170 0.003 0.000 0.284 833 I C -2.058 174.200 176.117 0.236 0.000 1.018 833 I CA -2.209 59.196 61.300 0.175 0.000 1.173 833 I CB 2.004 40.080 38.000 0.127 0.000 1.326 833 I HN 0.189 nan 8.210 nan 0.000 0.462 834 P HA 0.178 nan 4.420 nan 0.000 0.274 834 P C 0.291 177.647 177.300 0.094 0.000 1.246 834 P CA -0.365 62.701 63.100 -0.057 0.000 0.795 834 P CB 0.720 32.415 31.700 -0.008 0.000 1.006 835 N N -0.862 117.863 118.700 0.042 0.000 2.309 835 N HA -0.051 4.690 4.740 0.003 0.000 0.182 835 N C 0.656 176.310 175.510 0.241 0.000 1.018 835 N CA 1.053 54.192 53.050 0.149 0.000 0.876 835 N CB -0.128 38.293 38.487 -0.110 0.000 0.972 835 N HN 0.520 nan 8.380 nan 0.000 0.434 836 S N -1.110 114.667 115.700 0.128 0.000 2.732 836 S HA 0.532 5.004 4.470 0.003 0.000 0.293 836 S C -0.280 174.335 174.600 0.025 0.000 1.159 836 S CA -0.847 57.423 58.200 0.116 0.000 0.847 836 S CB 1.282 64.534 63.200 0.088 0.000 1.169 836 S HN -0.008 nan 8.310 nan 0.000 0.501 837 I N 2.922 123.411 120.570 -0.136 0.000 2.243 837 I HA 0.166 4.337 4.170 0.003 0.000 0.297 837 I C 1.018 176.979 176.117 -0.260 0.000 1.161 837 I CA -0.186 60.759 61.300 -0.591 0.000 1.298 837 I CB 0.452 38.010 38.000 -0.736 0.000 1.475 837 I HN 0.820 nan 8.210 nan 0.000 0.561 838 S N 4.965 120.634 115.700 -0.051 0.000 2.539 838 S HA 0.351 4.823 4.470 0.003 0.000 0.221 838 S C 0.143 174.858 174.600 0.192 0.000 0.987 838 S CA -0.243 58.019 58.200 0.103 0.000 0.929 838 S CB 0.291 63.573 63.200 0.137 0.000 0.832 838 S HN 0.460 nan 8.310 nan 0.000 0.492 839 I N 0.000 120.724 120.570 0.256 0.000 2.984 839 I HA 0.000 4.172 4.170 0.003 0.000 0.288 839 I CA 0.000 61.488 61.300 0.313 0.000 1.566 839 I CB 0.000 38.170 38.000 0.284 0.000 1.214 839 I HN 0.000 nan 8.210 nan 0.000 0.494