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 1vm8_1_A DATA FIRST_RESID 2 DATA SEQUENCE NVNDLKQRLS QAGQEHLLQF WNELSEAQQX ELYXELQAXN FEELNSFFRK DATA SEQUENCE AIGEFDRSSH QEKVDARXEP VPRQVLGSAT RDQEQLQAWE SEGLSQISQN DATA SEQUENCE KVAVLLLAGG QGTRLGVSYP KGXYDVGLPS HKTLFQIQAE RILKLQQLAE DATA SEQUENCE KHHGNKCTIP WYIXTSGRTX ESTKEFFTKH KFFGLKKENV VFFQQGXLPA DATA SEQUENCE XSFDGKIILE EKNKVSXAPD GNGGLYRALA AQNIVEDXEQ RGICSIHVYC DATA SEQUENCE VDNILVKVAD PRFIGFCIQK GADCGAKVVE KTNPTEPVGV VCRVDGVYQV DATA SEQUENCE VEYSEISLAT AQRRSSDGRL LFNAGNIANH FFTVPFLKDV VNVYEPQLQH DATA SEQUENCE HVAQKKIPYV DSQGYFIKPD KPNGIKXEKF VFDIFQFAKK FVVYEVLRED DATA SEQUENCE EFSPLKNADS QXGKDNPTTA RHALXSLHHC WVLNAGGHFI DENGSRLPAI DATA SEQUENCE PXXXXXXXXX XXXXXXXXXX XXXXXVPIQC EISPLISYAG EGLEGYVADK DATA SEQUENCE EFHAPLIIDE NGVHEL 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 2 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.630 175.510 0.201 0.000 1.280 2 N CA 0.000 53.121 53.050 0.118 0.000 0.885 2 N CB 0.000 38.575 38.487 0.146 0.000 1.341 3 V N 1.531 121.504 119.914 0.100 0.000 2.871 3 V HA 0.117 4.237 4.120 -0.000 0.000 0.256 3 V C 1.128 177.197 176.094 -0.040 0.000 1.082 3 V CA 1.642 63.985 62.300 0.072 0.000 1.105 3 V CB -0.607 31.184 31.823 -0.053 0.000 0.713 3 V HN 0.353 nan 8.190 nan 0.000 0.473 4 N N 0.045 118.725 118.700 -0.033 0.000 2.368 4 N HA -0.090 4.650 4.740 -0.000 0.000 0.176 4 N C 1.246 176.721 175.510 -0.058 0.000 1.021 4 N CA 1.298 54.309 53.050 -0.065 0.000 0.888 4 N CB -0.090 38.369 38.487 -0.046 0.000 0.995 4 N HN 0.487 nan 8.380 nan 0.000 0.437 5 D N 1.577 121.963 120.400 -0.022 0.000 2.116 5 D HA -0.126 4.513 4.640 -0.000 0.000 0.193 5 D C 2.021 178.286 176.300 -0.058 0.000 0.998 5 D CA 0.682 54.667 54.000 -0.025 0.000 0.836 5 D CB -0.345 40.459 40.800 0.007 0.000 0.951 5 D HN 0.047 nan 8.370 nan 0.000 0.449 6 L N 0.708 121.890 121.223 -0.069 0.000 2.012 6 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 6 L C 2.698 179.456 176.870 -0.186 0.000 1.073 6 L CA 2.445 57.206 54.840 -0.133 0.000 0.748 6 L CB -1.066 40.902 42.059 -0.151 0.000 0.891 6 L HN 0.092 nan 8.230 nan 0.000 0.431 7 K N -0.759 119.531 120.400 -0.184 0.000 2.052 7 K HA -0.311 4.008 4.320 -0.000 0.000 0.215 7 K C 2.158 178.663 176.600 -0.158 0.000 1.053 7 K CA 2.913 59.088 56.287 -0.186 0.000 0.934 7 K CB -1.797 30.603 32.500 -0.166 0.000 0.717 7 K HN 0.545 nan 8.250 nan 0.000 0.450 8 Q N 0.218 119.944 119.800 -0.122 0.000 2.079 8 Q HA -0.031 4.308 4.340 -0.000 0.000 0.200 8 Q C 2.380 178.312 176.000 -0.114 0.000 0.974 8 Q CA 1.863 57.605 55.803 -0.100 0.000 0.840 8 Q CB -0.421 28.275 28.738 -0.070 0.000 0.898 8 Q HN 0.757 nan 8.270 nan 0.000 0.430 9 R N -0.707 119.720 120.500 -0.123 0.000 2.081 9 R HA 0.001 4.341 4.340 -0.000 0.000 0.235 9 R C 2.283 178.430 176.300 -0.255 0.000 1.131 9 R CA 1.537 57.559 56.100 -0.129 0.000 0.960 9 R CB -0.276 29.978 30.300 -0.076 0.000 0.856 9 R HN 0.505 nan 8.270 nan 0.000 0.436 10 L N -0.602 120.410 121.223 -0.351 0.000 2.179 10 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 10 L C 2.392 179.090 176.870 -0.286 0.000 1.096 10 L CA 0.880 55.437 54.840 -0.472 0.000 0.779 10 L CB -0.315 41.453 42.059 -0.486 0.000 0.922 10 L HN 0.128 nan 8.230 nan 0.000 0.443 11 S N -0.385 115.195 115.700 -0.200 0.000 2.351 11 S HA -0.202 4.267 4.470 -0.000 0.000 0.220 11 S C 1.767 176.300 174.600 -0.111 0.000 1.035 11 S CA 1.228 59.348 58.200 -0.133 0.000 1.031 11 S CB -0.111 63.026 63.200 -0.106 0.000 0.928 11 S HN 0.402 nan 8.310 nan 0.000 0.433 12 Q N 0.211 119.947 119.800 -0.106 0.000 2.452 12 Q HA 0.197 4.536 4.340 -0.000 0.000 0.214 12 Q C 0.765 176.723 176.000 -0.070 0.000 0.966 12 Q CA 0.594 56.353 55.803 -0.073 0.000 0.964 12 Q CB 0.015 28.719 28.738 -0.057 0.000 0.992 12 Q HN 0.593 nan 8.270 nan 0.000 0.517 13 A N -1.590 121.170 122.820 -0.101 0.000 2.701 13 A HA 0.439 4.759 4.320 -0.000 0.000 0.241 13 A C 1.045 178.584 177.584 -0.076 0.000 1.231 13 A CA 0.254 52.245 52.037 -0.078 0.000 1.003 13 A CB 0.388 19.333 19.000 -0.091 0.000 1.281 13 A HN 0.242 nan 8.150 nan 0.000 0.600 14 G N 0.357 109.109 108.800 -0.080 0.000 2.323 14 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.292 14 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.292 14 G C 0.249 175.137 174.900 -0.020 0.000 1.040 14 G CA 0.629 45.699 45.100 -0.049 0.000 0.942 14 G HN 0.482 nan 8.290 nan 0.000 0.506 15 Q N -1.647 118.091 119.800 -0.103 0.000 2.135 15 Q HA 0.348 4.687 4.340 -0.000 0.000 0.222 15 Q C 1.910 177.724 176.000 -0.309 0.000 0.808 15 Q CA 0.781 56.497 55.803 -0.145 0.000 1.049 15 Q CB 0.113 28.659 28.738 -0.319 0.000 1.168 15 Q HN 0.901 nan 8.270 nan 0.000 0.483 16 E N 1.676 121.777 120.200 -0.164 0.000 2.187 16 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 16 E C 1.518 178.020 176.600 -0.163 0.000 1.004 16 E CA 1.863 58.161 56.400 -0.170 0.000 0.813 16 E CB -1.307 nan 29.700 nan 0.000 0.736 16 E HN 0.689 nan 8.360 nan 0.000 0.468 17 H N -0.263 118.751 119.070 -0.094 0.000 2.543 17 H HA 0.084 4.640 4.556 -0.000 0.000 0.286 17 H C 1.962 177.278 175.328 -0.020 0.000 1.037 17 H CA 1.129 57.137 56.048 -0.067 0.000 1.250 17 H CB -0.455 29.273 29.762 -0.058 0.000 1.373 17 H HN 0.435 nan 8.280 nan 0.000 0.580 18 L N 0.676 121.528 121.223 -0.618 0.000 2.465 18 L HA -0.020 4.320 4.340 -0.000 0.000 0.224 18 L C 1.890 178.746 176.870 -0.024 0.000 1.145 18 L CA 0.435 55.108 54.840 -0.279 0.000 0.834 18 L CB -0.064 41.811 42.059 -0.306 0.000 0.944 18 L HN 0.237 nan 8.230 nan 0.000 0.451 19 L N -1.010 120.188 121.223 -0.042 0.000 2.667 19 L HA 0.057 4.397 4.340 -0.000 0.000 0.232 19 L C 2.101 179.039 176.870 0.113 0.000 1.138 19 L CA -0.037 54.856 54.840 0.089 0.000 0.921 19 L CB -0.186 41.831 42.059 -0.069 0.000 1.180 19 L HN 0.288 nan 8.230 nan 0.000 0.487 20 Q N 1.420 121.226 119.800 0.010 0.000 2.188 20 Q HA -0.272 4.068 4.340 -0.000 0.000 0.217 20 Q C 1.291 177.135 176.000 -0.260 0.000 1.018 20 Q CA 2.429 58.125 55.803 -0.178 0.000 0.910 20 Q CB -0.111 28.430 28.738 -0.328 0.000 0.979 20 Q HN 0.535 nan 8.270 nan 0.000 0.413 21 F N -1.630 118.396 119.950 0.128 0.000 2.695 21 F HA 0.073 4.600 4.527 -0.000 0.000 0.303 21 F C 1.466 177.337 175.800 0.118 0.000 1.091 21 F CA -0.547 57.511 58.000 0.096 0.000 1.300 21 F CB -0.262 38.769 39.000 0.052 0.000 1.071 21 F HN 0.282 nan 8.300 nan 0.000 0.578 22 W N 2.125 123.499 121.300 0.123 0.000 2.290 22 W HA -0.320 4.340 4.660 -0.000 0.000 0.318 22 W C 1.346 177.904 176.519 0.066 0.000 1.248 22 W CA 1.982 59.376 57.345 0.083 0.000 1.263 22 W CB -0.378 29.108 29.460 0.043 0.000 1.147 22 W HN 0.020 nan 8.180 nan 0.000 0.494 23 N N 0.637 119.463 118.700 0.209 0.000 2.520 23 N HA -0.128 4.612 4.740 -0.000 0.000 0.185 23 N C 1.216 176.725 175.510 -0.003 0.000 1.068 23 N CA 1.350 54.455 53.050 0.092 0.000 0.911 23 N CB -0.341 38.225 38.487 0.131 0.000 0.961 23 N HN 0.511 nan 8.380 nan 0.000 0.446 24 E N -0.200 120.008 120.200 0.012 0.000 2.447 24 E HA 0.131 4.481 4.350 -0.000 0.000 0.195 24 E C 0.088 176.646 176.600 -0.071 0.000 1.028 24 E CA -0.054 56.349 56.400 0.006 0.000 0.876 24 E CB 0.492 30.247 29.700 0.092 0.000 0.885 24 E HN 0.242 nan 8.360 nan 0.000 0.500 25 L N 1.491 122.615 121.223 -0.166 0.000 2.350 25 L HA 0.174 4.513 4.340 -0.000 0.000 0.275 25 L C 0.558 177.289 176.870 -0.230 0.000 1.099 25 L CA -0.533 54.177 54.840 -0.216 0.000 0.808 25 L CB 1.247 43.114 42.059 -0.319 0.000 1.149 25 L HN -0.104 nan 8.230 nan 0.000 0.442 26 S N 1.191 116.789 115.700 -0.169 0.000 2.573 26 S HA -0.091 4.379 4.470 -0.000 0.000 0.297 26 S C 1.207 175.687 174.600 -0.201 0.000 1.280 26 S CA -0.058 58.052 58.200 -0.149 0.000 1.061 26 S CB 0.284 63.416 63.200 -0.113 0.000 0.812 26 S HN 0.781 nan 8.310 nan 0.000 0.500 27 E N 2.580 122.674 120.200 -0.176 0.000 2.511 27 E HA 0.006 4.356 4.350 -0.000 0.000 0.196 27 E C 1.556 178.076 176.600 -0.135 0.000 1.066 27 E CA 0.710 56.994 56.400 -0.194 0.000 0.871 27 E CB -0.076 29.542 29.700 -0.137 0.000 0.863 27 E HN 0.624 nan 8.360 nan 0.000 0.520 28 A N 1.389 124.145 122.820 -0.107 0.000 1.930 28 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 28 A C 2.111 179.648 177.584 -0.079 0.000 1.176 28 A CA 1.066 53.058 52.037 -0.074 0.000 0.632 28 A CB -0.282 18.683 19.000 -0.059 0.000 0.819 28 A HN 0.275 nan 8.150 nan 0.000 0.445 29 Q N -0.127 119.605 119.800 -0.114 0.000 2.291 29 Q HA -0.076 4.264 4.340 -0.000 0.000 0.205 29 Q C 0.815 176.729 176.000 -0.143 0.000 0.970 29 Q CA 0.542 56.275 55.803 -0.117 0.000 0.876 29 Q CB -0.022 28.633 28.738 -0.139 0.000 0.935 29 Q HN 0.731 nan 8.270 nan 0.000 0.455 33 L N 1.283 122.598 121.223 0.154 0.000 2.044 33 L HA 0.152 4.492 4.340 -0.000 0.000 0.205 33 L C 1.211 178.234 176.870 0.255 0.000 1.075 33 L CA 1.513 56.469 54.840 0.193 0.000 0.747 33 L CB -0.560 41.641 42.059 0.236 0.000 0.903 33 L HN 0.285 nan 8.230 nan 0.000 0.435 37 L N 1.292 122.511 121.223 -0.007 0.000 2.109 37 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 37 L C 3.070 179.913 176.870 -0.045 0.000 1.086 37 L CA 1.915 56.778 54.840 0.038 0.000 0.760 37 L CB -0.694 41.414 42.059 0.082 0.000 0.910 37 L HN 0.323 nan 8.230 nan 0.000 0.437 38 Q N 0.731 120.385 119.800 -0.243 0.000 2.170 38 Q HA 0.063 4.403 4.340 -0.000 0.000 0.203 38 Q C 1.477 177.386 176.000 -0.151 0.000 0.976 38 Q CA 1.325 56.960 55.803 -0.280 0.000 0.858 38 Q CB -0.771 27.652 28.738 -0.525 0.000 0.907 38 Q HN 0.609 nan 8.270 nan 0.000 0.433 42 F N 2.079 121.960 119.950 -0.115 0.000 2.539 42 F HA 0.390 4.917 4.527 -0.000 0.000 0.340 42 F C 2.061 177.784 175.800 -0.129 0.000 1.185 42 F CA 1.573 59.501 58.000 -0.119 0.000 1.333 42 F CB 0.145 39.085 39.000 -0.100 0.000 1.152 42 F HN 0.600 nan 8.300 nan 0.000 0.602 43 E N -0.446 119.793 120.200 0.064 0.000 4.141 43 E HA -0.323 4.027 4.350 -0.000 0.000 0.158 43 E C 1.702 178.219 176.600 -0.139 0.000 1.031 43 E CA 1.263 57.649 56.400 -0.024 0.000 2.664 43 E CB -2.016 27.674 29.700 -0.018 0.000 1.592 43 E HN 0.758 nan 8.360 nan 0.000 0.585 44 E N 0.467 120.516 120.200 -0.251 0.000 2.110 44 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 44 E C 2.463 178.560 176.600 -0.838 0.000 0.988 44 E CA 1.367 57.429 56.400 -0.562 0.000 0.804 44 E CB -0.175 29.180 29.700 -0.575 0.000 0.745 44 E HN 0.742 nan 8.360 nan 0.000 0.458 45 L N 0.811 121.760 121.223 -0.456 0.000 2.156 45 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 45 L C 2.127 178.979 176.870 -0.031 0.000 1.095 45 L CA 0.444 55.137 54.840 -0.244 0.000 0.770 45 L CB -0.412 41.586 42.059 -0.102 0.000 0.914 45 L HN 0.134 nan 8.230 nan 0.000 0.439 46 N N -0.337 118.355 118.700 -0.013 0.000 2.080 46 N HA -0.184 4.556 4.740 -0.000 0.000 0.189 46 N C 2.045 177.635 175.510 0.135 0.000 1.036 46 N CA 1.618 54.718 53.050 0.083 0.000 0.846 46 N CB -0.511 38.006 38.487 0.050 0.000 1.015 46 N HN 0.132 nan 8.380 nan 0.000 0.423 47 S N 0.499 116.214 115.700 0.024 0.000 2.380 47 S HA -0.154 4.316 4.470 -0.000 0.000 0.229 47 S C 1.791 176.515 174.600 0.207 0.000 1.043 47 S CA 1.056 59.291 58.200 0.057 0.000 1.038 47 S CB -0.336 62.843 63.200 -0.036 0.000 0.872 47 S HN 0.172 nan 8.310 nan 0.000 0.456 48 F N 0.693 120.692 119.950 0.082 0.000 2.102 48 F HA 0.094 4.621 4.527 -0.000 0.000 0.298 48 F C 2.075 177.917 175.800 0.071 0.000 1.105 48 F CA 0.409 58.445 58.000 0.060 0.000 1.239 48 F CB -1.621 37.321 39.000 -0.097 0.000 0.991 48 F HN 0.353 nan 8.300 nan 0.000 0.474 49 F N 0.965 121.015 119.950 0.167 0.000 2.186 49 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 49 F C 2.467 178.315 175.800 0.079 0.000 1.090 49 F CA 1.309 59.366 58.000 0.095 0.000 1.307 49 F CB -0.282 38.760 39.000 0.069 0.000 1.019 49 F HN -0.214 nan 8.300 nan 0.000 0.489 50 R N 0.662 121.272 120.500 0.183 0.000 2.088 50 R HA -0.172 4.168 4.340 -0.000 0.000 0.232 50 R C 2.167 178.453 176.300 -0.022 0.000 1.136 50 R CA 2.074 58.213 56.100 0.065 0.000 0.926 50 R CB -0.561 29.804 30.300 0.109 0.000 0.837 50 R HN 0.290 nan 8.270 nan 0.000 0.429 51 K N -0.033 120.394 120.400 0.045 0.000 2.288 51 K HA -0.001 4.319 4.320 -0.000 0.000 0.201 51 K C 1.868 178.453 176.600 -0.026 0.000 1.048 51 K CA 0.984 57.287 56.287 0.028 0.000 0.956 51 K CB 0.103 32.656 32.500 0.089 0.000 0.746 51 K HN 0.166 nan 8.250 nan 0.000 0.461 52 A N 0.782 123.575 122.820 -0.046 0.000 2.123 52 A HA 0.024 4.344 4.320 -0.000 0.000 0.214 52 A C 1.812 179.277 177.584 -0.199 0.000 1.152 52 A CA 0.611 52.586 52.037 -0.103 0.000 0.728 52 A CB 0.026 18.992 19.000 -0.055 0.000 0.814 52 A HN 0.068 nan 8.150 nan 0.000 0.464 53 I N -0.690 119.708 120.570 -0.288 0.000 3.265 53 I HA 0.012 4.181 4.170 -0.000 0.000 0.282 53 I C 2.194 178.205 176.117 -0.176 0.000 1.207 53 I CA 1.061 62.176 61.300 -0.308 0.000 1.449 53 I CB -1.219 36.464 38.000 -0.528 0.000 1.121 53 I HN 0.338 nan 8.210 nan 0.000 0.442 54 G N 0.893 109.617 108.800 -0.126 0.000 2.959 54 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.203 54 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.203 54 G C 1.126 175.976 174.900 -0.083 0.000 1.176 54 G CA 0.399 45.451 45.100 -0.079 0.000 0.860 54 G HN 0.475 nan 8.290 nan 0.000 0.507 55 E N -1.928 118.206 120.200 -0.109 0.000 3.293 55 E HA 0.086 4.435 4.350 -0.000 0.000 0.218 55 E C 2.140 178.669 176.600 -0.117 0.000 1.112 55 E CA 0.266 56.601 56.400 -0.108 0.000 1.642 55 E CB -0.458 29.171 29.700 -0.118 0.000 1.630 55 E HN 0.240 nan 8.360 nan 0.000 0.820 56 F N 2.215 122.090 119.950 -0.125 0.000 2.346 56 F HA -0.101 4.426 4.527 -0.000 0.000 0.301 56 F C 0.786 176.505 175.800 -0.135 0.000 1.070 56 F CA 1.133 59.065 58.000 -0.114 0.000 1.407 56 F CB -0.397 38.538 39.000 -0.108 0.000 1.072 56 F HN -0.120 nan 8.300 nan 0.000 0.543 57 D N -0.650 119.665 120.400 -0.143 0.000 2.481 57 D HA 0.628 5.267 4.640 -0.000 0.000 0.246 57 D C 0.870 177.088 176.300 -0.137 0.000 1.109 57 D CA 0.843 54.744 54.000 -0.165 0.000 0.845 57 D CB 1.346 42.069 40.800 -0.128 0.000 1.160 57 D HN 0.429 nan 8.370 nan 0.000 0.534 58 R N 0.752 121.153 120.500 -0.166 0.000 1.452 58 R HA -0.121 4.219 4.340 -0.000 0.000 0.070 58 R C 1.573 177.822 176.300 -0.086 0.000 0.838 58 R CA 0.557 56.604 56.100 -0.087 0.000 3.121 58 R CB -1.442 28.822 30.300 -0.062 0.000 0.694 58 R HN 0.319 nan 8.270 nan 0.000 0.612 59 S N 1.996 117.638 115.700 -0.096 0.000 2.453 59 S HA -0.092 4.378 4.470 -0.000 0.000 0.231 59 S C 2.187 176.723 174.600 -0.107 0.000 1.005 59 S CA 1.681 59.835 58.200 -0.077 0.000 0.949 59 S CB -0.138 63.024 63.200 -0.064 0.000 0.774 59 S HN 1.092 nan 8.310 nan 0.000 0.510 60 S N 1.817 117.399 115.700 -0.197 0.000 2.380 60 S HA -0.227 4.243 4.470 -0.000 0.000 0.229 60 S C 0.683 175.124 174.600 -0.266 0.000 1.043 60 S CA 1.319 59.339 58.200 -0.300 0.000 1.038 60 S CB -0.758 62.136 63.200 -0.510 0.000 0.872 60 S HN 0.755 nan 8.310 nan 0.000 0.456 61 H N 1.172 120.228 119.070 -0.023 0.000 2.499 61 H HA 0.588 5.144 4.556 -0.000 0.000 0.262 61 H C 0.060 175.378 175.328 -0.018 0.000 1.363 61 H CA -0.455 55.582 56.048 -0.019 0.000 1.072 61 H CB 0.077 29.828 29.762 -0.019 0.000 1.602 61 H HN 0.504 nan 8.280 nan 0.000 0.526 62 Q N 0.581 120.413 119.800 0.053 0.000 2.553 62 Q HA 0.239 4.579 4.340 -0.000 0.000 0.293 62 Q C -0.831 175.177 176.000 0.013 0.000 1.038 62 Q CA -1.181 54.637 55.803 0.026 0.000 0.777 62 Q CB 1.969 30.709 28.738 0.002 0.000 1.487 62 Q HN 0.267 nan 8.270 nan 0.000 0.426 63 E N 0.805 121.009 120.200 0.007 0.000 2.534 63 E HA -0.006 4.344 4.350 -0.000 0.000 0.264 63 E C -0.924 175.672 176.600 -0.007 0.000 0.981 63 E CA 0.455 56.856 56.400 0.002 0.000 0.948 63 E CB 0.581 30.281 29.700 -0.001 0.000 0.934 63 E HN 0.244 nan 8.360 nan 0.000 0.459 64 K N 1.832 122.227 120.400 -0.008 0.000 2.276 64 K HA 0.004 4.324 4.320 -0.000 0.000 0.259 64 K C 1.072 177.657 176.600 -0.024 0.000 1.001 64 K CA 0.305 56.583 56.287 -0.016 0.000 0.927 64 K CB 1.105 33.597 32.500 -0.014 0.000 0.969 64 K HN 0.525 nan 8.250 nan 0.000 0.490 65 V N 1.158 121.051 119.914 -0.035 0.000 2.568 65 V HA -0.236 3.884 4.120 -0.000 0.000 0.253 65 V C 1.211 177.262 176.094 -0.070 0.000 1.072 65 V CA 2.442 64.711 62.300 -0.051 0.000 1.084 65 V CB -0.685 31.102 31.823 -0.060 0.000 0.676 65 V HN 0.887 nan 8.190 nan 0.000 0.469 66 D N 0.671 121.034 120.400 -0.062 0.000 2.264 66 D HA -0.044 4.596 4.640 -0.000 0.000 0.208 66 D C 1.934 178.224 176.300 -0.018 0.000 0.966 66 D CA 1.277 55.240 54.000 -0.062 0.000 0.864 66 D CB -0.223 40.556 40.800 -0.035 0.000 0.933 66 D HN 0.567 nan 8.370 nan 0.000 0.499 67 A N -0.258 122.558 122.820 -0.008 0.000 2.238 67 A HA 0.167 4.487 4.320 -0.000 0.000 0.210 67 A C 1.057 178.649 177.584 0.014 0.000 1.179 67 A CA 0.127 52.172 52.037 0.012 0.000 0.827 67 A CB 0.191 19.196 19.000 0.008 0.000 0.856 67 A HN 0.024 nan 8.150 nan 0.000 0.488 71 P HA 0.351 nan 4.420 nan 0.000 0.286 71 P C -0.327 177.068 177.300 0.158 0.000 1.293 71 P CA -0.541 62.605 63.100 0.077 0.000 0.770 71 P CB 0.352 31.981 31.700 -0.119 0.000 1.206 72 V N 1.379 121.408 119.914 0.192 0.000 2.637 72 V HA 0.187 4.307 4.120 -0.000 0.000 0.296 72 V C -1.834 174.365 176.094 0.174 0.000 1.046 72 V CA -1.027 61.434 62.300 0.267 0.000 1.066 72 V CB -0.201 31.774 31.823 0.253 0.000 0.968 72 V HN 0.591 nan 8.190 nan 0.000 0.483 73 P HA 0.351 nan 4.420 nan 0.000 0.279 73 P C 0.468 177.833 177.300 0.108 0.000 1.239 73 P CA -0.566 62.609 63.100 0.126 0.000 0.789 73 P CB 0.762 32.542 31.700 0.133 0.000 0.933 74 R N 1.623 122.165 120.500 0.070 0.000 2.170 74 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 74 R C 2.512 178.856 176.300 0.073 0.000 1.145 74 R CA 2.282 58.418 56.100 0.060 0.000 0.984 74 R CB -1.055 29.269 30.300 0.041 0.000 0.869 74 R HN 0.650 nan 8.270 nan 0.000 0.455 75 Q N 0.409 120.255 119.800 0.077 0.000 2.291 75 Q HA -0.042 4.298 4.340 -0.000 0.000 0.206 75 Q C 1.986 178.032 176.000 0.076 0.000 0.976 75 Q CA 1.749 57.596 55.803 0.073 0.000 0.875 75 Q CB -0.239 28.540 28.738 0.067 0.000 0.927 75 Q HN 0.275 nan 8.270 nan 0.000 0.450 76 V N -0.911 119.056 119.914 0.090 0.000 3.644 76 V HA 0.250 4.370 4.120 -0.000 0.000 0.267 76 V C 0.394 176.533 176.094 0.075 0.000 1.277 76 V CA 0.103 62.439 62.300 0.060 0.000 1.096 76 V CB 0.705 32.585 31.823 0.094 0.000 0.828 76 V HN 0.564 nan 8.190 nan 0.000 0.446 77 L N 1.428 122.714 121.223 0.105 0.000 2.272 77 L HA 0.798 5.138 4.340 -0.000 0.000 0.289 77 L C 0.371 177.311 176.870 0.116 0.000 1.032 77 L CA 0.075 54.969 54.840 0.091 0.000 0.810 77 L CB 0.835 42.921 42.059 0.045 0.000 1.205 77 L HN 0.087 nan 8.230 nan 0.000 0.422 78 G N 2.128 110.961 108.800 0.056 0.000 2.441 78 G HA2 0.607 4.567 3.960 -0.000 0.000 0.334 78 G HA3 0.607 4.567 3.960 -0.000 0.000 0.334 78 G C -1.372 173.257 174.900 -0.452 0.000 1.161 78 G CA -0.476 44.498 45.100 -0.209 0.000 0.935 78 G HN 0.632 nan 8.290 nan 0.000 0.488 79 S N -0.874 114.600 115.700 -0.378 0.000 2.668 79 S HA 0.510 4.980 4.470 -0.000 0.000 0.277 79 S C 0.977 175.407 174.600 -0.284 0.000 1.170 79 S CA 0.299 58.264 58.200 -0.392 0.000 0.994 79 S CB 1.345 64.435 63.200 -0.183 0.000 1.051 79 S HN 1.282 nan 8.310 nan 0.000 0.484 80 A N 3.381 125.962 122.820 -0.398 0.000 1.978 80 A HA -0.054 4.266 4.320 -0.000 0.000 0.220 80 A C 2.135 179.683 177.584 -0.061 0.000 1.170 80 A CA 2.529 54.475 52.037 -0.153 0.000 0.636 80 A CB -1.342 17.572 19.000 -0.144 0.000 0.810 80 A HN 1.063 nan 8.150 nan 0.000 0.448 81 T N -2.671 111.833 114.554 -0.083 0.000 2.706 81 T HA 0.050 4.400 4.350 -0.000 0.000 0.255 81 T C 1.996 176.680 174.700 -0.026 0.000 1.048 81 T CA 1.606 63.681 62.100 -0.042 0.000 1.153 81 T CB -0.599 68.243 68.868 -0.043 0.000 0.865 81 T HN 0.493 nan 8.240 nan 0.000 0.414 82 R N 1.453 121.935 120.500 -0.030 0.000 2.319 82 R HA 0.227 4.567 4.340 -0.000 0.000 0.204 82 R C 0.319 176.628 176.300 0.016 0.000 0.954 82 R CA 0.626 56.721 56.100 -0.008 0.000 1.066 82 R CB -0.933 29.361 30.300 -0.010 0.000 0.991 82 R HN 0.664 nan 8.270 nan 0.000 0.486 83 D N -0.590 119.829 120.400 0.031 0.000 2.788 83 D HA 0.249 4.889 4.640 -0.000 0.000 0.247 83 D C -0.186 176.110 176.300 -0.006 0.000 1.236 83 D CA -0.525 53.503 54.000 0.047 0.000 0.898 83 D CB 2.093 43.011 40.800 0.197 0.000 1.401 83 D HN 0.040 nan 8.370 nan 0.000 0.549 84 Q N 1.291 121.051 119.800 -0.067 0.000 2.429 84 Q HA 0.086 4.426 4.340 -0.000 0.000 0.230 84 Q C 1.887 177.806 176.000 -0.134 0.000 0.970 84 Q CA 0.250 56.008 55.803 -0.074 0.000 0.778 84 Q CB -1.045 27.663 28.738 -0.050 0.000 2.016 84 Q HN 0.604 nan 8.270 nan 0.000 0.543 85 E N 2.082 122.202 120.200 -0.134 0.000 2.396 85 E HA -0.182 4.168 4.350 -0.000 0.000 0.200 85 E C 1.745 178.187 176.600 -0.263 0.000 1.023 85 E CA 1.202 57.511 56.400 -0.152 0.000 0.857 85 E CB -0.641 28.990 29.700 -0.114 0.000 0.775 85 E HN 0.312 nan 8.360 nan 0.000 0.525 86 Q N -0.584 118.974 119.800 -0.404 0.000 2.152 86 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 86 Q C 2.449 177.916 176.000 -0.888 0.000 0.985 86 Q CA 1.531 56.819 55.803 -0.860 0.000 0.863 86 Q CB -0.248 27.803 28.738 -1.145 0.000 0.904 86 Q HN 0.631 nan 8.270 nan 0.000 0.422 87 L N 0.174 121.173 121.223 -0.374 0.000 2.056 87 L HA -0.226 4.114 4.340 -0.000 0.000 0.207 87 L C 2.977 179.841 176.870 -0.010 0.000 1.078 87 L CA 1.615 56.441 54.840 -0.024 0.000 0.749 87 L CB -0.855 41.239 42.059 0.059 0.000 0.901 87 L HN 0.278 nan 8.230 nan 0.000 0.433 88 Q N -0.014 119.739 119.800 -0.079 0.000 2.167 88 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 88 Q C 2.319 178.288 176.000 -0.052 0.000 0.970 88 Q CA 1.696 57.467 55.803 -0.053 0.000 0.855 88 Q CB -0.893 27.811 28.738 -0.058 0.000 0.911 88 Q HN 0.613 nan 8.270 nan 0.000 0.438 89 A N -0.433 122.303 122.820 -0.140 0.000 1.897 89 A HA -0.034 4.286 4.320 -0.000 0.000 0.215 89 A C 2.106 179.687 177.584 -0.004 0.000 1.181 89 A CA 1.353 53.311 52.037 -0.132 0.000 0.620 89 A CB -0.589 18.243 19.000 -0.281 0.000 0.821 89 A HN 0.788 nan 8.150 nan 0.000 0.443 90 W N -0.006 121.305 121.300 0.019 0.000 2.378 90 W HA -0.069 4.590 4.660 -0.000 0.000 0.313 90 W C 2.181 178.682 176.519 -0.030 0.000 1.197 90 W CA 0.901 58.248 57.345 0.003 0.000 1.304 90 W CB -1.267 28.214 29.460 0.035 0.000 1.148 90 W HN 0.642 nan 8.180 nan 0.000 0.494 91 E N 0.949 121.262 120.200 0.187 0.000 2.082 91 E HA -0.309 4.041 4.350 -0.000 0.000 0.215 91 E C 2.203 178.815 176.600 0.021 0.000 1.048 91 E CA 3.414 59.845 56.400 0.053 0.000 0.869 91 E CB -0.402 29.296 29.700 -0.002 0.000 0.773 91 E HN 0.111 nan 8.360 nan 0.000 0.466 92 S N -0.088 115.639 115.700 0.045 0.000 2.402 92 S HA -0.199 4.271 4.470 -0.000 0.000 0.229 92 S C 1.938 176.619 174.600 0.135 0.000 1.021 92 S CA 1.264 59.526 58.200 0.102 0.000 0.974 92 S CB -0.255 63.049 63.200 0.175 0.000 0.800 92 S HN 0.344 nan 8.310 nan 0.000 0.484 93 E N 2.380 122.642 120.200 0.104 0.000 2.072 93 E HA 0.016 4.365 4.350 -0.000 0.000 0.191 93 E C 2.128 178.739 176.600 0.019 0.000 0.985 93 E CA 1.469 57.914 56.400 0.076 0.000 0.801 93 E CB -1.210 28.547 29.700 0.095 0.000 0.750 93 E HN 0.474 nan 8.360 nan 0.000 0.452 94 G N 1.210 110.015 108.800 0.008 0.000 2.514 94 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 94 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 94 G C 1.639 176.502 174.900 -0.061 0.000 1.198 94 G CA 1.169 46.247 45.100 -0.037 0.000 0.780 94 G HN 0.322 nan 8.290 nan 0.000 0.565 95 L N 1.405 122.589 121.223 -0.066 0.000 2.042 95 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 95 L C 3.382 180.132 176.870 -0.200 0.000 1.076 95 L CA 1.723 56.507 54.840 -0.093 0.000 0.749 95 L CB -0.554 41.486 42.059 -0.033 0.000 0.893 95 L HN 0.500 nan 8.230 nan 0.000 0.432 96 S N -1.063 114.469 115.700 -0.279 0.000 2.355 96 S HA -0.212 4.258 4.470 -0.000 0.000 0.222 96 S C 1.941 176.367 174.600 -0.291 0.000 1.031 96 S CA 0.682 58.509 58.200 -0.621 0.000 0.993 96 S CB -0.365 62.649 63.200 -0.310 0.000 0.859 96 S HN 0.374 nan 8.310 nan 0.000 0.453 97 Q N 1.167 120.887 119.800 -0.134 0.000 2.077 97 Q HA -0.052 4.287 4.340 -0.000 0.000 0.206 97 Q C 2.377 178.345 176.000 -0.053 0.000 0.989 97 Q CA 1.697 57.464 55.803 -0.060 0.000 0.853 97 Q CB -0.614 28.115 28.738 -0.014 0.000 0.907 97 Q HN 0.669 nan 8.270 nan 0.000 0.418 98 I N 0.225 120.757 120.570 -0.064 0.000 2.163 98 I HA -0.270 3.899 4.170 -0.000 0.000 0.243 98 I C 2.578 178.664 176.117 -0.053 0.000 1.085 98 I CA 1.317 62.592 61.300 -0.043 0.000 1.347 98 I CB -0.338 37.629 38.000 -0.054 0.000 1.044 98 I HN 0.123 nan 8.210 nan 0.000 0.408 99 S N 0.077 115.710 115.700 -0.111 0.000 2.447 99 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 99 S C 1.634 176.195 174.600 -0.065 0.000 1.006 99 S CA 1.082 59.222 58.200 -0.100 0.000 0.957 99 S CB -0.147 62.930 63.200 -0.205 0.000 0.773 99 S HN 0.487 nan 8.310 nan 0.000 0.507 100 Q N 0.831 120.589 119.800 -0.071 0.000 2.222 100 Q HA 0.315 4.655 4.340 -0.000 0.000 0.206 100 Q C -0.188 175.810 176.000 -0.003 0.000 0.877 100 Q CA -0.274 55.514 55.803 -0.026 0.000 0.958 100 Q CB 0.168 28.891 28.738 -0.025 0.000 1.075 100 Q HN 0.383 nan 8.270 nan 0.000 0.483 101 N N 1.001 119.701 118.700 -0.000 0.000 2.725 101 N HA -0.191 4.549 4.740 -0.000 0.000 0.249 101 N C -0.379 175.150 175.510 0.032 0.000 1.103 101 N CA 1.001 54.063 53.050 0.020 0.000 0.707 101 N CB -0.628 37.874 38.487 0.025 0.000 1.043 101 N HN 0.441 nan 8.380 nan 0.000 0.553 102 K N -0.199 120.216 120.400 0.026 0.000 2.410 102 K HA 0.234 4.554 4.320 -0.000 0.000 0.200 102 K C 0.015 176.646 176.600 0.053 0.000 1.023 102 K CA 0.178 56.487 56.287 0.037 0.000 1.149 102 K CB 1.026 33.543 32.500 0.028 0.000 0.859 102 K HN -0.048 nan 8.250 nan 0.000 0.514 103 V N 1.059 121.010 119.914 0.062 0.000 2.577 103 V HA 0.576 4.695 4.120 -0.000 0.000 0.303 103 V C -0.599 175.568 176.094 0.122 0.000 1.042 103 V CA -1.020 61.330 62.300 0.083 0.000 0.872 103 V CB 1.602 33.466 31.823 0.068 0.000 0.998 103 V HN 0.185 nan 8.190 nan 0.000 0.423 104 A N 3.796 126.716 122.820 0.167 0.000 2.387 104 A HA 1.013 5.333 4.320 -0.000 0.000 0.303 104 A C -0.526 177.223 177.584 0.274 0.000 1.145 104 A CA -0.477 51.712 52.037 0.254 0.000 0.801 104 A CB 2.194 21.437 19.000 0.406 0.000 1.342 104 A HN 1.580 nan 8.150 nan 0.000 0.440 105 V N -1.500 118.616 119.914 0.337 0.000 3.103 105 V HA 0.919 5.038 4.120 -0.000 0.000 0.318 105 V C -1.266 175.144 176.094 0.526 0.000 1.114 105 V CA -0.836 61.691 62.300 0.380 0.000 1.020 105 V CB 1.727 33.730 31.823 0.301 0.000 1.085 105 V HN 1.162 nan 8.190 nan 0.000 0.446 106 L N 3.242 124.743 121.223 0.463 0.000 2.518 106 L HA 0.638 4.978 4.340 -0.000 0.000 0.262 106 L C -1.174 175.816 176.870 0.200 0.000 0.982 106 L CA -0.424 54.648 54.840 0.387 0.000 0.873 106 L CB 1.094 43.340 42.059 0.311 0.000 1.198 106 L HN 0.926 nan 8.230 nan 0.000 0.427 107 L N 5.390 126.703 121.223 0.150 0.000 2.275 107 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 107 L C -0.923 175.880 176.870 -0.112 0.000 1.046 107 L CA -0.089 54.635 54.840 -0.192 0.000 0.805 107 L CB 1.175 43.248 42.059 0.022 0.000 1.193 107 L HN 0.539 nan 8.230 nan 0.000 0.426 108 L N 6.706 127.824 121.223 -0.174 0.000 2.358 108 L HA 0.488 4.828 4.340 -0.000 0.000 0.274 108 L C 0.707 177.519 176.870 -0.097 0.000 1.136 108 L CA -0.363 54.415 54.840 -0.102 0.000 0.970 108 L CB 0.115 42.140 42.059 -0.057 0.000 1.314 108 L HN 0.818 nan 8.230 nan 0.000 0.427 109 A N 2.158 124.944 122.820 -0.056 0.000 2.366 109 A HA 0.646 4.966 4.320 -0.000 0.000 0.249 109 A C 0.831 178.390 177.584 -0.041 0.000 1.084 109 A CA 0.356 52.378 52.037 -0.026 0.000 0.794 109 A CB 0.691 19.746 19.000 0.093 0.000 1.034 109 A HN 0.678 nan 8.150 nan 0.000 0.491 110 G N -0.204 108.572 108.800 -0.039 0.000 3.411 110 G HA2 0.529 4.489 3.960 -0.000 0.000 0.186 110 G HA3 0.529 4.489 3.960 -0.000 0.000 0.186 110 G C 0.511 175.394 174.900 -0.028 0.000 1.766 110 G CA 0.347 45.425 45.100 -0.035 0.000 0.971 110 G HN 1.274 nan 8.290 nan 0.000 0.590 111 G N -1.426 107.360 108.800 -0.024 0.000 3.264 111 G HA2 0.484 4.444 3.960 -0.000 0.000 0.168 111 G HA3 0.484 4.444 3.960 -0.000 0.000 0.168 111 G C -0.585 174.304 174.900 -0.018 0.000 1.145 111 G CA -0.496 44.595 45.100 -0.016 0.000 0.855 111 G HN 0.524 nan 8.290 nan 0.000 0.629 112 Q N -0.224 119.564 119.800 -0.021 0.000 2.392 112 Q HA 0.372 4.712 4.340 -0.000 0.000 0.262 112 Q C 0.752 176.706 176.000 -0.077 0.000 1.003 112 Q CA 0.187 55.967 55.803 -0.038 0.000 0.888 112 Q CB 0.958 29.674 28.738 -0.036 0.000 1.260 112 Q HN 0.524 nan 8.270 nan 0.000 0.435 113 G N 1.711 110.430 108.800 -0.135 0.000 3.284 113 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.251 113 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.251 113 G C 0.705 175.506 174.900 -0.165 0.000 0.913 113 G CA -0.216 44.780 45.100 -0.173 0.000 1.947 113 G HN 0.578 nan 8.290 nan 0.000 0.635 114 T N 0.792 115.280 114.554 -0.110 0.000 2.652 114 T HA -0.187 4.163 4.350 -0.000 0.000 0.267 114 T C 2.559 177.209 174.700 -0.084 0.000 1.039 114 T CA 1.476 63.526 62.100 -0.084 0.000 1.153 114 T CB -0.055 68.784 68.868 -0.050 0.000 0.863 114 T HN 0.485 nan 8.240 nan 0.000 0.428 115 R N 1.056 121.508 120.500 -0.081 0.000 2.159 115 R HA 0.026 4.366 4.340 -0.000 0.000 0.237 115 R C 1.928 178.164 176.300 -0.106 0.000 1.131 115 R CA 1.296 57.350 56.100 -0.077 0.000 0.982 115 R CB -0.675 29.584 30.300 -0.069 0.000 0.868 115 R HN 0.415 nan 8.270 nan 0.000 0.453 116 L N -1.084 120.049 121.223 -0.149 0.000 2.558 116 L HA 0.288 4.628 4.340 -0.000 0.000 0.225 116 L C 1.021 177.814 176.870 -0.129 0.000 1.128 116 L CA 0.429 55.156 54.840 -0.189 0.000 0.868 116 L CB -0.114 41.754 42.059 -0.319 0.000 1.006 116 L HN 0.549 nan 8.230 nan 0.000 0.454 117 G N 1.269 110.002 108.800 -0.112 0.000 2.165 117 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 117 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 117 G C -0.035 174.802 174.900 -0.105 0.000 1.035 117 G CA 0.125 45.177 45.100 -0.080 0.000 0.744 117 G HN 0.285 nan 8.290 nan 0.000 0.501 118 V N -3.538 116.261 119.914 -0.192 0.000 3.159 118 V HA 0.917 5.037 4.120 -0.000 0.000 0.308 118 V C 0.900 176.815 176.094 -0.298 0.000 1.190 118 V CA 0.317 62.426 62.300 -0.318 0.000 1.037 118 V CB 1.539 32.915 31.823 -0.746 0.000 1.060 118 V HN 1.023 nan 8.190 nan 0.000 0.437 119 S N -0.185 115.384 115.700 -0.217 0.000 2.575 119 S HA 0.267 4.736 4.470 -0.000 0.000 0.215 119 S C 0.252 174.845 174.600 -0.013 0.000 0.966 119 S CA 0.230 58.386 58.200 -0.072 0.000 0.911 119 S CB -0.863 62.348 63.200 0.017 0.000 0.780 119 S HN 1.210 nan 8.310 nan 0.000 0.514 120 Y N -0.123 120.176 120.300 -0.002 0.000 2.528 120 Y HA 0.869 5.419 4.550 -0.000 0.000 0.335 120 Y C -3.159 172.728 175.900 -0.020 0.000 1.093 120 Y CA -3.810 54.279 58.100 -0.018 0.000 1.134 120 Y CB 0.038 38.471 38.460 -0.044 0.000 1.253 120 Y HN -0.183 nan 8.280 nan 0.000 0.478 121 P HA 0.172 nan 4.420 nan 0.000 0.274 121 P C 0.319 177.654 177.300 0.058 0.000 1.231 121 P CA -0.059 63.080 63.100 0.064 0.000 0.790 121 P CB 0.970 32.712 31.700 0.070 0.000 0.951 122 K N 2.109 122.481 120.400 -0.048 0.000 2.211 122 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 122 K C 1.488 177.980 176.600 -0.179 0.000 1.047 122 K CA 1.525 57.771 56.287 -0.067 0.000 0.935 122 K CB -1.520 30.907 32.500 -0.121 0.000 0.728 122 K HN 0.751 nan 8.250 nan 0.000 0.452 126 D N 4.655 124.850 120.400 -0.342 0.000 2.393 126 D HA 0.199 4.839 4.640 -0.000 0.000 0.232 126 D C 0.990 177.192 176.300 -0.164 0.000 1.192 126 D CA 0.052 53.956 54.000 -0.160 0.000 0.882 126 D CB 1.132 41.877 40.800 -0.093 0.000 1.038 126 D HN 0.417 nan 8.370 nan 0.000 0.499 127 V N 1.973 121.916 119.914 0.050 0.000 3.444 127 V HA 0.220 4.340 4.120 -0.000 0.000 0.271 127 V C 1.425 177.506 176.094 -0.021 0.000 1.188 127 V CA 0.410 62.782 62.300 0.119 0.000 1.168 127 V CB -1.081 30.787 31.823 0.075 0.000 0.810 127 V HN 0.744 nan 8.190 nan 0.000 0.500 128 G N 0.167 108.913 108.800 -0.091 0.000 2.203 128 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.231 128 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.231 128 G C -0.184 174.502 174.900 -0.358 0.000 1.058 128 G CA 0.178 45.150 45.100 -0.213 0.000 0.781 128 G HN 0.550 nan 8.290 nan 0.000 0.496 129 L N -0.294 120.735 121.223 -0.323 0.000 2.476 129 L HA 0.210 4.549 4.340 -0.000 0.000 0.264 129 L C 0.061 176.688 176.870 -0.405 0.000 1.224 129 L CA -1.324 53.349 54.840 -0.277 0.000 0.821 129 L CB 0.346 42.308 42.059 -0.162 0.000 1.101 129 L HN -0.008 nan 8.230 nan 0.000 0.488 130 P HA -0.174 nan 4.420 nan 0.000 0.216 130 P C 1.352 178.609 177.300 -0.071 0.000 1.150 130 P CA 1.506 64.521 63.100 -0.141 0.000 0.837 130 P CB -0.005 31.661 31.700 -0.057 0.000 0.786 131 S N -2.376 113.293 115.700 -0.053 0.000 2.522 131 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 131 S C 0.961 175.622 174.600 0.101 0.000 0.986 131 S CA 0.171 58.387 58.200 0.027 0.000 0.929 131 S CB -1.327 61.890 63.200 0.027 0.000 0.769 131 S HN 0.210 nan 8.310 nan 0.000 0.529 132 H N 0.780 119.850 119.070 -0.001 0.000 2.776 132 H HA -0.099 4.457 4.556 -0.000 0.000 0.300 132 H C -0.322 175.014 175.328 0.015 0.000 1.161 132 H CA 1.274 57.320 56.048 -0.004 0.000 1.147 132 H CB -1.658 28.101 29.762 -0.005 0.000 1.366 132 H HN 0.625 nan 8.280 nan 0.000 0.397 133 K N 1.301 121.751 120.400 0.082 0.000 2.237 133 K HA 0.161 4.481 4.320 -0.000 0.000 0.270 133 K C 1.211 177.844 176.600 0.056 0.000 1.015 133 K CA 0.404 56.737 56.287 0.075 0.000 0.949 133 K CB 0.850 33.377 32.500 0.046 0.000 0.976 133 K HN 0.270 nan 8.250 nan 0.000 0.472 134 T N -0.834 113.766 114.554 0.076 0.000 2.754 134 T HA 0.153 4.503 4.350 -0.000 0.000 0.286 134 T C 1.549 176.272 174.700 0.038 0.000 0.997 134 T CA -0.625 61.519 62.100 0.073 0.000 0.982 134 T CB 0.430 69.402 68.868 0.174 0.000 1.027 134 T HN 0.432 nan 8.240 nan 0.000 0.529 135 L N -0.745 120.494 121.223 0.027 0.000 2.005 135 L HA 0.017 4.357 4.340 -0.000 0.000 0.207 135 L C 2.681 179.606 176.870 0.092 0.000 1.072 135 L CA 1.278 56.131 54.840 0.022 0.000 0.744 135 L CB -0.720 41.320 42.059 -0.032 0.000 0.895 135 L HN 0.524 nan 8.230 nan 0.000 0.433 136 F N 0.686 120.678 119.950 0.069 0.000 2.111 136 F HA -0.363 4.163 4.527 -0.000 0.000 0.300 136 F C 2.805 178.398 175.800 -0.346 0.000 1.088 136 F CA 2.034 60.065 58.000 0.052 0.000 1.243 136 F CB -0.843 38.212 39.000 0.092 0.000 0.996 136 F HN 0.203 nan 8.300 nan 0.000 0.483 137 Q N 0.314 119.851 119.800 -0.438 0.000 2.016 137 Q HA -0.169 4.171 4.340 -0.000 0.000 0.200 137 Q C 2.336 178.205 176.000 -0.219 0.000 0.978 137 Q CA 1.929 57.293 55.803 -0.732 0.000 0.833 137 Q CB -0.356 28.148 28.738 -0.390 0.000 0.895 137 Q HN 0.437 nan 8.270 nan 0.000 0.427 138 I N 0.711 121.238 120.570 -0.072 0.000 2.145 138 I HA -0.396 3.774 4.170 -0.000 0.000 0.244 138 I C 2.557 178.676 176.117 0.002 0.000 1.075 138 I CA 1.751 63.045 61.300 -0.010 0.000 1.332 138 I CB -0.299 37.707 38.000 0.011 0.000 1.033 138 I HN 0.406 nan 8.210 nan 0.000 0.410 139 Q N 0.308 120.145 119.800 0.062 0.000 2.020 139 Q HA -0.194 4.145 4.340 -0.000 0.000 0.202 139 Q C 2.516 178.455 176.000 -0.101 0.000 0.982 139 Q CA 1.738 57.579 55.803 0.064 0.000 0.838 139 Q CB -0.390 28.557 28.738 0.348 0.000 0.899 139 Q HN 0.590 nan 8.270 nan 0.000 0.423 140 A N 1.615 124.416 122.820 -0.031 0.000 1.903 140 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 140 A C 1.825 179.391 177.584 -0.031 0.000 1.191 140 A CA 1.963 53.956 52.037 -0.073 0.000 0.638 140 A CB -0.609 18.527 19.000 0.226 0.000 0.823 140 A HN 0.397 nan 8.150 nan 0.000 0.451 141 E N -0.976 119.228 120.200 0.006 0.000 2.347 141 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 141 E C 2.167 178.794 176.600 0.045 0.000 1.008 141 E CA 0.635 57.063 56.400 0.048 0.000 0.852 141 E CB -0.089 29.645 29.700 0.056 0.000 0.783 141 E HN 0.580 nan 8.360 nan 0.000 0.505 142 R N 0.241 120.745 120.500 0.007 0.000 2.153 142 R HA 0.027 4.367 4.340 -0.000 0.000 0.218 142 R C 2.193 178.556 176.300 0.105 0.000 1.072 142 R CA 0.629 56.765 56.100 0.061 0.000 0.990 142 R CB -0.025 30.235 30.300 -0.067 0.000 0.889 142 R HN 0.166 nan 8.270 nan 0.000 0.452 143 I N 0.568 121.113 120.570 -0.043 0.000 2.315 143 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 143 I C 2.034 178.159 176.117 0.013 0.000 1.117 143 I CA 1.200 62.461 61.300 -0.066 0.000 1.404 143 I CB -0.104 37.752 38.000 -0.239 0.000 1.071 143 I HN 0.148 nan 8.210 nan 0.000 0.419 144 L N 0.469 121.716 121.223 0.041 0.000 2.056 144 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 144 L C 2.569 179.480 176.870 0.068 0.000 1.078 144 L CA 1.165 56.045 54.840 0.066 0.000 0.749 144 L CB -0.341 41.771 42.059 0.089 0.000 0.901 144 L HN 0.110 nan 8.230 nan 0.000 0.433 145 K N 0.473 120.928 120.400 0.092 0.000 2.097 145 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 145 K C 1.931 178.561 176.600 0.051 0.000 1.049 145 K CA 1.562 57.908 56.287 0.099 0.000 0.933 145 K CB -0.404 32.200 32.500 0.173 0.000 0.717 145 K HN 0.170 nan 8.250 nan 0.000 0.442 146 L N 0.376 121.619 121.223 0.033 0.000 2.027 146 L HA -0.216 4.124 4.340 -0.000 0.000 0.206 146 L C 2.580 179.428 176.870 -0.037 0.000 1.074 146 L CA 1.473 56.267 54.840 -0.076 0.000 0.745 146 L CB -0.388 41.614 42.059 -0.095 0.000 0.898 146 L HN 0.334 nan 8.230 nan 0.000 0.433 147 Q N -0.516 119.285 119.800 0.001 0.000 2.112 147 Q HA -0.309 4.031 4.340 -0.000 0.000 0.206 147 Q C 2.238 178.251 176.000 0.022 0.000 0.987 147 Q CA 1.951 57.762 55.803 0.014 0.000 0.858 147 Q CB -0.142 28.614 28.738 0.030 0.000 0.905 147 Q HN 0.577 nan 8.270 nan 0.000 0.420 148 Q N 0.085 119.902 119.800 0.029 0.000 2.046 148 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 148 Q C 2.183 178.201 176.000 0.031 0.000 0.975 148 Q CA 0.982 56.807 55.803 0.036 0.000 0.836 148 Q CB -0.032 28.733 28.738 0.046 0.000 0.896 148 Q HN 0.356 nan 8.270 nan 0.000 0.428 149 L N 0.193 121.420 121.223 0.006 0.000 2.017 149 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 149 L C 2.510 179.389 176.870 0.016 0.000 1.073 149 L CA 1.018 55.850 54.840 -0.013 0.000 0.745 149 L CB -0.659 41.348 42.059 -0.086 0.000 0.894 149 L HN 0.249 nan 8.230 nan 0.000 0.432 150 A N -0.488 122.332 122.820 0.002 0.000 1.978 150 A HA -0.268 4.052 4.320 -0.000 0.000 0.220 150 A C 2.267 179.923 177.584 0.121 0.000 1.170 150 A CA 2.009 54.074 52.037 0.046 0.000 0.636 150 A CB -0.466 18.526 19.000 -0.014 0.000 0.810 150 A HN 0.528 nan 8.150 nan 0.000 0.448 151 E N 0.229 120.481 120.200 0.087 0.000 2.086 151 E HA -0.197 4.153 4.350 -0.000 0.000 0.190 151 E C 1.899 178.560 176.600 0.103 0.000 0.975 151 E CA 1.236 57.690 56.400 0.091 0.000 0.813 151 E CB -0.097 29.639 29.700 0.059 0.000 0.768 151 E HN 0.671 nan 8.360 nan 0.000 0.457 152 K N -0.416 120.043 120.400 0.098 0.000 2.360 152 K HA -0.169 4.151 4.320 -0.000 0.000 0.201 152 K C 1.786 178.460 176.600 0.123 0.000 1.046 152 K CA 1.658 58.000 56.287 0.091 0.000 0.945 152 K CB -0.194 32.354 32.500 0.080 0.000 0.750 152 K HN 0.197 nan 8.250 nan 0.000 0.464 153 H N -1.487 117.613 119.070 0.049 0.000 2.740 153 H HA 0.126 4.682 4.556 -0.000 0.000 0.265 153 H C 0.413 175.728 175.328 -0.022 0.000 0.978 153 H CA 0.371 56.441 56.048 0.037 0.000 1.198 153 H CB 0.566 30.389 29.762 0.102 0.000 1.467 153 H HN 0.407 nan 8.280 nan 0.000 0.511 154 H N -2.007 117.084 119.070 0.034 0.000 3.680 154 H HA 0.202 4.758 4.556 -0.000 0.000 0.260 154 H C 1.408 176.733 175.328 -0.005 0.000 1.183 154 H CA 0.656 56.704 56.048 0.001 0.000 1.159 154 H CB 1.611 31.394 29.762 0.035 0.000 1.567 154 H HN 0.485 nan 8.280 nan 0.000 0.648 155 G N 0.341 109.192 108.800 0.084 0.000 3.586 155 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.212 155 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.212 155 G C 0.733 175.669 174.900 0.060 0.000 1.411 155 G CA 0.116 45.245 45.100 0.049 0.000 0.898 155 G HN 0.753 nan 8.290 nan 0.000 0.575 156 N N 1.564 120.308 118.700 0.075 0.000 2.492 156 N HA 0.667 5.407 4.740 -0.000 0.000 0.260 156 N C 0.398 175.938 175.510 0.050 0.000 1.215 156 N CA 1.823 54.906 53.050 0.054 0.000 0.923 156 N CB 0.009 38.526 38.487 0.050 0.000 1.092 156 N HN 1.708 nan 8.380 nan 0.000 0.448 157 K N -0.512 119.910 120.400 0.038 0.000 2.168 157 K HA 0.695 5.015 4.320 -0.000 0.000 0.258 157 K C 0.610 177.227 176.600 0.029 0.000 1.010 157 K CA 0.187 56.495 56.287 0.034 0.000 0.929 157 K CB -0.253 32.265 32.500 0.030 0.000 0.998 157 K HN 1.976 nan 8.250 nan 0.000 0.479 158 C N -1.332 117.984 119.300 0.027 0.000 3.311 158 C HA 0.891 5.351 4.460 -0.000 0.000 0.325 158 C C -0.073 174.932 174.990 0.025 0.000 1.352 158 C CA -0.006 59.026 59.018 0.022 0.000 1.308 158 C CB 1.158 28.905 27.740 0.013 0.000 1.619 158 C HN 1.291 nan 8.230 nan 0.000 0.469 159 T N -0.949 113.621 114.554 0.027 0.000 2.924 159 T HA 0.780 5.130 4.350 -0.000 0.000 0.291 159 T C -0.823 173.899 174.700 0.037 0.000 1.045 159 T CA -0.610 61.509 62.100 0.033 0.000 1.015 159 T CB 1.303 70.191 68.868 0.033 0.000 1.103 159 T HN 0.805 nan 8.240 nan 0.000 0.496 160 I N 2.630 123.225 120.570 0.040 0.000 2.502 160 I HA 0.320 4.490 4.170 -0.000 0.000 0.276 160 I C -2.511 173.646 176.117 0.067 0.000 1.057 160 I CA -2.454 58.876 61.300 0.051 0.000 1.163 160 I CB 1.503 39.520 38.000 0.028 0.000 1.288 160 I HN 0.408 nan 8.210 nan 0.000 0.479 161 P HA -0.094 nan 4.420 nan 0.000 0.267 161 P C -0.987 176.370 177.300 0.094 0.000 1.200 161 P CA 0.034 63.143 63.100 0.014 0.000 0.772 161 P CB 0.403 32.066 31.700 -0.062 0.000 0.855 162 W N 4.804 125.978 121.300 -0.210 0.000 2.413 162 W HA 0.326 4.986 4.660 -0.000 0.000 0.308 162 W C -1.483 174.896 176.519 -0.234 0.000 0.997 162 W CA -1.005 56.289 57.345 -0.086 0.000 1.447 162 W CB -0.197 29.262 29.460 -0.002 0.000 1.263 162 W HN 0.330 nan 8.180 nan 0.000 0.416 163 Y N 6.092 126.566 120.300 0.290 0.000 2.452 163 Y HA 0.309 4.859 4.550 -0.000 0.000 0.348 163 Y C 0.904 176.893 175.900 0.148 0.000 0.985 163 Y CA 0.075 58.272 58.100 0.162 0.000 1.214 163 Y CB 0.393 38.963 38.460 0.184 0.000 1.136 163 Y HN 0.080 nan 8.280 nan 0.000 0.523 167 S N 0.720 116.385 115.700 -0.059 0.000 2.584 167 S HA 0.423 4.893 4.470 -0.000 0.000 0.270 167 S C 1.783 176.362 174.600 -0.037 0.000 1.346 167 S CA 0.361 58.534 58.200 -0.044 0.000 1.018 167 S CB 0.783 63.968 63.200 -0.025 0.000 0.899 167 S HN 1.230 nan 8.310 nan 0.000 0.542 168 G N 1.649 110.433 108.800 -0.027 0.000 2.450 168 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.220 168 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.220 168 G C 1.522 176.413 174.900 -0.016 0.000 1.130 168 G CA 0.607 45.696 45.100 -0.019 0.000 0.760 168 G HN 0.816 nan 8.290 nan 0.000 0.557 169 R N 0.435 120.928 120.500 -0.012 0.000 2.070 169 R HA 0.018 4.358 4.340 -0.000 0.000 0.232 169 R C 1.980 178.276 176.300 -0.008 0.000 1.138 169 R CA 1.438 57.534 56.100 -0.007 0.000 0.936 169 R CB -1.076 29.223 30.300 -0.002 0.000 0.839 169 R HN 0.461 nan 8.270 nan 0.000 0.429 173 S N 0.793 116.471 115.700 -0.037 0.000 2.382 173 S HA -0.090 4.380 4.470 -0.000 0.000 0.228 173 S C 1.937 176.564 174.600 0.045 0.000 1.027 173 S CA 1.916 60.124 58.200 0.013 0.000 0.991 173 S CB -0.243 62.979 63.200 0.036 0.000 0.823 173 S HN 0.177 nan 8.310 nan 0.000 0.469 174 T N 2.347 116.889 114.554 -0.020 0.000 2.896 174 T HA 0.042 4.392 4.350 -0.000 0.000 0.263 174 T C 1.723 176.325 174.700 -0.164 0.000 1.050 174 T CA 0.842 62.947 62.100 0.009 0.000 1.140 174 T CB -0.130 68.689 68.868 -0.082 0.000 0.877 174 T HN 0.403 nan 8.240 nan 0.000 0.457 175 K N 1.238 121.376 120.400 -0.437 0.000 2.057 175 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 175 K C 2.930 179.442 176.600 -0.145 0.000 1.049 175 K CA 1.571 57.585 56.287 -0.454 0.000 0.931 175 K CB -0.285 31.963 32.500 -0.419 0.000 0.714 175 K HN 0.528 nan 8.250 nan 0.000 0.440 176 E N 1.259 121.428 120.200 -0.052 0.000 2.077 176 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 176 E C 1.649 178.292 176.600 0.072 0.000 0.989 176 E CA 1.412 57.819 56.400 0.010 0.000 0.800 176 E CB -0.930 28.787 29.700 0.028 0.000 0.746 176 E HN 0.337 nan 8.360 nan 0.000 0.452 177 F N 0.069 120.022 119.950 0.004 0.000 2.102 177 F HA 0.007 4.534 4.527 -0.000 0.000 0.298 177 F C 2.084 177.903 175.800 0.031 0.000 1.105 177 F CA 1.524 59.575 58.000 0.085 0.000 1.239 177 F CB -0.418 38.678 39.000 0.159 0.000 0.991 177 F HN 0.189 nan 8.300 nan 0.000 0.474 178 F N 0.565 120.333 119.950 -0.303 0.000 2.134 178 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 178 F C 2.572 177.882 175.800 -0.817 0.000 1.097 178 F CA 1.999 59.569 58.000 -0.716 0.000 1.264 178 F CB -1.261 37.250 39.000 -0.815 0.000 1.001 178 F HN -0.110 nan 8.300 nan 0.000 0.479 179 T N -0.311 114.029 114.554 -0.358 0.000 2.674 179 T HA -0.228 4.122 4.350 -0.000 0.000 0.265 179 T C 2.354 176.937 174.700 -0.195 0.000 1.039 179 T CA 2.288 64.299 62.100 -0.148 0.000 1.150 179 T CB -0.787 68.077 68.868 -0.007 0.000 0.864 179 T HN 0.297 nan 8.240 nan 0.000 0.427 180 K N 1.206 121.464 120.400 -0.236 0.000 2.144 180 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 180 K C 1.576 177.801 176.600 -0.626 0.000 1.047 180 K CA 2.204 58.269 56.287 -0.371 0.000 0.927 180 K CB -1.321 30.959 32.500 -0.367 0.000 0.716 180 K HN 0.752 nan 8.250 nan 0.000 0.454 181 H N -1.003 117.689 119.070 -0.630 0.000 2.488 181 H HA 0.400 4.956 4.556 -0.000 0.000 0.294 181 H C 1.031 175.995 175.328 -0.607 0.000 1.088 181 H CA 0.423 56.005 56.048 -0.777 0.000 1.086 181 H CB 0.202 29.070 29.762 -1.490 0.000 1.569 181 H HN 0.606 nan 8.280 nan 0.000 0.548 182 K N 0.492 120.755 120.400 -0.228 0.000 3.213 182 K HA -0.284 4.036 4.320 -0.000 0.000 0.266 182 K C 0.411 177.115 176.600 0.174 0.000 0.911 182 K CA 1.059 57.370 56.287 0.041 0.000 0.684 182 K CB -3.270 29.236 32.500 0.009 0.000 1.402 182 K HN 0.580 nan 8.250 nan 0.000 0.465 183 F N -2.443 117.391 119.950 -0.193 0.000 3.100 183 F HA -0.266 4.261 4.527 -0.000 0.000 0.283 183 F C 1.042 176.902 175.800 0.101 0.000 0.900 183 F CA 1.496 59.508 58.000 0.021 0.000 1.010 183 F CB -2.769 36.361 39.000 0.217 0.000 1.029 183 F HN 0.858 nan 8.300 nan 0.000 0.637 184 F N -1.692 118.301 119.950 0.072 0.000 3.059 184 F HA -0.223 4.304 4.527 -0.000 0.000 0.290 184 F C 1.684 177.552 175.800 0.114 0.000 0.786 184 F CA 1.648 59.679 58.000 0.052 0.000 1.060 184 F CB -1.531 37.473 39.000 0.008 0.000 1.327 184 F HN 0.630 nan 8.300 nan 0.000 0.409 185 G N -1.339 107.611 108.800 0.250 0.000 2.380 185 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.197 185 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.197 185 G C 0.152 175.172 174.900 0.200 0.000 1.001 185 G CA -0.232 44.985 45.100 0.195 0.000 0.668 185 G HN 0.368 nan 8.290 nan 0.000 0.483 186 L N 1.180 122.577 121.223 0.289 0.000 2.456 186 L HA 0.495 4.835 4.340 -0.000 0.000 0.257 186 L C 0.811 177.786 176.870 0.175 0.000 1.162 186 L CA -0.743 54.252 54.840 0.257 0.000 0.808 186 L CB 0.712 43.000 42.059 0.381 0.000 1.136 186 L HN 0.001 nan 8.230 nan 0.000 0.466 187 K N 0.720 121.164 120.400 0.072 0.000 2.270 187 K HA 0.181 4.501 4.320 -0.000 0.000 0.276 187 K C 0.838 177.300 176.600 -0.230 0.000 1.023 187 K CA -0.082 56.166 56.287 -0.065 0.000 0.955 187 K CB 0.940 33.414 32.500 -0.043 0.000 0.975 187 K HN 0.601 nan 8.250 nan 0.000 0.471 188 K N 1.936 121.984 120.400 -0.586 0.000 2.288 188 K HA -0.116 4.204 4.320 -0.000 0.000 0.201 188 K C 2.170 178.539 176.600 -0.384 0.000 1.048 188 K CA 1.853 57.527 56.287 -1.023 0.000 0.956 188 K CB -1.119 30.564 32.500 -1.363 0.000 0.746 188 K HN 0.769 nan 8.250 nan 0.000 0.461 189 E N 1.757 121.820 120.200 -0.228 0.000 2.204 189 E HA -0.170 4.180 4.350 -0.000 0.000 0.195 189 E C 1.643 178.182 176.600 -0.101 0.000 0.990 189 E CA 1.353 57.680 56.400 -0.121 0.000 0.821 189 E CB -0.559 29.093 29.700 -0.080 0.000 0.750 189 E HN 0.699 nan 8.360 nan 0.000 0.477 190 N N -0.540 118.106 118.700 -0.090 0.000 2.230 190 N HA 0.138 4.878 4.740 -0.000 0.000 0.202 190 N C -0.689 174.793 175.510 -0.046 0.000 1.119 190 N CA 0.128 53.142 53.050 -0.060 0.000 0.851 190 N CB 1.477 39.968 38.487 0.006 0.000 0.990 190 N HN 0.274 nan 8.380 nan 0.000 0.497 191 V N 1.385 121.257 119.914 -0.071 0.000 2.357 191 V HA 0.375 4.495 4.120 -0.000 0.000 0.284 191 V C -0.138 175.715 176.094 -0.403 0.000 1.018 191 V CA -0.745 61.426 62.300 -0.215 0.000 0.841 191 V CB 2.071 33.836 31.823 -0.097 0.000 0.991 191 V HN -0.250 nan 8.190 nan 0.000 0.437 192 V N 6.037 125.644 119.914 -0.511 0.000 2.350 192 V HA 0.504 4.624 4.120 -0.000 0.000 0.285 192 V C -0.508 175.454 176.094 -0.220 0.000 1.014 192 V CA -0.427 61.700 62.300 -0.289 0.000 0.831 192 V CB 1.104 32.788 31.823 -0.232 0.000 1.000 192 V HN 0.650 nan 8.190 nan 0.000 0.433 193 F N 5.831 125.818 119.950 0.061 0.000 2.397 193 F HA 0.825 5.352 4.527 -0.000 0.000 0.331 193 F C -0.007 175.966 175.800 0.287 0.000 1.090 193 F CA -0.611 57.440 58.000 0.085 0.000 1.065 193 F CB 1.382 40.339 39.000 -0.071 0.000 1.184 193 F HN 0.533 nan 8.300 nan 0.000 0.499 194 F N -0.666 119.389 119.950 0.175 0.000 2.686 194 F HA 0.553 5.080 4.527 -0.000 0.000 0.311 194 F C -1.488 174.361 175.800 0.082 0.000 1.128 194 F CA -1.526 56.542 58.000 0.114 0.000 0.946 194 F CB 1.430 40.487 39.000 0.095 0.000 1.336 194 F HN 0.440 nan 8.300 nan 0.000 0.457 195 Q N 1.724 121.523 119.800 -0.002 0.000 2.293 195 Q HA 0.285 4.625 4.340 -0.000 0.000 0.261 195 Q C -0.833 175.106 176.000 -0.101 0.000 0.960 195 Q CA -0.850 54.905 55.803 -0.081 0.000 0.882 195 Q CB 1.803 30.550 28.738 0.015 0.000 1.275 195 Q HN 0.812 nan 8.270 nan 0.000 0.445 196 Q N 1.710 121.425 119.800 -0.143 0.000 2.332 196 Q HA 0.276 4.616 4.340 -0.000 0.000 0.263 196 Q C -0.086 175.901 176.000 -0.021 0.000 0.979 196 Q CA -0.070 55.681 55.803 -0.087 0.000 0.885 196 Q CB 0.767 29.449 28.738 -0.094 0.000 1.218 196 Q HN 0.863 nan 8.270 nan 0.000 0.405 200 P HA 0.493 nan 4.420 nan 0.000 0.287 200 P C -0.704 176.627 177.300 0.052 0.000 1.270 200 P CA -0.410 62.715 63.100 0.041 0.000 0.844 200 P CB 1.675 33.399 31.700 0.040 0.000 1.068 204 F N 1.293 121.263 119.950 0.034 0.000 2.373 204 F HA 0.053 4.580 4.527 -0.000 0.000 0.300 204 F C 1.439 177.339 175.800 0.167 0.000 1.080 204 F CA 0.895 58.972 58.000 0.127 0.000 1.417 204 F CB -0.764 38.276 39.000 0.067 0.000 1.070 204 F HN 0.570 nan 8.300 nan 0.000 0.546 205 D N -0.718 119.766 120.400 0.140 0.000 2.325 205 D HA 0.212 4.852 4.640 -0.000 0.000 0.225 205 D C 1.946 178.092 176.300 -0.258 0.000 1.096 205 D CA 0.705 54.722 54.000 0.028 0.000 0.844 205 D CB -0.346 40.431 40.800 -0.038 0.000 0.925 205 D HN 0.256 nan 8.370 nan 0.000 0.513 206 G N 0.180 108.551 108.800 -0.714 0.000 2.203 206 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.263 206 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.263 206 G C 0.527 175.043 174.900 -0.639 0.000 1.012 206 G CA 0.722 44.866 45.100 -1.593 0.000 0.749 206 G HN 0.683 nan 8.290 nan 0.000 0.512 207 K N 0.273 120.454 120.400 -0.364 0.000 2.227 207 K HA 0.788 5.108 4.320 -0.000 0.000 0.280 207 K C 0.616 177.175 176.600 -0.069 0.000 1.041 207 K CA -0.450 55.727 56.287 -0.183 0.000 0.905 207 K CB 0.690 32.988 32.500 -0.337 0.000 1.068 207 K HN 0.608 nan 8.250 nan 0.000 0.470 208 I N 2.028 122.670 120.570 0.118 0.000 2.815 208 I HA 0.061 4.230 4.170 -0.000 0.000 0.291 208 I C 0.473 176.719 176.117 0.215 0.000 1.209 208 I CA 0.203 61.587 61.300 0.139 0.000 1.431 208 I CB 0.561 38.653 38.000 0.154 0.000 1.351 208 I HN 0.566 nan 8.210 nan 0.000 0.585 209 I N 6.578 127.220 120.570 0.121 0.000 2.359 209 I HA 0.285 4.455 4.170 -0.000 0.000 0.294 209 I C -0.330 175.881 176.117 0.156 0.000 0.987 209 I CA -0.629 60.746 61.300 0.125 0.000 1.225 209 I CB 1.282 39.314 38.000 0.054 0.000 1.366 209 I HN 0.321 nan 8.210 nan 0.000 0.466 210 L N 5.937 127.283 121.223 0.206 0.000 2.260 210 L HA 0.217 4.556 4.340 -0.000 0.000 0.289 210 L C 1.393 178.360 176.870 0.162 0.000 1.057 210 L CA -0.015 54.932 54.840 0.178 0.000 0.811 210 L CB 1.279 43.478 42.059 0.234 0.000 1.184 210 L HN 0.714 nan 8.230 nan 0.000 0.429 211 E N 2.609 122.865 120.200 0.094 0.000 2.106 211 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 211 E C 0.135 176.679 176.600 -0.095 0.000 0.984 211 E CA 1.062 57.503 56.400 0.069 0.000 0.806 211 E CB 0.521 30.237 29.700 0.027 0.000 0.750 211 E HN 0.689 nan 8.360 nan 0.000 0.458 212 E N -1.650 118.454 120.200 -0.160 0.000 2.445 212 E HA 0.234 4.584 4.350 -0.000 0.000 0.273 212 E C 0.085 176.523 176.600 -0.270 0.000 0.961 212 E CA -0.674 55.552 56.400 -0.291 0.000 0.807 212 E CB 1.378 30.859 29.700 -0.365 0.000 1.362 212 E HN -0.131 nan 8.360 nan 0.000 0.453 213 K N 0.564 120.683 120.400 -0.468 0.000 2.173 213 K HA -0.189 4.131 4.320 -0.000 0.000 0.207 213 K C 0.943 177.460 176.600 -0.138 0.000 1.046 213 K CA 1.784 57.710 56.287 -0.602 0.000 0.929 213 K CB -0.136 31.964 32.500 -0.666 0.000 0.720 213 K HN 0.351 nan 8.250 nan 0.000 0.453 214 N N -0.776 117.859 118.700 -0.109 0.000 2.197 214 N HA 0.002 4.742 4.740 -0.000 0.000 0.228 214 N C -0.944 174.566 175.510 0.001 0.000 1.212 214 N CA -0.216 52.827 53.050 -0.013 0.000 0.883 214 N CB 0.784 39.248 38.487 -0.039 0.000 1.107 214 N HN -0.250 nan 8.380 nan 0.000 0.519 215 K N 0.566 120.950 120.400 -0.026 0.000 2.376 215 K HA 0.460 4.779 4.320 -0.000 0.000 0.257 215 K C -0.395 176.217 176.600 0.021 0.000 0.939 215 K CA -0.695 55.584 56.287 -0.013 0.000 0.809 215 K CB 2.300 34.765 32.500 -0.057 0.000 1.121 215 K HN 0.077 nan 8.250 nan 0.000 0.425 216 V N 1.939 121.879 119.914 0.043 0.000 2.715 216 V HA 0.220 4.340 4.120 -0.000 0.000 0.299 216 V C 1.136 177.259 176.094 0.049 0.000 1.054 216 V CA -0.039 62.297 62.300 0.061 0.000 1.077 216 V CB 1.622 33.482 31.823 0.063 0.000 0.972 216 V HN 0.893 nan 8.190 nan 0.000 0.484 220 P HA 0.237 nan 4.420 nan 0.000 0.267 220 P C -0.316 177.001 177.300 0.028 0.000 1.200 220 P CA 0.308 63.419 63.100 0.019 0.000 0.772 220 P CB 0.401 32.110 31.700 0.014 0.000 0.855 221 D N 0.537 120.951 120.400 0.023 0.000 2.323 221 D HA 0.232 4.871 4.640 -0.000 0.000 0.239 221 D C 0.787 177.098 176.300 0.018 0.000 1.129 221 D CA -0.055 53.962 54.000 0.028 0.000 0.865 221 D CB -0.739 40.083 40.800 0.036 0.000 0.913 221 D HN 0.589 nan 8.370 nan 0.000 0.517 222 G N 0.740 109.561 108.800 0.034 0.000 2.716 222 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.686 222 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.686 222 G C 0.690 175.607 174.900 0.028 0.000 1.337 222 G CA -0.310 44.830 45.100 0.066 0.000 0.829 222 G HN 0.098 nan 8.290 nan 0.000 0.599 223 N N 0.441 119.173 118.700 0.053 0.000 2.171 223 N HA -0.294 4.446 4.740 -0.000 0.000 0.200 223 N C 2.397 177.865 175.510 -0.071 0.000 0.991 223 N CA 2.682 55.736 53.050 0.006 0.000 0.906 223 N CB -0.586 37.931 38.487 0.050 0.000 1.060 223 N HN 1.345 nan 8.380 nan 0.000 0.510 224 G N 0.186 108.951 108.800 -0.059 0.000 2.498 224 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.219 224 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.219 224 G C 1.561 176.413 174.900 -0.080 0.000 1.119 224 G CA 0.902 45.949 45.100 -0.088 0.000 0.766 224 G HN 0.480 nan 8.290 nan 0.000 0.552 225 G N 0.875 109.634 108.800 -0.068 0.000 2.498 225 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.219 225 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.219 225 G C 1.627 176.497 174.900 -0.050 0.000 1.119 225 G CA 0.816 45.899 45.100 -0.029 0.000 0.766 225 G HN 0.416 nan 8.290 nan 0.000 0.552 226 L N 0.110 121.234 121.223 -0.164 0.000 2.082 226 L HA -0.263 4.077 4.340 -0.000 0.000 0.223 226 L C 2.517 179.318 176.870 -0.114 0.000 1.086 226 L CA 1.885 56.610 54.840 -0.192 0.000 0.793 226 L CB -0.827 40.969 42.059 -0.438 0.000 0.896 226 L HN 0.351 nan 8.230 nan 0.000 0.441 227 Y N -0.425 119.902 120.300 0.045 0.000 2.084 227 Y HA -0.177 4.373 4.550 -0.000 0.000 0.279 227 Y C 2.881 178.778 175.900 -0.005 0.000 1.119 227 Y CA 1.794 59.885 58.100 -0.015 0.000 1.101 227 Y CB -1.112 37.298 38.460 -0.083 0.000 0.989 227 Y HN 0.159 nan 8.280 nan 0.000 0.484 228 R N 0.570 121.159 120.500 0.148 0.000 2.134 228 R HA -0.286 4.054 4.340 -0.000 0.000 0.248 228 R C 2.275 178.636 176.300 0.103 0.000 1.143 228 R CA 1.762 57.918 56.100 0.092 0.000 0.957 228 R CB -0.614 29.733 30.300 0.077 0.000 0.867 228 R HN 0.411 nan 8.270 nan 0.000 0.441 229 A N 0.727 123.627 122.820 0.134 0.000 1.940 229 A HA -0.138 4.182 4.320 -0.000 0.000 0.219 229 A C 2.209 179.957 177.584 0.273 0.000 1.176 229 A CA 1.309 53.481 52.037 0.225 0.000 0.631 229 A CB -0.425 18.723 19.000 0.246 0.000 0.814 229 A HN 0.361 nan 8.150 nan 0.000 0.446 230 L N -1.032 120.291 121.223 0.166 0.000 2.093 230 L HA -0.135 4.204 4.340 -0.000 0.000 0.208 230 L C 3.045 179.869 176.870 -0.077 0.000 1.085 230 L CA 0.951 55.747 54.840 -0.074 0.000 0.755 230 L CB -0.475 41.535 42.059 -0.080 0.000 0.904 230 L HN 0.420 nan 8.230 nan 0.000 0.435 231 A N 0.075 122.889 122.820 -0.010 0.000 1.872 231 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 231 A C 2.577 180.156 177.584 -0.009 0.000 1.187 231 A CA 1.457 53.481 52.037 -0.022 0.000 0.614 231 A CB -0.779 18.216 19.000 -0.010 0.000 0.826 231 A HN 0.348 nan 8.150 nan 0.000 0.442 232 A N 0.152 122.988 122.820 0.026 0.000 1.903 232 A HA -0.227 4.093 4.320 -0.000 0.000 0.219 232 A C 1.877 179.477 177.584 0.027 0.000 1.191 232 A CA 1.854 53.913 52.037 0.037 0.000 0.638 232 A CB -0.498 18.543 19.000 0.069 0.000 0.823 232 A HN 0.713 nan 8.150 nan 0.000 0.451 233 Q N -1.165 118.648 119.800 0.020 0.000 2.206 233 Q HA 0.176 4.515 4.340 -0.000 0.000 0.265 233 Q C -0.676 175.291 176.000 -0.056 0.000 0.866 233 Q CA -0.119 55.688 55.803 0.007 0.000 1.073 233 Q CB -0.277 28.500 28.738 0.064 0.000 1.165 233 Q HN 0.647 nan 8.270 nan 0.000 0.465 234 N N 1.192 119.853 118.700 -0.065 0.000 2.708 234 N HA -0.176 4.563 4.740 -0.000 0.000 0.249 234 N C 0.529 175.969 175.510 -0.116 0.000 1.097 234 N CA 0.721 53.727 53.050 -0.074 0.000 0.710 234 N CB -1.027 37.436 38.487 -0.039 0.000 1.032 234 N HN 0.366 nan 8.380 nan 0.000 0.551 235 I N -0.120 120.325 120.570 -0.209 0.000 2.493 235 I HA -0.127 4.043 4.170 -0.000 0.000 0.254 235 I C 2.416 178.361 176.117 -0.286 0.000 1.160 235 I CA 0.735 61.847 61.300 -0.314 0.000 1.445 235 I CB -0.738 36.892 38.000 -0.618 0.000 1.086 235 I HN 0.054 nan 8.210 nan 0.000 0.433 236 V N 0.968 120.755 119.914 -0.213 0.000 2.343 236 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 236 V C 2.484 178.513 176.094 -0.109 0.000 1.051 236 V CA 1.613 63.814 62.300 -0.165 0.000 1.036 236 V CB -0.641 31.105 31.823 -0.128 0.000 0.654 236 V HN 0.283 nan 8.190 nan 0.000 0.451 237 E N 0.267 120.419 120.200 -0.080 0.000 2.077 237 E HA -0.103 4.247 4.350 -0.000 0.000 0.193 237 E C 1.118 177.707 176.600 -0.018 0.000 0.989 237 E CA 0.898 57.273 56.400 -0.042 0.000 0.800 237 E CB -0.403 29.278 29.700 -0.032 0.000 0.746 237 E HN 0.778 nan 8.360 nan 0.000 0.452 241 Q N 1.458 121.270 119.800 0.020 0.000 2.398 241 Q HA 0.149 4.489 4.340 -0.000 0.000 0.204 241 Q C 1.744 177.765 176.000 0.036 0.000 0.932 241 Q CA 0.461 56.278 55.803 0.024 0.000 0.916 241 Q CB 0.115 28.864 28.738 0.019 0.000 1.024 241 Q HN 0.017 nan 8.270 nan 0.000 0.504 242 R N 0.557 121.090 120.500 0.055 0.000 2.189 242 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 242 R C 0.623 176.956 176.300 0.053 0.000 1.074 242 R CA 0.782 56.921 56.100 0.064 0.000 0.991 242 R CB -0.023 30.339 30.300 0.105 0.000 0.883 242 R HN 0.555 nan 8.270 nan 0.000 0.457 243 G N 1.344 110.172 108.800 0.046 0.000 2.248 243 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.252 243 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.252 243 G C -0.059 174.867 174.900 0.044 0.000 1.085 243 G CA -0.308 44.814 45.100 0.037 0.000 0.845 243 G HN 0.193 nan 8.290 nan 0.000 0.494 244 I N -0.476 120.126 120.570 0.052 0.000 2.385 244 I HA 0.287 4.457 4.170 -0.000 0.000 0.294 244 I C 1.478 177.619 176.117 0.040 0.000 0.988 244 I CA -1.074 60.262 61.300 0.059 0.000 1.265 244 I CB 1.380 39.435 38.000 0.091 0.000 1.388 244 I HN 0.151 nan 8.210 nan 0.000 0.480 245 C N 2.207 121.531 119.300 0.039 0.000 2.487 245 C HA 0.136 4.596 4.460 -0.000 0.000 0.311 245 C C 1.169 176.162 174.990 0.006 0.000 1.367 245 C CA 0.128 59.166 59.018 0.033 0.000 1.865 245 C CB -0.029 27.740 27.740 0.048 0.000 2.277 245 C HN 0.758 nan 8.230 nan 0.000 0.521 246 S N 1.213 116.913 115.700 0.001 0.000 2.501 246 S HA 0.686 5.156 4.470 -0.000 0.000 0.301 246 S C -0.814 173.742 174.600 -0.073 0.000 1.096 246 S CA -0.139 57.993 58.200 -0.113 0.000 1.063 246 S CB 1.137 64.363 63.200 0.044 0.000 1.042 246 S HN 0.167 nan 8.310 nan 0.000 0.494 247 I N 2.693 123.159 120.570 -0.173 0.000 2.418 247 I HA 0.240 4.410 4.170 -0.000 0.000 0.287 247 I C 0.117 176.255 176.117 0.035 0.000 1.008 247 I CA -0.358 60.953 61.300 0.017 0.000 1.104 247 I CB 1.239 39.313 38.000 0.123 0.000 1.264 247 I HN 0.793 nan 8.210 nan 0.000 0.438 248 H N 5.956 125.070 119.070 0.075 0.000 2.705 248 H HA 0.463 5.019 4.556 -0.000 0.000 0.291 248 H C -1.182 174.297 175.328 0.252 0.000 1.085 248 H CA -0.360 55.781 56.048 0.154 0.000 1.357 248 H CB 1.701 31.571 29.762 0.180 0.000 1.419 248 H HN 0.438 nan 8.280 nan 0.000 0.462 249 V N 8.047 128.102 119.914 0.235 0.000 2.435 249 V HA 0.408 4.527 4.120 -0.000 0.000 0.290 249 V C -1.565 174.632 176.094 0.172 0.000 1.030 249 V CA -0.298 62.113 62.300 0.186 0.000 0.881 249 V CB 0.863 32.804 31.823 0.197 0.000 0.983 249 V HN 0.768 nan 8.190 nan 0.000 0.445 250 Y N 4.253 124.514 120.300 -0.066 0.000 2.609 250 Y HA 0.768 5.317 4.550 -0.000 0.000 0.336 250 Y C -0.711 175.210 175.900 0.035 0.000 1.129 250 Y CA -1.506 56.552 58.100 -0.069 0.000 1.040 250 Y CB 0.637 38.981 38.460 -0.192 0.000 1.310 250 Y HN 0.568 nan 8.280 nan 0.000 0.460 251 C N 2.016 121.317 119.300 0.001 0.000 2.364 251 C HA 0.403 4.862 4.460 -0.000 0.000 0.356 251 C C 1.743 176.712 174.990 -0.034 0.000 1.201 251 C CA -0.391 58.590 59.018 -0.063 0.000 2.227 251 C CB 1.593 29.356 27.740 0.039 0.000 2.387 251 C HN 0.925 nan 8.230 nan 0.000 0.546 252 V N 2.058 121.927 119.914 -0.075 0.000 2.970 252 V HA -0.095 4.024 4.120 -0.000 0.000 0.260 252 V C 1.810 177.921 176.094 0.028 0.000 1.100 252 V CA 2.467 64.754 62.300 -0.021 0.000 1.122 252 V CB -0.527 31.232 31.823 -0.106 0.000 0.721 252 V HN 1.048 nan 8.190 nan 0.000 0.483 253 D N -0.441 119.973 120.400 0.024 0.000 2.349 253 D HA -0.054 4.586 4.640 -0.000 0.000 0.224 253 D C 0.778 177.090 176.300 0.020 0.000 1.029 253 D CA 0.102 54.100 54.000 -0.004 0.000 0.879 253 D CB -0.635 40.148 40.800 -0.027 0.000 0.906 253 D HN 0.480 nan 8.370 nan 0.000 0.528 254 N N 0.913 119.671 118.700 0.096 0.000 2.437 254 N HA 0.078 4.818 4.740 -0.000 0.000 0.243 254 N C 0.649 176.200 175.510 0.068 0.000 1.041 254 N CA -0.443 52.664 53.050 0.096 0.000 0.940 254 N CB 0.504 39.127 38.487 0.225 0.000 1.133 254 N HN 0.126 nan 8.380 nan 0.000 0.506 255 I N 3.428 123.996 120.570 -0.004 0.000 2.567 255 I HA -0.139 4.031 4.170 -0.000 0.000 0.257 255 I C 0.899 177.003 176.117 -0.022 0.000 1.184 255 I CA 0.966 62.256 61.300 -0.017 0.000 1.451 255 I CB 0.303 38.265 38.000 -0.063 0.000 1.089 255 I HN 0.589 nan 8.210 nan 0.000 0.441 256 L N 0.184 121.396 121.223 -0.018 0.000 2.592 256 L HA 0.137 4.477 4.340 -0.000 0.000 0.227 256 L C 0.930 177.810 176.870 0.017 0.000 1.127 256 L CA -0.359 54.470 54.840 -0.018 0.000 0.884 256 L CB 0.027 42.078 42.059 -0.014 0.000 1.065 256 L HN 0.004 nan 8.230 nan 0.000 0.457 257 V N 1.847 121.787 119.914 0.043 0.000 2.694 257 V HA -0.099 4.021 4.120 -0.000 0.000 0.306 257 V C 0.672 176.733 176.094 -0.055 0.000 1.054 257 V CA 0.312 62.632 62.300 0.033 0.000 1.161 257 V CB 0.535 32.392 31.823 0.057 0.000 0.916 257 V HN 0.268 nan 8.190 nan 0.000 0.490 258 K N 6.114 126.510 120.400 -0.008 0.000 2.229 258 K HA 0.314 4.634 4.320 -0.000 0.000 0.247 258 K C -0.597 176.075 176.600 0.120 0.000 1.117 258 K CA -0.425 55.861 56.287 -0.001 0.000 1.036 258 K CB 0.944 33.515 32.500 0.118 0.000 1.654 258 K HN 0.638 nan 8.250 nan 0.000 0.405 259 V N 2.088 121.988 119.914 -0.024 0.000 2.599 259 V HA -0.078 4.042 4.120 -0.000 0.000 0.300 259 V C 1.148 177.379 176.094 0.228 0.000 1.034 259 V CA 0.683 62.935 62.300 -0.079 0.000 1.115 259 V CB 0.535 32.209 31.823 -0.248 0.000 0.934 259 V HN 0.950 nan 8.190 nan 0.000 0.485 260 A N 4.002 127.104 122.820 0.469 0.000 2.774 260 A HA -0.223 4.097 4.320 -0.000 0.000 0.290 260 A C 0.732 178.381 177.584 0.109 0.000 1.484 260 A CA 0.939 53.160 52.037 0.306 0.000 0.863 260 A CB -1.887 17.206 19.000 0.156 0.000 0.989 260 A HN 1.132 nan 8.150 nan 0.000 0.554 261 D N -0.767 119.692 120.400 0.098 0.000 2.982 261 D HA 0.058 4.697 4.640 -0.000 0.000 0.222 261 D C -0.661 175.624 176.300 -0.026 0.000 1.124 261 D CA -0.059 53.993 54.000 0.087 0.000 0.810 261 D CB 0.563 41.404 40.800 0.069 0.000 1.152 261 D HN 0.329 nan 8.370 nan 0.000 0.538 262 P HA -0.003 nan 4.420 nan 0.000 0.224 262 P C 1.281 178.550 177.300 -0.052 0.000 1.157 262 P CA 0.692 63.742 63.100 -0.084 0.000 0.799 262 P CB 0.278 31.900 31.700 -0.129 0.000 0.809 263 R N -1.228 119.267 120.500 -0.009 0.000 2.080 263 R HA -0.139 4.200 4.340 -0.000 0.000 0.236 263 R C 2.198 178.382 176.300 -0.195 0.000 1.137 263 R CA 1.461 57.582 56.100 0.035 0.000 0.943 263 R CB -1.168 29.216 30.300 0.141 0.000 0.846 263 R HN 0.157 nan 8.270 nan 0.000 0.431 264 F N 1.552 121.195 119.950 -0.511 0.000 2.102 264 F HA -0.113 4.414 4.527 -0.000 0.000 0.298 264 F C 1.948 177.429 175.800 -0.531 0.000 1.105 264 F CA 1.186 58.696 58.000 -0.817 0.000 1.239 264 F CB -0.406 38.240 39.000 -0.590 0.000 0.991 264 F HN -0.098 nan 8.300 nan 0.000 0.474 265 I N 0.235 120.527 120.570 -0.463 0.000 2.208 265 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 265 I C 2.735 178.584 176.117 -0.447 0.000 1.097 265 I CA 1.508 62.537 61.300 -0.452 0.000 1.363 265 I CB -1.297 36.633 38.000 -0.117 0.000 1.051 265 I HN 0.307 nan 8.210 nan 0.000 0.413 266 G N 0.510 109.152 108.800 -0.263 0.000 2.421 266 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.216 266 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.216 266 G C 1.588 176.323 174.900 -0.276 0.000 1.171 266 G CA 0.501 45.527 45.100 -0.124 0.000 0.775 266 G HN 0.332 nan 8.290 nan 0.000 0.543 267 F N 1.456 120.910 119.950 -0.826 0.000 2.091 267 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 267 F C 2.690 177.951 175.800 -0.898 0.000 1.103 267 F CA 1.514 58.692 58.000 -1.371 0.000 1.228 267 F CB -0.638 37.465 39.000 -1.495 0.000 0.984 267 F HN 0.212 nan 8.300 nan 0.000 0.477 268 C N 0.540 119.243 119.300 -0.994 0.000 2.446 268 C HA -0.141 4.318 4.460 -0.000 0.000 0.277 268 C C 2.866 177.315 174.990 -0.901 0.000 1.275 268 C CA 0.625 58.905 59.018 -1.231 0.000 1.727 268 C CB -1.217 25.269 27.740 -2.091 0.000 2.010 268 C HN 0.494 nan 8.230 nan 0.000 0.486 269 I N 0.792 120.952 120.570 -0.682 0.000 2.226 269 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 269 I C 2.684 178.657 176.117 -0.241 0.000 1.100 269 I CA 1.591 62.697 61.300 -0.323 0.000 1.374 269 I CB -1.476 36.429 38.000 -0.159 0.000 1.057 269 I HN 0.541 nan 8.210 nan 0.000 0.413 270 Q N 1.001 120.660 119.800 -0.234 0.000 2.050 270 Q HA -0.195 4.145 4.340 -0.000 0.000 0.202 270 Q C 1.828 177.720 176.000 -0.179 0.000 0.980 270 Q CA 1.313 57.057 55.803 -0.099 0.000 0.840 270 Q CB 0.147 28.960 28.738 0.125 0.000 0.898 270 Q HN 0.335 nan 8.270 nan 0.000 0.424 271 K N -0.582 119.581 120.400 -0.394 0.000 2.555 271 K HA 0.006 4.326 4.320 -0.000 0.000 0.193 271 K C 0.927 177.343 176.600 -0.307 0.000 1.032 271 K CA 0.824 56.871 56.287 -0.401 0.000 1.004 271 K CB -0.058 32.012 32.500 -0.716 0.000 0.804 271 K HN 0.457 nan 8.250 nan 0.000 0.496 272 G N 1.578 110.213 108.800 -0.275 0.000 2.221 272 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.265 272 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.265 272 G C 0.272 175.068 174.900 -0.173 0.000 1.041 272 G CA 0.376 45.373 45.100 -0.171 0.000 0.807 272 G HN 0.530 nan 8.290 nan 0.000 0.502 273 A N -0.237 122.418 122.820 -0.275 0.000 2.351 273 A HA 0.596 4.916 4.320 -0.000 0.000 0.257 273 A C 1.243 178.808 177.584 -0.031 0.000 1.087 273 A CA 0.621 52.520 52.037 -0.230 0.000 0.798 273 A CB 0.443 19.201 19.000 -0.404 0.000 1.033 273 A HN 0.672 nan 8.150 nan 0.000 0.488 274 D N -1.021 119.356 120.400 -0.039 0.000 2.379 274 D HA 0.169 4.809 4.640 -0.000 0.000 0.208 274 D C 0.045 176.388 176.300 0.072 0.000 1.065 274 D CA 0.033 54.039 54.000 0.010 0.000 0.848 274 D CB -0.138 40.529 40.800 -0.222 0.000 0.949 274 D HN 0.349 nan 8.370 nan 0.000 0.509 275 C N -0.166 119.187 119.300 0.087 0.000 2.985 275 C HA 0.820 5.280 4.460 -0.000 0.000 0.332 275 C C -0.765 174.220 174.990 -0.009 0.000 1.164 275 C CA -0.091 59.084 59.018 0.261 0.000 1.347 275 C CB 1.140 29.016 27.740 0.227 0.000 1.764 275 C HN 0.418 nan 8.230 nan 0.000 0.489 276 G N 2.364 111.205 108.800 0.069 0.000 2.746 276 G HA2 0.824 4.784 3.960 -0.000 0.000 0.297 276 G HA3 0.824 4.784 3.960 -0.000 0.000 0.297 276 G C -1.457 173.564 174.900 0.203 0.000 1.426 276 G CA 0.200 45.231 45.100 -0.115 0.000 0.989 276 G HN 1.467 nan 8.290 nan 0.000 0.520 277 A N 1.697 124.540 122.820 0.039 0.000 2.330 277 A HA 0.782 5.102 4.320 -0.000 0.000 0.313 277 A C 0.031 177.653 177.584 0.063 0.000 1.124 277 A CA -0.715 51.495 52.037 0.288 0.000 0.774 277 A CB 1.381 20.561 19.000 0.299 0.000 1.198 277 A HN 0.703 nan 8.150 nan 0.000 0.465 278 K N 1.301 121.555 120.400 -0.244 0.000 2.237 278 K HA 0.527 4.846 4.320 -0.000 0.000 0.270 278 K C -0.288 176.204 176.600 -0.180 0.000 1.015 278 K CA -0.050 55.973 56.287 -0.441 0.000 0.949 278 K CB 0.648 32.726 32.500 -0.703 0.000 0.976 278 K HN 0.877 nan 8.250 nan 0.000 0.472 279 V N 0.424 120.230 119.914 -0.179 0.000 3.188 279 V HA 0.710 4.830 4.120 -0.000 0.000 0.305 279 V C -0.853 175.142 176.094 -0.165 0.000 1.232 279 V CA -1.021 61.193 62.300 -0.142 0.000 1.043 279 V CB 1.448 33.232 31.823 -0.064 0.000 1.068 279 V HN 0.579 nan 8.190 nan 0.000 0.439 280 V N -1.532 118.295 119.914 -0.145 0.000 2.914 280 V HA 0.670 4.790 4.120 -0.000 0.000 0.314 280 V C -0.170 175.897 176.094 -0.044 0.000 1.084 280 V CA -0.608 61.639 62.300 -0.088 0.000 0.963 280 V CB 1.809 33.615 31.823 -0.028 0.000 1.025 280 V HN 1.166 nan 8.190 nan 0.000 0.432 281 E N 2.551 122.734 120.200 -0.027 0.000 2.328 281 E HA 0.119 4.468 4.350 -0.000 0.000 0.265 281 E C -0.204 176.403 176.600 0.011 0.000 1.057 281 E CA -0.164 56.229 56.400 -0.012 0.000 0.916 281 E CB 0.573 30.262 29.700 -0.017 0.000 0.993 281 E HN 0.687 nan 8.360 nan 0.000 0.446 282 K N 3.123 123.535 120.400 0.019 0.000 2.339 282 K HA 0.041 4.361 4.320 -0.000 0.000 0.286 282 K C 0.653 177.268 176.600 0.025 0.000 1.050 282 K CA 0.346 56.651 56.287 0.031 0.000 0.956 282 K CB 0.655 33.181 32.500 0.043 0.000 0.990 282 K HN 0.594 nan 8.250 nan 0.000 0.475 283 T N -0.159 114.407 114.554 0.021 0.000 2.964 283 T HA 0.063 4.412 4.350 -0.000 0.000 0.250 283 T C 0.457 175.165 174.700 0.014 0.000 0.982 283 T CA -0.290 61.819 62.100 0.014 0.000 0.959 283 T CB 0.065 68.937 68.868 0.008 0.000 1.141 283 T HN 0.432 nan 8.240 nan 0.000 0.494 284 N N 2.467 121.175 118.700 0.012 0.000 2.426 284 N HA 0.306 5.046 4.740 -0.000 0.000 0.257 284 N C -2.159 173.360 175.510 0.016 0.000 1.002 284 N CA -1.950 51.105 53.050 0.009 0.000 0.942 284 N CB 2.136 40.622 38.487 -0.002 0.000 1.112 284 N HN -0.099 nan 8.380 nan 0.000 0.499 285 P HA -0.155 nan 4.420 nan 0.000 0.216 285 P C 0.996 178.313 177.300 0.029 0.000 1.154 285 P CA 1.868 64.989 63.100 0.035 0.000 0.865 285 P CB 0.076 31.795 31.700 0.033 0.000 0.789 286 T N -4.540 110.021 114.554 0.012 0.000 3.144 286 T HA 0.063 4.413 4.350 -0.000 0.000 0.249 286 T C 0.593 175.271 174.700 -0.037 0.000 1.089 286 T CA -0.343 61.758 62.100 0.001 0.000 0.989 286 T CB -0.711 68.156 68.868 -0.001 0.000 0.992 286 T HN 0.098 nan 8.240 nan 0.000 0.540 287 E N 3.690 123.867 120.200 -0.037 0.000 2.480 287 E HA 0.058 4.408 4.350 -0.000 0.000 0.258 287 E C -2.093 174.413 176.600 -0.158 0.000 0.984 287 E CA -1.791 54.563 56.400 -0.077 0.000 0.930 287 E CB 0.650 30.331 29.700 -0.032 0.000 0.936 287 E HN 0.237 nan 8.360 nan 0.000 0.466 288 P HA 0.089 nan 4.420 nan 0.000 0.244 288 P C -1.118 175.817 177.300 -0.609 0.000 1.769 288 P CA -0.027 62.526 63.100 -0.911 0.000 1.102 288 P CB 0.132 31.077 31.700 -1.258 0.000 1.937 289 V N 2.295 122.111 119.914 -0.164 0.000 2.612 289 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 289 V C 0.885 177.045 176.094 0.109 0.000 1.059 289 V CA -0.768 61.548 62.300 0.028 0.000 0.886 289 V CB 2.116 33.959 31.823 0.033 0.000 1.007 289 V HN 0.470 nan 8.190 nan 0.000 0.426 290 G N 2.965 111.848 108.800 0.139 0.000 2.554 290 G HA2 0.462 4.422 3.960 -0.000 0.000 0.238 290 G HA3 0.462 4.422 3.960 -0.000 0.000 0.238 290 G C -0.164 174.731 174.900 -0.009 0.000 1.259 290 G CA 0.153 45.274 45.100 0.035 0.000 0.843 290 G HN 1.154 nan 8.290 nan 0.000 0.582 291 V N -0.336 119.557 119.914 -0.034 0.000 2.667 291 V HA 0.716 4.836 4.120 -0.000 0.000 0.308 291 V C 0.121 176.221 176.094 0.010 0.000 1.048 291 V CA -1.137 61.173 62.300 0.017 0.000 0.928 291 V CB 1.574 33.442 31.823 0.074 0.000 1.004 291 V HN 0.547 nan 8.190 nan 0.000 0.444 292 V N 3.507 123.481 119.914 0.101 0.000 2.607 292 V HA 0.740 4.860 4.120 -0.000 0.000 0.289 292 V C 0.540 176.773 176.094 0.233 0.000 1.053 292 V CA 0.503 62.913 62.300 0.183 0.000 0.996 292 V CB 0.508 32.503 31.823 0.286 0.000 0.995 292 V HN 1.586 nan 8.190 nan 0.000 0.476 293 C N 3.534 122.989 119.300 0.259 0.000 3.180 293 C HA 0.587 5.047 4.460 -0.000 0.000 0.334 293 C C -1.191 173.929 174.990 0.217 0.000 1.399 293 C CA -1.237 57.953 59.018 0.286 0.000 1.185 293 C CB 1.547 29.448 27.740 0.269 0.000 1.498 293 C HN 0.814 nan 8.230 nan 0.000 0.426 294 R N 0.368 120.932 120.500 0.107 0.000 2.514 294 R HA 0.776 5.116 4.340 -0.000 0.000 0.301 294 R C -1.466 174.818 176.300 -0.027 0.000 0.962 294 R CA -0.540 55.526 56.100 -0.058 0.000 0.882 294 R CB 2.032 32.211 30.300 -0.203 0.000 1.143 294 R HN 0.616 nan 8.270 nan 0.000 0.452 295 V N 3.406 123.285 119.914 -0.058 0.000 2.407 295 V HA 0.112 4.232 4.120 -0.000 0.000 0.291 295 V C -0.384 175.672 176.094 -0.064 0.000 1.018 295 V CA -0.750 61.521 62.300 -0.050 0.000 0.842 295 V CB 1.513 33.309 31.823 -0.045 0.000 0.996 295 V HN 0.909 nan 8.190 nan 0.000 0.426 296 D N 3.789 124.158 120.400 -0.052 0.000 2.689 296 D HA -0.217 4.423 4.640 -0.000 0.000 0.237 296 D C 1.257 177.506 176.300 -0.085 0.000 1.148 296 D CA 1.132 55.098 54.000 -0.056 0.000 0.656 296 D CB -1.190 39.578 40.800 -0.053 0.000 1.050 296 D HN 1.436 nan 8.370 nan 0.000 0.426 297 G N -1.691 107.047 108.800 -0.103 0.000 2.186 297 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.266 297 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.266 297 G C 0.380 175.135 174.900 -0.242 0.000 0.982 297 G CA 0.486 45.489 45.100 -0.161 0.000 0.670 297 G HN 0.626 nan 8.290 nan 0.000 0.533 298 V N 0.816 120.606 119.914 -0.207 0.000 2.427 298 V HA 0.500 4.620 4.120 -0.000 0.000 0.286 298 V C 0.335 176.306 176.094 -0.204 0.000 1.034 298 V CA -1.222 60.949 62.300 -0.215 0.000 0.893 298 V CB 1.087 32.816 31.823 -0.156 0.000 0.982 298 V HN 0.214 nan 8.190 nan 0.000 0.452 299 Y N 5.486 125.718 120.300 -0.115 0.000 2.526 299 Y HA 0.386 4.936 4.550 -0.000 0.000 0.330 299 Y C 0.792 176.627 175.900 -0.108 0.000 1.156 299 Y CA 0.167 58.167 58.100 -0.166 0.000 1.419 299 Y CB 0.379 38.549 38.460 -0.483 0.000 1.250 299 Y HN 0.748 nan 8.280 nan 0.000 0.540 300 Q N -0.442 119.443 119.800 0.142 0.000 2.819 300 Q HA 0.684 5.024 4.340 -0.000 0.000 0.335 300 Q C -2.203 173.771 176.000 -0.042 0.000 0.779 300 Q CA -1.140 54.697 55.803 0.057 0.000 0.848 300 Q CB 1.565 30.317 28.738 0.023 0.000 1.332 300 Q HN 0.279 nan 8.270 nan 0.000 0.505 301 V N 1.287 120.966 119.914 -0.391 0.000 2.448 301 V HA 0.403 4.523 4.120 -0.000 0.000 0.295 301 V C -0.642 175.146 176.094 -0.511 0.000 1.025 301 V CA -0.668 61.245 62.300 -0.644 0.000 0.859 301 V CB 1.709 32.635 31.823 -1.496 0.000 0.988 301 V HN 0.526 nan 8.190 nan 0.000 0.431 302 V N 4.119 123.860 119.914 -0.289 0.000 2.383 302 V HA 0.255 4.375 4.120 -0.000 0.000 0.275 302 V C 0.511 176.479 176.094 -0.211 0.000 1.036 302 V CA -0.393 61.780 62.300 -0.211 0.000 0.889 302 V CB 1.611 33.322 31.823 -0.186 0.000 0.985 302 V HN 0.935 nan 8.190 nan 0.000 0.459 303 E N 2.677 122.755 120.200 -0.202 0.000 2.392 303 E HA 0.079 4.428 4.350 -0.000 0.000 0.259 303 E C 0.618 177.129 176.600 -0.149 0.000 1.108 303 E CA 0.048 56.326 56.400 -0.203 0.000 0.916 303 E CB 0.740 30.273 29.700 -0.278 0.000 0.989 303 E HN 0.784 nan 8.360 nan 0.000 0.432 304 Y N -0.300 119.952 120.300 -0.080 0.000 2.439 304 Y HA -0.037 4.513 4.550 -0.000 0.000 0.292 304 Y C 1.996 177.870 175.900 -0.043 0.000 1.130 304 Y CA 0.954 59.022 58.100 -0.054 0.000 1.254 304 Y CB -0.485 37.956 38.460 -0.031 0.000 1.000 304 Y HN 0.411 nan 8.280 nan 0.000 0.554 305 S N -0.516 114.892 115.700 -0.486 0.000 2.603 305 S HA -0.004 4.466 4.470 -0.000 0.000 0.220 305 S C 1.157 175.670 174.600 -0.145 0.000 0.967 305 S CA 0.606 58.621 58.200 -0.308 0.000 0.920 305 S CB -0.308 62.624 63.200 -0.447 0.000 0.773 305 S HN 0.687 nan 8.310 nan 0.000 0.529 306 E N 0.682 120.807 120.200 -0.125 0.000 2.473 306 E HA 0.307 4.657 4.350 -0.000 0.000 0.204 306 E C 0.520 177.080 176.600 -0.067 0.000 0.994 306 E CA -0.126 56.224 56.400 -0.083 0.000 0.945 306 E CB 0.469 30.119 29.700 -0.083 0.000 0.990 306 E HN 0.794 nan 8.360 nan 0.000 0.493 307 I N -0.449 120.084 120.570 -0.063 0.000 2.499 307 I HA 0.335 4.504 4.170 -0.000 0.000 0.296 307 I C 0.595 176.696 176.117 -0.026 0.000 0.992 307 I CA -1.061 60.201 61.300 -0.064 0.000 1.297 307 I CB 1.343 39.291 38.000 -0.086 0.000 1.410 307 I HN -0.186 nan 8.210 nan 0.000 0.507 308 S N 4.721 120.407 115.700 -0.023 0.000 2.596 308 S HA 0.061 4.531 4.470 -0.000 0.000 0.260 308 S C 0.857 175.465 174.600 0.013 0.000 1.336 308 S CA -0.516 57.683 58.200 -0.001 0.000 0.993 308 S CB 1.150 64.351 63.200 0.002 0.000 0.923 308 S HN 0.794 nan 8.310 nan 0.000 0.567 309 L N 1.829 123.065 121.223 0.021 0.000 2.093 309 L HA 0.115 4.455 4.340 -0.000 0.000 0.208 309 L C 2.640 179.533 176.870 0.038 0.000 1.085 309 L CA 2.240 57.098 54.840 0.030 0.000 0.755 309 L CB -1.824 40.251 42.059 0.026 0.000 0.904 309 L HN 0.951 nan 8.230 nan 0.000 0.435 310 A N -1.481 121.360 122.820 0.035 0.000 1.883 310 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 310 A C 2.278 179.906 177.584 0.073 0.000 1.186 310 A CA 2.478 54.542 52.037 0.045 0.000 0.624 310 A CB -1.249 17.774 19.000 0.038 0.000 0.822 310 A HN 0.496 nan 8.150 nan 0.000 0.444 311 T N 0.282 114.878 114.554 0.070 0.000 2.708 311 T HA -0.050 4.299 4.350 -0.000 0.000 0.266 311 T C 2.232 177.032 174.700 0.167 0.000 1.037 311 T CA 1.759 63.929 62.100 0.115 0.000 1.146 311 T CB -0.557 68.303 68.868 -0.013 0.000 0.865 311 T HN 0.640 nan 8.240 nan 0.000 0.435 312 A N 1.229 124.106 122.820 0.095 0.000 1.986 312 A HA -0.183 4.137 4.320 -0.000 0.000 0.220 312 A C 2.112 179.757 177.584 0.102 0.000 1.171 312 A CA 1.539 53.636 52.037 0.101 0.000 0.640 312 A CB -0.514 18.524 19.000 0.064 0.000 0.811 312 A HN 0.604 nan 8.150 nan 0.000 0.451 313 Q N -0.863 118.987 119.800 0.084 0.000 2.319 313 Q HA 0.109 4.449 4.340 -0.000 0.000 0.202 313 Q C 0.157 176.194 176.000 0.061 0.000 0.896 313 Q CA -0.374 55.466 55.803 0.061 0.000 0.942 313 Q CB 0.339 29.103 28.738 0.043 0.000 1.083 313 Q HN 0.513 nan 8.270 nan 0.000 0.510 314 R N 1.370 121.925 120.500 0.092 0.000 2.756 314 R HA 0.192 4.532 4.340 -0.000 0.000 0.264 314 R C -0.051 176.259 176.300 0.018 0.000 1.026 314 R CA 0.632 56.770 56.100 0.064 0.000 1.121 314 R CB 0.472 30.834 30.300 0.104 0.000 0.999 314 R HN 0.055 nan 8.270 nan 0.000 0.449 315 R N 0.280 120.771 120.500 -0.015 0.000 2.564 315 R HA 0.179 4.519 4.340 -0.000 0.000 0.284 315 R C -0.487 175.781 176.300 -0.053 0.000 1.031 315 R CA -0.478 55.603 56.100 -0.031 0.000 0.904 315 R CB 2.245 32.537 30.300 -0.013 0.000 1.199 315 R HN 0.781 nan 8.270 nan 0.000 0.443 316 S N 0.440 116.098 115.700 -0.069 0.000 2.624 316 S HA 0.054 4.524 4.470 -0.000 0.000 0.263 316 S C 1.277 175.853 174.600 -0.039 0.000 1.287 316 S CA -0.484 57.676 58.200 -0.066 0.000 0.990 316 S CB 1.349 64.502 63.200 -0.078 0.000 0.950 316 S HN 0.667 nan 8.310 nan 0.000 0.561 317 S N 1.170 116.850 115.700 -0.033 0.000 2.392 317 S HA -0.244 4.226 4.470 -0.000 0.000 0.232 317 S C 1.315 175.904 174.600 -0.018 0.000 1.041 317 S CA 1.521 59.708 58.200 -0.022 0.000 1.026 317 S CB -1.056 62.133 63.200 -0.018 0.000 0.845 317 S HN 0.959 nan 8.310 nan 0.000 0.465 318 D N 1.143 121.530 120.400 -0.021 0.000 2.392 318 D HA 0.150 4.789 4.640 -0.000 0.000 0.228 318 D C 1.440 177.730 176.300 -0.016 0.000 1.003 318 D CA 0.865 54.855 54.000 -0.017 0.000 0.917 318 D CB -0.937 39.852 40.800 -0.018 0.000 0.890 318 D HN 0.600 nan 8.370 nan 0.000 0.532 319 G N -0.123 108.666 108.800 -0.017 0.000 2.217 319 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.246 319 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.246 319 G C 0.450 175.342 174.900 -0.014 0.000 0.990 319 G CA 0.050 45.142 45.100 -0.013 0.000 0.627 319 G HN 0.495 nan 8.290 nan 0.000 0.522 320 R N -0.056 120.432 120.500 -0.019 0.000 2.637 320 R HA 0.589 4.929 4.340 -0.000 0.000 0.269 320 R C 0.934 177.220 176.300 -0.024 0.000 1.089 320 R CA -0.589 55.500 56.100 -0.019 0.000 1.177 320 R CB 0.466 30.752 30.300 -0.023 0.000 1.091 320 R HN 0.257 nan 8.270 nan 0.000 0.540 321 L N 2.168 123.383 121.223 -0.013 0.000 2.456 321 L HA -0.063 4.277 4.340 -0.000 0.000 0.272 321 L C 1.627 178.461 176.870 -0.061 0.000 1.189 321 L CA -0.141 54.694 54.840 -0.008 0.000 0.846 321 L CB 0.193 42.272 42.059 0.033 0.000 1.111 321 L HN 0.572 nan 8.230 nan 0.000 0.475 322 L N 3.106 124.250 121.223 -0.132 0.000 2.056 322 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 322 L C 0.618 177.207 176.870 -0.469 0.000 1.078 322 L CA 1.643 56.269 54.840 -0.357 0.000 0.749 322 L CB -0.116 41.620 42.059 -0.540 0.000 0.901 322 L HN 0.329 nan 8.230 nan 0.000 0.433 323 F N 1.362 121.323 119.950 0.019 0.000 2.359 323 F HA 0.303 4.830 4.527 -0.000 0.000 0.355 323 F C 0.867 176.679 175.800 0.019 0.000 1.132 323 F CA -0.647 57.367 58.000 0.023 0.000 1.246 323 F CB -0.370 38.643 39.000 0.021 0.000 1.569 323 F HN 0.227 nan 8.300 nan 0.000 0.561 324 N N 0.738 119.507 118.700 0.116 0.000 2.177 324 N HA 0.150 4.889 4.740 -0.000 0.000 0.218 324 N C 0.209 175.753 175.510 0.056 0.000 1.182 324 N CA -0.110 52.981 53.050 0.069 0.000 0.882 324 N CB 0.341 38.843 38.487 0.024 0.000 1.052 324 N HN 0.248 nan 8.380 nan 0.000 0.519 325 A N 0.832 123.702 122.820 0.083 0.000 2.915 325 A HA 0.590 4.910 4.320 -0.000 0.000 0.292 325 A C 0.777 178.390 177.584 0.048 0.000 1.632 325 A CA -0.357 51.718 52.037 0.063 0.000 1.337 325 A CB -1.107 17.956 19.000 0.105 0.000 1.111 325 A HN 0.312 nan 8.150 nan 0.000 0.569 326 G N 1.568 110.372 108.800 0.007 0.000 2.358 326 G HA2 0.326 4.286 3.960 -0.000 0.000 0.273 326 G HA3 0.326 4.286 3.960 -0.000 0.000 0.273 326 G C 0.041 174.891 174.900 -0.083 0.000 1.215 326 G CA -0.413 44.673 45.100 -0.023 0.000 0.910 326 G HN 0.749 nan 8.290 nan 0.000 0.467 327 N N 1.732 120.397 118.700 -0.058 0.000 2.422 327 N HA 0.227 4.967 4.740 -0.000 0.000 0.264 327 N C 0.810 176.222 175.510 -0.163 0.000 1.063 327 N CA -0.733 52.297 53.050 -0.033 0.000 0.959 327 N CB 0.834 39.358 38.487 0.062 0.000 1.087 327 N HN 0.486 nan 8.380 nan 0.000 0.483 328 I N 1.177 121.595 120.570 -0.252 0.000 3.856 328 I HA 0.511 4.680 4.170 -0.000 0.000 0.333 328 I C 0.424 176.446 176.117 -0.158 0.000 1.525 328 I CA -0.721 60.315 61.300 -0.439 0.000 1.173 328 I CB -0.209 37.319 38.000 -0.785 0.000 1.175 328 I HN 0.568 nan 8.210 nan 0.000 0.424 329 A N 1.633 124.438 122.820 -0.024 0.000 2.519 329 A HA -0.263 4.057 4.320 -0.000 0.000 0.297 329 A C -0.344 177.052 177.584 -0.313 0.000 1.472 329 A CA 0.844 52.859 52.037 -0.037 0.000 0.739 329 A CB -2.382 16.679 19.000 0.102 0.000 1.096 329 A HN 0.822 nan 8.150 nan 0.000 0.414 330 N N 0.326 118.639 118.700 -0.645 0.000 2.549 330 N HA 0.420 5.160 4.740 -0.000 0.000 0.290 330 N C -1.312 174.072 175.510 -0.210 0.000 1.122 330 N CA -0.431 52.460 53.050 -0.266 0.000 0.885 330 N CB 1.141 39.582 38.487 -0.077 0.000 1.455 330 N HN 0.591 nan 8.380 nan 0.000 0.521 331 H N 1.052 120.384 119.070 0.437 0.000 2.949 331 H HA 0.408 4.964 4.556 -0.000 0.000 0.356 331 H C -1.289 174.212 175.328 0.289 0.000 1.212 331 H CA -0.477 55.789 56.048 0.362 0.000 1.136 331 H CB 2.029 31.868 29.762 0.128 0.000 1.869 331 H HN 0.402 nan 8.280 nan 0.000 0.556 332 F N 1.784 121.757 119.950 0.038 0.000 2.507 332 F HA 0.560 5.087 4.527 -0.000 0.000 0.325 332 F C -1.990 173.759 175.800 -0.085 0.000 1.116 332 F CA -0.861 57.024 58.000 -0.192 0.000 0.930 332 F CB 0.870 39.532 39.000 -0.563 0.000 1.146 332 F HN 0.216 nan 8.300 nan 0.000 0.447 333 F N 3.058 122.697 119.950 -0.519 0.000 2.529 333 F HA 0.403 4.930 4.527 -0.000 0.000 0.320 333 F C 0.348 175.815 175.800 -0.556 0.000 1.118 333 F CA -1.308 56.551 58.000 -0.234 0.000 0.915 333 F CB 1.748 40.815 39.000 0.112 0.000 1.161 333 F HN 0.340 nan 8.300 nan 0.000 0.445 334 T N 2.296 116.856 114.554 0.009 0.000 2.946 334 T HA 0.148 4.497 4.350 -0.000 0.000 0.311 334 T C 1.505 176.288 174.700 0.137 0.000 1.063 334 T CA -0.107 62.043 62.100 0.084 0.000 1.139 334 T CB 1.145 70.137 68.868 0.206 0.000 0.994 334 T HN 0.431 nan 8.240 nan 0.000 0.547 335 V N 6.019 125.970 119.914 0.061 0.000 2.244 335 V HA -0.102 4.018 4.120 -0.000 0.000 0.244 335 V C -0.566 175.546 176.094 0.031 0.000 1.042 335 V CA 1.458 63.776 62.300 0.030 0.000 1.006 335 V CB -1.422 30.404 31.823 0.005 0.000 0.641 335 V HN 0.727 nan 8.190 nan 0.000 0.446 336 P HA -0.259 nan 4.420 nan 0.000 0.219 336 P C 1.712 179.072 177.300 0.100 0.000 1.161 336 P CA 1.955 65.092 63.100 0.062 0.000 0.909 336 P CB -0.226 31.526 31.700 0.087 0.000 0.793 337 F N 0.318 120.274 119.950 0.009 0.000 2.051 337 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 337 F C 2.129 177.893 175.800 -0.060 0.000 1.122 337 F CA 1.247 59.261 58.000 0.023 0.000 1.201 337 F CB -1.387 37.657 39.000 0.073 0.000 0.978 337 F HN -0.237 nan 8.300 nan 0.000 0.472 338 L N 1.186 122.217 121.223 -0.320 0.000 2.043 338 L HA -0.227 4.113 4.340 -0.000 0.000 0.212 338 L C 2.474 179.150 176.870 -0.323 0.000 1.075 338 L CA 2.335 56.888 54.840 -0.479 0.000 0.752 338 L CB -1.151 40.783 42.059 -0.208 0.000 0.891 338 L HN 0.319 nan 8.230 nan 0.000 0.432 339 K N -0.783 119.503 120.400 -0.189 0.000 2.032 339 K HA -0.212 4.108 4.320 -0.000 0.000 0.209 339 K C 1.736 178.198 176.600 -0.230 0.000 1.048 339 K CA 1.958 58.146 56.287 -0.165 0.000 0.927 339 K CB -0.171 32.268 32.500 -0.102 0.000 0.712 339 K HN 0.413 nan 8.250 nan 0.000 0.441 340 D N 0.118 120.367 120.400 -0.252 0.000 2.117 340 D HA -0.130 4.509 4.640 -0.000 0.000 0.198 340 D C 2.000 177.978 176.300 -0.536 0.000 0.982 340 D CA 0.899 54.667 54.000 -0.387 0.000 0.828 340 D CB -0.279 40.347 40.800 -0.290 0.000 0.967 340 D HN 0.041 nan 8.370 nan 0.000 0.464 341 V N 0.779 120.397 119.914 -0.493 0.000 2.287 341 V HA -0.221 3.898 4.120 -0.000 0.000 0.248 341 V C 2.565 178.368 176.094 -0.484 0.000 1.053 341 V CA 1.146 63.115 62.300 -0.552 0.000 1.027 341 V CB -0.320 30.946 31.823 -0.928 0.000 0.646 341 V HN 0.048 nan 8.190 nan 0.000 0.447 342 V N 0.420 120.117 119.914 -0.362 0.000 2.221 342 V HA -0.202 3.918 4.120 -0.000 0.000 0.242 342 V C 2.286 178.257 176.094 -0.205 0.000 1.041 342 V CA 2.236 64.412 62.300 -0.206 0.000 0.995 342 V CB -0.842 30.913 31.823 -0.115 0.000 0.635 342 V HN 0.548 nan 8.190 nan 0.000 0.448 343 N N -0.055 118.515 118.700 -0.215 0.000 2.149 343 N HA -0.122 4.618 4.740 -0.000 0.000 0.188 343 N C 1.491 176.857 175.510 -0.241 0.000 1.019 343 N CA 1.599 54.533 53.050 -0.194 0.000 0.857 343 N CB -0.200 38.179 38.487 -0.179 0.000 0.997 343 N HN 0.397 nan 8.380 nan 0.000 0.426 344 V N -0.870 118.819 119.914 -0.376 0.000 2.840 344 V HA 0.034 4.153 4.120 -0.000 0.000 0.234 344 V C 1.522 177.347 176.094 -0.448 0.000 1.159 344 V CA 0.439 62.468 62.300 -0.452 0.000 1.194 344 V CB -0.418 30.993 31.823 -0.687 0.000 0.971 344 V HN 0.014 nan 8.190 nan 0.000 0.494 345 Y N 0.709 120.711 120.300 -0.496 0.000 2.286 345 Y HA 0.003 4.553 4.550 -0.000 0.000 0.293 345 Y C 2.608 178.152 175.900 -0.593 0.000 1.124 345 Y CA 0.930 58.551 58.100 -0.799 0.000 1.178 345 Y CB -0.399 37.228 38.460 -1.388 0.000 1.010 345 Y HN 0.230 nan 8.280 nan 0.000 0.536 346 E N 0.618 120.625 120.200 -0.322 0.000 2.077 346 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 346 E C -0.816 175.684 176.600 -0.167 0.000 0.989 346 E CA 1.232 57.481 56.400 -0.250 0.000 0.800 346 E CB -1.039 28.523 29.700 -0.230 0.000 0.746 346 E HN 0.284 nan 8.360 nan 0.000 0.452 347 P HA -0.143 nan 4.420 nan 0.000 0.219 347 P C 1.310 178.578 177.300 -0.055 0.000 1.146 347 P CA 1.299 64.355 63.100 -0.073 0.000 0.808 347 P CB -0.204 31.466 31.700 -0.050 0.000 0.779 348 Q N -0.660 119.103 119.800 -0.062 0.000 2.226 348 Q HA -0.087 4.253 4.340 -0.000 0.000 0.204 348 Q C 0.577 176.584 176.000 0.011 0.000 0.975 348 Q CA 0.570 56.375 55.803 0.003 0.000 0.866 348 Q CB -0.365 28.403 28.738 0.050 0.000 0.915 348 Q HN 0.248 nan 8.270 nan 0.000 0.440 349 L N 0.636 121.835 121.223 -0.039 0.000 2.464 349 L HA 0.172 4.512 4.340 -0.000 0.000 0.264 349 L C 0.676 177.434 176.870 -0.186 0.000 1.199 349 L CA 0.097 54.883 54.840 -0.090 0.000 0.818 349 L CB 0.466 42.444 42.059 -0.135 0.000 1.102 349 L HN 0.178 nan 8.230 nan 0.000 0.473 350 Q N 0.916 120.589 119.800 -0.211 0.000 2.286 350 Q HA 0.404 4.744 4.340 -0.000 0.000 0.250 350 Q C -0.668 175.091 176.000 -0.402 0.000 1.021 350 Q CA -0.595 55.073 55.803 -0.226 0.000 0.930 350 Q CB 0.717 29.387 28.738 -0.114 0.000 1.266 350 Q HN 0.656 nan 8.270 nan 0.000 0.491 351 H N 0.646 119.553 119.070 -0.272 0.000 2.472 351 H HA 0.323 4.879 4.556 -0.000 0.000 0.335 351 H C -0.527 174.625 175.328 -0.294 0.000 1.136 351 H CA -0.604 55.277 56.048 -0.278 0.000 1.264 351 H CB 0.969 30.593 29.762 -0.229 0.000 1.486 351 H HN 0.713 nan 8.280 nan 0.000 0.517 352 H N 1.201 120.165 119.070 -0.177 0.000 2.652 352 H HA 0.137 4.692 4.556 -0.000 0.000 0.349 352 H C -0.169 175.144 175.328 -0.025 0.000 1.099 352 H CA -0.112 55.867 56.048 -0.115 0.000 1.417 352 H CB 1.375 31.032 29.762 -0.174 0.000 1.457 352 H HN 0.155 nan 8.280 nan 0.000 0.568 353 V N 1.627 121.598 119.914 0.095 0.000 2.555 353 V HA 0.600 4.720 4.120 -0.000 0.000 0.302 353 V C -0.246 175.909 176.094 0.100 0.000 1.038 353 V CA -0.664 61.679 62.300 0.072 0.000 0.887 353 V CB 1.653 33.478 31.823 0.003 0.000 0.991 353 V HN 0.943 nan 8.190 nan 0.000 0.434 354 A N 3.792 126.679 122.820 0.112 0.000 2.456 354 A HA 0.573 4.893 4.320 -0.000 0.000 0.288 354 A C -0.689 176.974 177.584 0.131 0.000 1.042 354 A CA -0.651 51.453 52.037 0.111 0.000 0.738 354 A CB 1.150 20.220 19.000 0.116 0.000 1.266 354 A HN 0.752 nan 8.150 nan 0.000 0.407 355 Q N 1.305 121.188 119.800 0.137 0.000 2.286 355 Q HA 0.340 4.680 4.340 -0.000 0.000 0.290 355 Q C -0.071 176.019 176.000 0.150 0.000 1.049 355 Q CA 0.552 56.477 55.803 0.204 0.000 0.923 355 Q CB 0.662 29.510 28.738 0.183 0.000 1.183 355 Q HN 0.480 nan 8.270 nan 0.000 0.383 356 K N 0.672 121.159 120.400 0.145 0.000 2.480 356 K HA 0.354 4.673 4.320 -0.000 0.000 0.258 356 K C -1.166 175.479 176.600 0.075 0.000 0.990 356 K CA -0.965 55.380 56.287 0.095 0.000 0.857 356 K CB 2.179 34.727 32.500 0.081 0.000 1.384 356 K HN 0.300 nan 8.250 nan 0.000 0.446 357 K N 1.418 121.855 120.400 0.062 0.000 2.244 357 K HA 0.413 4.733 4.320 -0.000 0.000 0.263 357 K C -0.204 176.431 176.600 0.058 0.000 1.103 357 K CA -0.437 55.881 56.287 0.052 0.000 0.966 357 K CB -0.456 32.074 32.500 0.051 0.000 1.429 357 K HN 0.427 nan 8.250 nan 0.000 0.434 358 I N 4.330 124.930 120.570 0.050 0.000 2.337 358 I HA 0.229 4.398 4.170 -0.000 0.000 0.291 358 I C -2.167 174.066 176.117 0.193 0.000 1.046 358 I CA -2.524 58.830 61.300 0.090 0.000 1.324 358 I CB 0.796 38.827 38.000 0.051 0.000 1.409 358 I HN 0.334 nan 8.210 nan 0.000 0.494 359 P HA 0.077 nan 4.420 nan 0.000 0.262 359 P C -1.344 176.204 177.300 0.414 0.000 1.199 359 P CA 0.280 63.532 63.100 0.253 0.000 0.763 359 P CB -0.033 31.823 31.700 0.260 0.000 0.790 360 Y N 0.952 121.377 120.300 0.209 0.000 2.638 360 Y HA 0.743 5.293 4.550 -0.000 0.000 0.339 360 Y C -1.463 174.600 175.900 0.273 0.000 1.084 360 Y CA -1.739 56.482 58.100 0.203 0.000 1.068 360 Y CB 0.922 39.442 38.460 0.100 0.000 1.294 360 Y HN 0.113 nan 8.280 nan 0.000 0.480 361 V N 2.269 122.248 119.914 0.109 0.000 2.435 361 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 361 V C -0.971 175.193 176.094 0.117 0.000 1.030 361 V CA -0.286 62.014 62.300 -0.000 0.000 0.881 361 V CB 1.233 33.008 31.823 -0.082 0.000 0.983 361 V HN 0.927 nan 8.190 nan 0.000 0.445 362 D N 3.704 124.112 120.400 0.014 0.000 2.283 362 D HA 0.226 4.866 4.640 -0.000 0.000 0.248 362 D C 1.217 177.698 176.300 0.301 0.000 1.072 362 D CA 0.415 54.520 54.000 0.175 0.000 0.929 362 D CB 2.045 42.889 40.800 0.073 0.000 1.182 362 D HN 0.483 nan 8.370 nan 0.000 0.433 363 S N 1.244 117.108 115.700 0.274 0.000 2.400 363 S HA -0.206 4.264 4.470 -0.000 0.000 0.232 363 S C 1.745 176.468 174.600 0.205 0.000 1.025 363 S CA 1.836 60.167 58.200 0.218 0.000 0.993 363 S CB -0.422 62.817 63.200 0.066 0.000 0.808 363 S HN 0.622 nan 8.310 nan 0.000 0.478 364 Q N 0.136 120.025 119.800 0.149 0.000 2.283 364 Q HA 0.447 4.787 4.340 -0.000 0.000 0.223 364 Q C 1.455 177.522 176.000 0.112 0.000 0.918 364 Q CA 1.036 56.905 55.803 0.110 0.000 0.952 364 Q CB -1.651 nan 28.738 nan 0.000 1.030 364 Q HN 0.929 nan 8.270 nan 0.000 0.452 365 G N -2.904 106.002 108.800 0.176 0.000 2.396 365 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 365 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 365 G C 0.661 175.569 174.900 0.014 0.000 1.069 365 G CA 0.436 45.594 45.100 0.096 0.000 0.633 365 G HN 1.909 nan 8.290 nan 0.000 0.517 366 Y N 0.097 120.411 120.300 0.024 0.000 2.336 366 Y HA 0.599 5.149 4.550 -0.000 0.000 0.331 366 Y C 0.240 176.134 175.900 -0.009 0.000 1.211 366 Y CA -0.716 57.385 58.100 0.002 0.000 1.346 366 Y CB 0.562 39.012 38.460 -0.016 0.000 1.271 366 Y HN 0.829 nan 8.280 nan 0.000 0.538 367 F N 6.142 125.987 119.950 -0.175 0.000 2.350 367 F HA 0.654 5.181 4.527 -0.000 0.000 0.365 367 F C -0.481 175.177 175.800 -0.236 0.000 1.122 367 F CA -2.474 55.394 58.000 -0.219 0.000 1.139 367 F CB -0.171 38.737 39.000 -0.153 0.000 1.220 367 F HN 0.425 nan 8.300 nan 0.000 0.499 368 I N 6.097 126.349 120.570 -0.531 0.000 2.377 368 I HA 0.394 4.564 4.170 -0.000 0.000 0.293 368 I C 0.029 175.844 176.117 -0.503 0.000 0.987 368 I CA -0.940 60.035 61.300 -0.542 0.000 1.185 368 I CB 1.294 38.980 38.000 -0.523 0.000 1.341 368 I HN 0.592 nan 8.210 nan 0.000 0.455 369 K N 7.785 127.956 120.400 -0.382 0.000 2.299 369 K HA 0.539 4.859 4.320 -0.000 0.000 0.268 369 K C -2.583 173.987 176.600 -0.050 0.000 1.075 369 K CA -1.541 54.624 56.287 -0.203 0.000 0.936 369 K CB -0.017 32.337 32.500 -0.242 0.000 1.228 369 K HN 0.469 nan 8.250 nan 0.000 0.454 370 P HA 0.225 nan 4.420 nan 0.000 0.274 370 P C -0.466 176.860 177.300 0.043 0.000 1.246 370 P CA -0.254 62.900 63.100 0.089 0.000 0.795 370 P CB 1.137 32.923 31.700 0.144 0.000 1.006 371 D N 0.225 120.649 120.400 0.040 0.000 2.323 371 D HA -0.007 4.632 4.640 -0.000 0.000 0.218 371 D C -0.042 176.283 176.300 0.042 0.000 0.973 371 D CA 0.494 54.512 54.000 0.031 0.000 0.890 371 D CB 0.189 41.002 40.800 0.023 0.000 1.011 371 D HN 0.345 nan 8.370 nan 0.000 0.499 372 K N 2.260 122.691 120.400 0.051 0.000 2.218 372 K HA 0.285 4.605 4.320 -0.000 0.000 0.276 372 K C -2.390 174.255 176.600 0.076 0.000 1.022 372 K CA -1.703 54.624 56.287 0.066 0.000 0.946 372 K CB 1.075 33.619 32.500 0.073 0.000 1.000 372 K HN 0.062 nan 8.250 nan 0.000 0.468 373 P HA -0.006 nan 4.420 nan 0.000 0.271 373 P C -0.740 176.648 177.300 0.146 0.000 1.216 373 P CA -0.056 63.120 63.100 0.127 0.000 0.771 373 P CB 0.649 32.453 31.700 0.174 0.000 0.864 374 N N 1.684 120.331 118.700 -0.088 0.000 2.332 374 N HA 0.123 4.862 4.740 -0.000 0.000 0.190 374 N C 0.746 175.633 175.510 -1.038 0.000 1.117 374 N CA 0.115 52.881 53.050 -0.473 0.000 0.883 374 N CB 0.294 38.522 38.487 -0.432 0.000 1.089 374 N HN 0.473 nan 8.380 nan 0.000 0.480 375 G N 0.683 109.171 108.800 -0.521 0.000 2.975 375 G HA2 0.676 4.635 3.960 -0.000 0.000 0.291 375 G HA3 0.676 4.635 3.960 -0.000 0.000 0.291 375 G C -1.362 173.557 174.900 0.031 0.000 1.334 375 G CA -0.832 44.041 45.100 -0.379 0.000 0.843 375 G HN 0.253 nan 8.290 nan 0.000 0.548 376 I N -2.742 117.897 120.570 0.115 0.000 2.689 376 I HA 0.806 4.976 4.170 -0.000 0.000 0.299 376 I C -0.375 175.823 176.117 0.135 0.000 1.059 376 I CA -1.000 60.412 61.300 0.187 0.000 1.055 376 I CB 2.348 40.511 38.000 0.270 0.000 1.243 376 I HN 0.341 nan 8.210 nan 0.000 0.425 380 K N 0.599 120.760 120.400 -0.397 0.000 2.482 380 K HA 0.646 4.966 4.320 -0.000 0.000 0.257 380 K C -1.486 174.738 176.600 -0.625 0.000 0.969 380 K CA -0.744 55.191 56.287 -0.587 0.000 0.842 380 K CB 1.360 33.664 32.500 -0.326 0.000 1.359 380 K HN 0.170 nan 8.250 nan 0.000 0.441 381 F N 0.120 119.891 119.950 -0.298 0.000 2.561 381 F HA 0.277 4.804 4.527 -0.000 0.000 0.321 381 F C 1.375 176.917 175.800 -0.430 0.000 1.065 381 F CA -1.238 56.428 58.000 -0.557 0.000 0.934 381 F CB 0.821 39.063 39.000 -1.263 0.000 1.215 381 F HN 0.198 nan 8.300 nan 0.000 0.471 382 V N 1.511 121.360 119.914 -0.108 0.000 2.282 382 V HA -0.347 3.773 4.120 -0.000 0.000 0.249 382 V C 1.988 178.144 176.094 0.105 0.000 1.057 382 V CA 2.416 64.775 62.300 0.098 0.000 1.032 382 V CB -0.778 31.195 31.823 0.250 0.000 0.645 382 V HN 0.752 nan 8.190 nan 0.000 0.447 383 F N -0.078 119.844 119.950 -0.047 0.000 2.816 383 F HA 0.182 4.709 4.527 -0.000 0.000 0.302 383 F C 1.474 176.950 175.800 -0.541 0.000 1.178 383 F CA -0.075 57.515 58.000 -0.683 0.000 1.421 383 F CB -1.123 37.450 39.000 -0.712 0.000 1.114 383 F HN 0.134 nan 8.300 nan 0.000 0.573 384 D N 1.847 122.142 120.400 -0.175 0.000 2.350 384 D HA -0.074 4.566 4.640 -0.000 0.000 0.216 384 D C 1.760 178.079 176.300 0.032 0.000 0.968 384 D CA 1.280 55.281 54.000 0.002 0.000 0.894 384 D CB -0.031 40.764 40.800 -0.008 0.000 0.909 384 D HN 0.632 nan 8.370 nan 0.000 0.520 385 I N -3.739 116.863 120.570 0.053 0.000 3.941 385 I HA 0.142 4.312 4.170 -0.000 0.000 0.335 385 I C 1.087 177.482 176.117 0.463 0.000 1.402 385 I CA -0.231 61.212 61.300 0.239 0.000 1.112 385 I CB -0.286 37.714 38.000 0.001 0.000 1.043 385 I HN -0.337 nan 8.210 nan 0.000 0.395 386 F N 2.386 122.447 119.950 0.184 0.000 2.171 386 F HA -0.173 4.354 4.527 -0.000 0.000 0.300 386 F C 2.624 178.399 175.800 -0.042 0.000 1.090 386 F CA 1.654 59.681 58.000 0.045 0.000 1.293 386 F CB -1.317 37.467 39.000 -0.360 0.000 1.013 386 F HN 0.430 nan 8.300 nan 0.000 0.486 387 Q N -0.709 119.108 119.800 0.028 0.000 2.234 387 Q HA -0.220 4.120 4.340 -0.000 0.000 0.206 387 Q C 1.524 177.333 176.000 -0.319 0.000 0.980 387 Q CA 1.929 57.601 55.803 -0.220 0.000 0.869 387 Q CB -0.999 27.462 28.738 -0.461 0.000 0.912 387 Q HN 0.335 nan 8.270 nan 0.000 0.436 388 F N 1.243 121.172 119.950 -0.034 0.000 2.789 388 F HA 0.336 4.863 4.527 -0.000 0.000 0.300 388 F C 1.115 176.942 175.800 0.045 0.000 1.132 388 F CA -0.187 57.691 58.000 -0.204 0.000 1.404 388 F CB -0.144 38.444 39.000 -0.687 0.000 1.114 388 F HN 0.065 nan 8.300 nan 0.000 0.584 389 A N 0.960 123.915 122.820 0.225 0.000 2.520 389 A HA 0.411 4.731 4.320 -0.000 0.000 0.245 389 A C 1.602 179.179 177.584 -0.012 0.000 1.072 389 A CA 0.472 52.434 52.037 -0.126 0.000 0.761 389 A CB 0.129 19.067 19.000 -0.103 0.000 1.004 389 A HN 0.380 nan 8.150 nan 0.000 0.499 390 K N 2.003 122.376 120.400 -0.046 0.000 2.155 390 K HA 0.023 4.343 4.320 -0.000 0.000 0.203 390 K C 0.967 177.576 176.600 0.014 0.000 1.052 390 K CA 1.976 58.274 56.287 0.019 0.000 0.948 390 K CB -0.170 32.351 32.500 0.035 0.000 0.728 390 K HN 0.748 nan 8.250 nan 0.000 0.448 391 K N -0.046 120.333 120.400 -0.036 0.000 2.664 391 K HA 0.393 4.713 4.320 -0.000 0.000 0.234 391 K C -1.703 174.867 176.600 -0.050 0.000 0.980 391 K CA -0.729 55.542 56.287 -0.026 0.000 0.996 391 K CB 0.325 32.785 32.500 -0.066 0.000 1.190 391 K HN 0.143 nan 8.250 nan 0.000 0.479 392 F N 4.375 124.225 119.950 -0.166 0.000 2.410 392 F HA 0.473 5.000 4.527 -0.000 0.000 0.348 392 F C -0.732 174.860 175.800 -0.347 0.000 1.106 392 F CA -0.219 57.591 58.000 -0.317 0.000 1.163 392 F CB 0.855 39.546 39.000 -0.514 0.000 1.129 392 F HN 0.128 nan 8.300 nan 0.000 0.516 393 V N 5.706 125.015 119.914 -1.008 0.000 2.914 393 V HA 0.648 4.768 4.120 -0.000 0.000 0.314 393 V C -0.973 174.644 176.094 -0.794 0.000 1.084 393 V CA -0.964 60.910 62.300 -0.711 0.000 0.963 393 V CB 1.935 33.444 31.823 -0.524 0.000 1.025 393 V HN 0.549 nan 8.190 nan 0.000 0.432 394 V N 2.693 122.435 119.914 -0.287 0.000 2.638 394 V HA 0.455 4.575 4.120 -0.000 0.000 0.306 394 V C -1.620 174.531 176.094 0.095 0.000 1.052 394 V CA -0.668 61.553 62.300 -0.131 0.000 0.885 394 V CB 1.891 33.660 31.823 -0.089 0.000 0.999 394 V HN 0.798 nan 8.190 nan 0.000 0.424 395 Y N 3.565 123.793 120.300 -0.120 0.000 2.326 395 Y HA 0.518 5.067 4.550 -0.000 0.000 0.331 395 Y C 0.041 175.753 175.900 -0.314 0.000 0.962 395 Y CA -0.552 57.345 58.100 -0.339 0.000 1.167 395 Y CB 1.441 39.693 38.460 -0.348 0.000 1.148 395 Y HN 0.765 nan 8.280 nan 0.000 0.463 396 E N 5.606 125.444 120.200 -0.605 0.000 2.249 396 E HA 0.590 4.940 4.350 -0.000 0.000 0.280 396 E C -1.220 175.016 176.600 -0.607 0.000 1.016 396 E CA -0.653 55.475 56.400 -0.453 0.000 0.830 396 E CB 1.037 30.566 29.700 -0.286 0.000 1.081 396 E HN 0.558 nan 8.360 nan 0.000 0.395 397 V N 1.327 121.024 119.914 -0.363 0.000 3.158 397 V HA 0.531 4.651 4.120 -0.000 0.000 0.311 397 V C -0.469 175.552 176.094 -0.123 0.000 1.181 397 V CA -1.197 60.949 62.300 -0.255 0.000 1.054 397 V CB 1.266 32.997 31.823 -0.155 0.000 1.085 397 V HN 0.628 nan 8.190 nan 0.000 0.446 398 L N 1.619 122.808 121.223 -0.057 0.000 2.349 398 L HA 0.504 4.844 4.340 -0.000 0.000 0.275 398 L C 1.871 178.761 176.870 0.034 0.000 1.115 398 L CA -0.249 54.586 54.840 -0.009 0.000 0.820 398 L CB 0.756 42.822 42.059 0.011 0.000 1.135 398 L HN 0.884 nan 8.230 nan 0.000 0.445 399 R N 2.415 122.948 120.500 0.055 0.000 2.070 399 R HA -0.159 4.180 4.340 -0.000 0.000 0.233 399 R C 1.892 178.236 176.300 0.075 0.000 1.137 399 R CA 1.860 58.029 56.100 0.115 0.000 0.945 399 R CB -0.067 30.298 30.300 0.110 0.000 0.845 399 R HN 0.839 nan 8.270 nan 0.000 0.430 400 E N 0.048 120.269 120.200 0.035 0.000 2.333 400 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 400 E C 0.377 176.987 176.600 0.016 0.000 1.007 400 E CA 1.364 57.768 56.400 0.007 0.000 0.845 400 E CB -0.049 29.653 29.700 0.003 0.000 0.766 400 E HN 0.449 nan 8.360 nan 0.000 0.507 401 D N 0.484 120.919 120.400 0.058 0.000 2.388 401 D HA 0.065 4.705 4.640 -0.000 0.000 0.208 401 D C 1.290 177.647 176.300 0.097 0.000 1.035 401 D CA 0.428 54.488 54.000 0.100 0.000 0.875 401 D CB 0.373 41.262 40.800 0.148 0.000 0.984 401 D HN 0.319 nan 8.370 nan 0.000 0.508 402 E N -1.153 119.103 120.200 0.094 0.000 2.500 402 E HA 0.099 4.448 4.350 -0.000 0.000 0.217 402 E C -0.420 176.294 176.600 0.190 0.000 0.848 402 E CA -0.157 56.311 56.400 0.113 0.000 1.217 402 E CB 1.553 31.305 29.700 0.085 0.000 1.217 402 E HN 0.021 nan 8.360 nan 0.000 0.573 403 F N 1.587 121.525 119.950 -0.020 0.000 2.612 403 F HA 0.458 4.984 4.527 -0.000 0.000 0.332 403 F C -1.237 174.544 175.800 -0.032 0.000 1.167 403 F CA -1.081 56.906 58.000 -0.021 0.000 0.970 403 F CB 1.923 40.910 39.000 -0.021 0.000 1.234 403 F HN -0.286 nan 8.300 nan 0.000 0.453 404 S N 8.649 124.132 115.700 -0.361 0.000 2.680 404 S HA 0.559 5.029 4.470 -0.000 0.000 0.262 404 S C -3.249 171.115 174.600 -0.392 0.000 1.138 404 S CA -0.971 56.935 58.200 -0.491 0.000 1.072 404 S CB 1.427 64.466 63.200 -0.268 0.000 1.097 404 S HN 0.437 nan 8.310 nan 0.000 0.468 405 P HA 0.421 nan 4.420 nan 0.000 0.287 405 P C -1.121 176.066 177.300 -0.189 0.000 1.270 405 P CA -0.877 62.078 63.100 -0.241 0.000 0.844 405 P CB 1.183 32.769 31.700 -0.190 0.000 1.068 406 L N 3.048 124.189 121.223 -0.137 0.000 2.283 406 L HA 0.336 4.675 4.340 -0.000 0.000 0.281 406 L C 0.839 177.611 176.870 -0.163 0.000 1.033 406 L CA 0.421 55.156 54.840 -0.174 0.000 0.848 406 L CB 0.063 42.004 42.059 -0.196 0.000 1.226 406 L HN 0.328 nan 8.230 nan 0.000 0.429 407 K N 2.268 122.576 120.400 -0.153 0.000 2.362 407 K HA 0.331 4.651 4.320 -0.000 0.000 0.203 407 K C -0.106 176.416 176.600 -0.130 0.000 1.198 407 K CA -0.092 56.126 56.287 -0.116 0.000 0.908 407 K CB 0.605 33.061 32.500 -0.074 0.000 1.236 407 K HN 0.517 nan 8.250 nan 0.000 0.487 408 N N 0.646 119.263 118.700 -0.138 0.000 2.362 408 N HA 0.344 5.084 4.740 -0.000 0.000 0.299 408 N C -0.841 174.580 175.510 -0.149 0.000 1.170 408 N CA -0.434 52.542 53.050 -0.123 0.000 0.825 408 N CB 1.624 40.057 38.487 -0.089 0.000 1.299 408 N HN 0.024 nan 8.380 nan 0.000 0.502 409 A N -0.015 122.732 122.820 -0.123 0.000 2.406 409 A HA 0.059 4.379 4.320 -0.000 0.000 0.243 409 A C -0.024 177.516 177.584 -0.073 0.000 1.082 409 A CA -0.016 51.959 52.037 -0.103 0.000 0.786 409 A CB -0.072 18.887 19.000 -0.068 0.000 1.029 409 A HN 0.560 nan 8.150 nan 0.000 0.495 410 D N 1.395 121.768 120.400 -0.046 0.000 2.441 410 D HA 0.276 4.916 4.640 -0.000 0.000 0.243 410 D C 0.493 176.776 176.300 -0.029 0.000 1.257 410 D CA 0.602 54.580 54.000 -0.036 0.000 1.027 410 D CB 0.034 40.828 40.800 -0.010 0.000 1.084 410 D HN 0.399 nan 8.370 nan 0.000 0.514 411 S N 1.809 117.488 115.700 -0.036 0.000 2.337 411 S HA 0.496 4.966 4.470 -0.000 0.000 0.258 411 S C 0.296 174.882 174.600 -0.023 0.000 1.178 411 S CA -0.491 57.692 58.200 -0.028 0.000 1.023 411 S CB 0.990 64.171 63.200 -0.031 0.000 1.136 411 S HN 0.428 nan 8.310 nan 0.000 0.458 415 K N -0.218 120.143 120.400 -0.065 0.000 2.526 415 K HA 0.450 4.770 4.320 -0.000 0.000 0.256 415 K C -0.335 176.204 176.600 -0.102 0.000 1.035 415 K CA -0.655 55.583 56.287 -0.081 0.000 1.011 415 K CB 0.509 32.959 32.500 -0.084 0.000 1.343 415 K HN 0.490 nan 8.250 nan 0.000 0.510 416 D N 1.761 122.083 120.400 -0.130 0.000 2.802 416 D HA -0.188 4.451 4.640 -0.000 0.000 0.229 416 D C -0.701 175.509 176.300 -0.149 0.000 1.203 416 D CA 1.137 55.043 54.000 -0.157 0.000 0.712 416 D CB -1.267 39.446 40.800 -0.146 0.000 0.973 416 D HN 0.655 nan 8.370 nan 0.000 0.407 417 N N -2.723 115.887 118.700 -0.150 0.000 3.204 417 N HA 0.476 5.216 4.740 -0.000 0.000 0.285 417 N C -2.703 172.714 175.510 -0.155 0.000 1.536 417 N CA -1.518 51.439 53.050 -0.155 0.000 0.832 417 N CB 0.726 39.141 38.487 -0.120 0.000 1.645 417 N HN -0.307 nan 8.380 nan 0.000 0.586 418 P HA -0.139 nan 4.420 nan 0.000 0.215 418 P C 1.200 178.419 177.300 -0.134 0.000 1.153 418 P CA 2.790 65.848 63.100 -0.070 0.000 0.853 418 P CB -0.189 31.555 31.700 0.072 0.000 0.788 419 T N -4.280 110.172 114.554 -0.170 0.000 2.777 419 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 419 T C 1.802 176.261 174.700 -0.403 0.000 1.040 419 T CA 2.001 63.898 62.100 -0.338 0.000 1.141 419 T CB -1.808 66.912 68.868 -0.247 0.000 0.868 419 T HN 0.000 nan 8.240 nan 0.000 0.444 420 T N 2.405 116.847 114.554 -0.188 0.000 2.607 420 T HA -0.060 4.290 4.350 -0.000 0.000 0.267 420 T C 2.442 177.054 174.700 -0.147 0.000 1.049 420 T CA 1.816 63.847 62.100 -0.115 0.000 1.162 420 T CB -1.031 67.765 68.868 -0.119 0.000 0.863 420 T HN 0.634 nan 8.240 nan 0.000 0.424 421 A N 1.475 124.193 122.820 -0.170 0.000 1.858 421 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 421 A C 2.270 179.751 177.584 -0.172 0.000 1.190 421 A CA 2.142 54.082 52.037 -0.162 0.000 0.617 421 A CB -0.735 18.183 19.000 -0.137 0.000 0.827 421 A HN 0.475 nan 8.150 nan 0.000 0.443 422 R N -1.216 119.162 120.500 -0.204 0.000 2.115 422 R HA -0.254 4.086 4.340 -0.000 0.000 0.239 422 R C 2.194 178.372 176.300 -0.205 0.000 1.133 422 R CA 2.207 58.169 56.100 -0.230 0.000 0.935 422 R CB -0.572 29.557 30.300 -0.286 0.000 0.853 422 R HN 0.653 nan 8.270 nan 0.000 0.433 423 H N -0.163 118.818 119.070 -0.148 0.000 2.352 423 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 423 H C 1.996 177.208 175.328 -0.193 0.000 1.097 423 H CA 1.603 57.553 56.048 -0.163 0.000 1.311 423 H CB -0.649 29.029 29.762 -0.140 0.000 1.377 423 H HN 0.478 nan 8.280 nan 0.000 0.504 424 A N 1.134 123.914 122.820 -0.067 0.000 1.908 424 A HA -0.081 4.239 4.320 -0.000 0.000 0.218 424 A C 1.675 179.116 177.584 -0.239 0.000 1.181 424 A CA 0.562 52.516 52.037 -0.139 0.000 0.627 424 A CB -0.787 18.125 19.000 -0.147 0.000 0.818 424 A HN 0.235 nan 8.150 nan 0.000 0.445 428 L N 3.166 124.230 121.223 -0.266 0.000 1.990 428 L HA 0.007 4.346 4.340 -0.000 0.000 0.213 428 L C 1.907 178.458 176.870 -0.532 0.000 1.072 428 L CA 2.877 57.492 54.840 -0.375 0.000 0.755 428 L CB -1.188 40.561 42.059 -0.518 0.000 0.889 428 L HN 0.632 nan 8.230 nan 0.000 0.432 429 H N -2.774 115.896 119.070 -0.666 0.000 2.389 429 H HA -0.197 4.358 4.556 -0.000 0.000 0.299 429 H C 2.162 177.429 175.328 -0.102 0.000 1.081 429 H CA 0.966 56.680 56.048 -0.557 0.000 1.345 429 H CB -0.117 29.395 29.762 -0.416 0.000 1.393 429 H HN 0.600 nan 8.280 nan 0.000 0.520 430 H N 0.518 119.573 119.070 -0.025 0.000 2.357 430 H HA -0.192 4.363 4.556 -0.000 0.000 0.296 430 H C 2.082 177.496 175.328 0.143 0.000 1.108 430 H CA 2.128 58.182 56.048 0.010 0.000 1.273 430 H CB -0.513 29.132 29.762 -0.195 0.000 1.367 430 H HN 0.316 nan 8.280 nan 0.000 0.498 431 C N -0.734 118.566 119.300 0.000 0.000 2.466 431 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 431 C C 2.377 177.483 174.990 0.193 0.000 1.288 431 C CA 0.392 59.432 59.018 0.037 0.000 1.722 431 C CB -1.356 26.464 27.740 0.134 0.000 2.017 431 C HN 0.730 nan 8.230 nan 0.000 0.488 432 W N 0.910 122.227 121.300 0.028 0.000 2.321 432 W HA -0.112 4.548 4.660 -0.000 0.000 0.306 432 W C 2.369 178.874 176.519 -0.024 0.000 1.217 432 W CA 0.914 58.267 57.345 0.013 0.000 1.257 432 W CB -1.570 27.903 29.460 0.022 0.000 1.145 432 W HN 0.127 nan 8.180 nan 0.000 0.509 433 V N 0.366 120.409 119.914 0.215 0.000 2.295 433 V HA -0.302 3.818 4.120 -0.000 0.000 0.246 433 V C 2.345 178.428 176.094 -0.018 0.000 1.049 433 V CA 1.686 64.022 62.300 0.061 0.000 1.024 433 V CB -1.101 30.754 31.823 0.053 0.000 0.648 433 V HN 0.091 nan 8.190 nan 0.000 0.447 434 L N 0.148 121.360 121.223 -0.019 0.000 2.046 434 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 434 L C 2.302 179.137 176.870 -0.059 0.000 1.077 434 L CA 1.391 56.183 54.840 -0.080 0.000 0.747 434 L CB -0.705 41.315 42.059 -0.066 0.000 0.896 434 L HN 0.385 nan 8.230 nan 0.000 0.432 435 N N 0.254 118.957 118.700 0.005 0.000 2.520 435 N HA -0.068 4.671 4.740 -0.000 0.000 0.185 435 N C 1.257 176.764 175.510 -0.005 0.000 1.068 435 N CA 1.072 54.130 53.050 0.014 0.000 0.911 435 N CB 0.033 38.548 38.487 0.046 0.000 0.961 435 N HN 0.249 nan 8.380 nan 0.000 0.446 436 A N -0.578 122.235 122.820 -0.012 0.000 2.460 436 A HA 0.520 4.840 4.320 -0.000 0.000 0.258 436 A C 1.344 178.911 177.584 -0.029 0.000 1.300 436 A CA 0.304 52.333 52.037 -0.014 0.000 0.913 436 A CB -0.304 18.699 19.000 0.005 0.000 1.031 436 A HN 0.215 nan 8.150 nan 0.000 0.512 437 G N -1.335 107.420 108.800 -0.075 0.000 2.159 437 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.256 437 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.256 437 G C 0.750 175.490 174.900 -0.267 0.000 0.977 437 G CA 0.281 45.312 45.100 -0.115 0.000 0.652 437 G HN 1.411 nan 8.290 nan 0.000 0.531 438 G N -0.831 107.812 108.800 -0.262 0.000 2.572 438 G HA2 0.560 4.520 3.960 -0.000 0.000 0.261 438 G HA3 0.560 4.520 3.960 -0.000 0.000 0.261 438 G C -0.355 174.164 174.900 -0.635 0.000 1.197 438 G CA -0.174 44.778 45.100 -0.246 0.000 0.870 438 G HN 0.481 nan 8.290 nan 0.000 0.548 439 H N -0.863 118.173 119.070 -0.056 0.000 2.980 439 H HA 0.463 5.019 4.556 -0.000 0.000 0.367 439 H C -1.365 173.854 175.328 -0.182 0.000 1.206 439 H CA -0.416 55.598 56.048 -0.057 0.000 1.126 439 H CB 2.080 31.849 29.762 0.011 0.000 1.838 439 H HN 0.354 nan 8.280 nan 0.000 0.552 440 F N 0.673 120.815 119.950 0.321 0.000 2.577 440 F HA 0.573 5.099 4.527 -0.000 0.000 0.318 440 F C -0.078 175.855 175.800 0.222 0.000 1.065 440 F CA -0.605 57.563 58.000 0.280 0.000 0.929 440 F CB 2.007 41.167 39.000 0.265 0.000 1.237 440 F HN 0.194 nan 8.300 nan 0.000 0.468 441 I N 2.537 123.371 120.570 0.440 0.000 2.607 441 I HA 0.159 4.328 4.170 -0.000 0.000 0.290 441 I C -0.852 175.453 176.117 0.313 0.000 1.129 441 I CA -0.793 60.676 61.300 0.280 0.000 1.042 441 I CB 1.787 39.898 38.000 0.185 0.000 1.242 441 I HN 0.658 nan 8.210 nan 0.000 0.421 442 D N 5.123 125.635 120.400 0.187 0.000 2.314 442 D HA 0.023 4.663 4.640 -0.000 0.000 0.252 442 D C 1.035 177.334 176.300 -0.002 0.000 1.295 442 D CA 0.389 54.480 54.000 0.153 0.000 0.995 442 D CB 0.560 41.415 40.800 0.092 0.000 1.125 442 D HN 0.625 nan 8.370 nan 0.000 0.537 443 E N -0.176 120.020 120.200 -0.007 0.000 2.160 443 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 443 E C 1.614 178.140 176.600 -0.123 0.000 0.991 443 E CA 1.461 57.785 56.400 -0.127 0.000 0.810 443 E CB -0.834 28.859 29.700 -0.012 0.000 0.742 443 E HN 0.528 nan 8.360 nan 0.000 0.466 444 N N -1.138 117.528 118.700 -0.056 0.000 2.424 444 N HA 0.149 4.889 4.740 -0.000 0.000 0.178 444 N C 1.462 176.948 175.510 -0.039 0.000 1.060 444 N CA 1.015 54.041 53.050 -0.040 0.000 0.901 444 N CB 1.274 39.752 38.487 -0.015 0.000 0.979 444 N HN 0.622 nan 8.380 nan 0.000 0.451 445 G N 0.769 109.547 108.800 -0.036 0.000 2.201 445 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.212 445 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.212 445 G C 0.140 175.040 174.900 0.000 0.000 0.994 445 G CA 0.264 45.350 45.100 -0.024 0.000 0.644 445 G HN 0.489 nan 8.290 nan 0.000 0.508 446 S N 0.694 116.402 115.700 0.012 0.000 2.565 446 S HA 0.626 5.096 4.470 -0.000 0.000 0.276 446 S C 0.648 175.279 174.600 0.051 0.000 1.326 446 S CA 0.091 58.302 58.200 0.020 0.000 1.045 446 S CB 1.026 64.236 63.200 0.017 0.000 0.918 446 S HN 0.991 nan 8.310 nan 0.000 0.505 447 R N 1.719 122.248 120.500 0.049 0.000 2.490 447 R HA 0.538 4.878 4.340 -0.000 0.000 0.280 447 R C -0.662 175.710 176.300 0.120 0.000 1.077 447 R CA -0.851 55.309 56.100 0.100 0.000 1.065 447 R CB -0.201 30.141 30.300 0.071 0.000 1.003 447 R HN 0.577 nan 8.270 nan 0.000 0.470 448 L N -0.100 121.230 121.223 0.179 0.000 2.331 448 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 448 L C -2.241 174.735 176.870 0.177 0.000 1.022 448 L CA -2.705 52.227 54.840 0.153 0.000 0.812 448 L CB 0.108 42.252 42.059 0.142 0.000 1.257 448 L HN 0.543 nan 8.230 nan 0.000 0.435 449 P HA 0.084 nan 4.420 nan 0.000 0.269 449 P C 0.512 177.910 177.300 0.164 0.000 1.217 449 P CA -0.115 63.060 63.100 0.125 0.000 0.783 449 P CB 0.710 32.456 31.700 0.077 0.000 0.898 450 A N 2.248 125.169 122.820 0.169 0.000 1.986 450 A HA -0.098 4.222 4.320 -0.000 0.000 0.220 450 A C 1.245 178.942 177.584 0.187 0.000 1.171 450 A CA 1.231 53.392 52.037 0.207 0.000 0.640 450 A CB -0.813 18.275 19.000 0.147 0.000 0.811 450 A HN 0.569 nan 8.150 nan 0.000 0.451 451 I N -0.546 120.079 120.570 0.093 0.000 2.411 451 I HA 0.446 4.616 4.170 -0.000 0.000 0.284 451 I C -1.119 174.998 176.117 0.000 0.000 1.012 451 I CA -1.467 59.849 61.300 0.027 0.000 1.119 451 I CB 1.541 39.553 38.000 0.019 0.000 1.261 451 I HN 0.160 nan 8.210 nan 0.000 0.448 478 P HA 0.620 nan 4.420 nan 0.000 0.274 478 P C -0.604 176.562 177.300 -0.224 0.000 1.237 478 P CA -0.092 62.866 63.100 -0.237 0.000 0.793 478 P CB 0.595 32.113 31.700 -0.305 0.000 0.977 479 I N 1.773 122.143 120.570 -0.334 0.000 2.494 479 I HA -0.019 4.150 4.170 -0.000 0.000 0.289 479 I C 1.028 176.973 176.117 -0.287 0.000 1.106 479 I CA 0.059 61.141 61.300 -0.364 0.000 1.369 479 I CB -0.194 37.432 38.000 -0.623 0.000 1.410 479 I HN 0.185 nan 8.210 nan 0.000 0.523 480 Q N 5.765 125.464 119.800 -0.170 0.000 2.296 480 Q HA 0.287 4.627 4.340 -0.000 0.000 0.262 480 Q C -0.648 175.317 176.000 -0.058 0.000 0.981 480 Q CA -0.057 55.685 55.803 -0.102 0.000 0.905 480 Q CB 1.788 30.486 28.738 -0.067 0.000 1.186 480 Q HN 0.663 nan 8.270 nan 0.000 0.399 481 C N 3.237 122.517 119.300 -0.033 0.000 2.832 481 C HA 0.324 4.784 4.460 -0.000 0.000 0.383 481 C C -1.252 173.778 174.990 0.066 0.000 1.046 481 C CA -0.345 58.700 59.018 0.045 0.000 1.242 481 C CB 1.374 29.172 27.740 0.096 0.000 1.693 481 C HN 0.984 nan 8.230 nan 0.000 0.497 482 E N 5.199 125.451 120.200 0.087 0.000 2.246 482 E HA 0.665 5.015 4.350 -0.000 0.000 0.266 482 E C -1.352 175.293 176.600 0.074 0.000 0.880 482 E CA -0.439 56.051 56.400 0.149 0.000 0.762 482 E CB 1.413 31.150 29.700 0.061 0.000 1.180 482 E HN 0.747 nan 8.360 nan 0.000 0.416 483 I N 2.395 122.953 120.570 -0.020 0.000 2.465 483 I HA 0.195 4.365 4.170 -0.000 0.000 0.291 483 I C 0.208 176.242 176.117 -0.138 0.000 1.014 483 I CA -0.808 60.380 61.300 -0.186 0.000 1.093 483 I CB 2.018 39.834 38.000 -0.307 0.000 1.267 483 I HN 0.343 nan 8.210 nan 0.000 0.431 484 S N 6.589 122.254 115.700 -0.057 0.000 2.531 484 S HA 0.212 4.682 4.470 -0.000 0.000 0.279 484 S C -1.506 173.102 174.600 0.012 0.000 1.305 484 S CA -1.064 57.135 58.200 -0.003 0.000 1.058 484 S CB 0.919 64.126 63.200 0.012 0.000 0.899 484 S HN 0.365 nan 8.310 nan 0.000 0.493 485 P HA -0.162 nan 4.420 nan 0.000 0.218 485 P C 1.365 178.712 177.300 0.078 0.000 1.150 485 P CA 1.269 64.413 63.100 0.073 0.000 0.841 485 P CB -0.025 31.709 31.700 0.055 0.000 0.784 486 L N -1.657 119.602 121.223 0.061 0.000 2.043 486 L HA -0.200 4.139 4.340 -0.000 0.000 0.212 486 L C 2.262 179.160 176.870 0.046 0.000 1.075 486 L CA 1.375 56.252 54.840 0.062 0.000 0.752 486 L CB -0.884 41.211 42.059 0.060 0.000 0.891 486 L HN -0.001 nan 8.230 nan 0.000 0.432 487 I N -1.581 118.992 120.570 0.005 0.000 2.277 487 I HA -0.064 4.106 4.170 -0.000 0.000 0.243 487 I C 1.104 177.219 176.117 -0.004 0.000 1.094 487 I CA 0.865 62.140 61.300 -0.042 0.000 1.393 487 I CB -0.403 37.474 38.000 -0.204 0.000 1.078 487 I HN 0.094 nan 8.210 nan 0.000 0.417 488 S N -1.557 114.153 115.700 0.016 0.000 2.649 488 S HA 0.274 4.743 4.470 -0.000 0.000 0.274 488 S C 0.171 174.815 174.600 0.074 0.000 1.176 488 S CA -0.622 57.576 58.200 -0.003 0.000 0.988 488 S CB 0.924 64.072 63.200 -0.087 0.000 1.071 488 S HN 0.211 nan 8.310 nan 0.000 0.478 489 Y N 4.726 124.975 120.300 -0.086 0.000 2.130 489 Y HA 0.346 4.896 4.550 -0.000 0.000 0.287 489 Y C 1.515 177.402 175.900 -0.021 0.000 1.124 489 Y CA 2.058 60.154 58.100 -0.007 0.000 1.118 489 Y CB 0.082 38.520 38.460 -0.038 0.000 0.994 489 Y HN 0.730 nan 8.280 nan 0.000 0.497 490 A N -1.489 121.269 122.820 -0.103 0.000 2.594 490 A HA 0.556 4.876 4.320 -0.000 0.000 0.292 490 A C 1.042 177.890 177.584 -1.227 0.000 1.026 490 A CA 0.307 52.115 52.037 -0.382 0.000 0.983 490 A CB -0.470 18.592 19.000 0.103 0.000 1.233 490 A HN 0.919 nan 8.150 nan 0.000 0.519 491 G N 0.260 107.945 108.800 -1.858 0.000 2.179 491 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.220 491 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.220 491 G C 0.057 174.592 174.900 -0.608 0.000 0.990 491 G CA 0.164 44.293 45.100 -1.618 0.000 0.646 491 G HN 0.900 nan 8.290 nan 0.000 0.517 492 E N 0.954 120.900 120.200 -0.422 0.000 2.345 492 E HA 0.501 4.850 4.350 -0.000 0.000 0.259 492 E C 1.217 177.749 176.600 -0.113 0.000 1.117 492 E CA 0.233 56.510 56.400 -0.204 0.000 0.913 492 E CB 0.525 30.134 29.700 -0.152 0.000 1.057 492 E HN 1.656 nan 8.360 nan 0.000 0.432 493 G N 1.122 109.901 108.800 -0.036 0.000 2.153 493 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.252 493 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.252 493 G C 0.617 175.614 174.900 0.162 0.000 0.994 493 G CA 0.639 45.771 45.100 0.052 0.000 0.698 493 G HN 0.444 nan 8.290 nan 0.000 0.521 494 L N -0.810 120.476 121.223 0.104 0.000 2.416 494 L HA 0.318 4.658 4.340 -0.000 0.000 0.216 494 L C 2.965 179.942 176.870 0.178 0.000 1.098 494 L CA 1.265 56.216 54.840 0.185 0.000 0.840 494 L CB -0.556 41.543 42.059 0.066 0.000 0.981 494 L HN 0.378 nan 8.230 nan 0.000 0.462 495 E N 1.133 121.378 120.200 0.075 0.000 2.118 495 E HA -0.169 4.181 4.350 -0.000 0.000 0.195 495 E C 2.235 178.837 176.600 0.004 0.000 0.992 495 E CA 1.394 57.814 56.400 0.034 0.000 0.804 495 E CB -1.407 28.295 29.700 0.003 0.000 0.741 495 E HN 0.554 nan 8.360 nan 0.000 0.458 496 G N -0.622 108.138 108.800 -0.067 0.000 2.505 496 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 496 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 496 G C 1.615 176.341 174.900 -0.289 0.000 1.145 496 G CA 1.368 46.300 45.100 -0.279 0.000 0.761 496 G HN 0.642 nan 8.290 nan 0.000 0.571 497 Y N -0.754 119.560 120.300 0.023 0.000 2.509 497 Y HA 0.270 4.820 4.550 -0.000 0.000 0.270 497 Y C 2.304 178.285 175.900 0.135 0.000 1.103 497 Y CA 0.622 58.751 58.100 0.048 0.000 1.278 497 Y CB 0.564 39.023 38.460 -0.001 0.000 1.087 497 Y HN 0.187 nan 8.280 nan 0.000 0.542 498 V N -4.322 115.747 119.914 0.259 0.000 3.392 498 V HA 0.596 4.716 4.120 -0.000 0.000 0.285 498 V C 0.746 176.964 176.094 0.207 0.000 1.582 498 V CA -0.316 62.173 62.300 0.316 0.000 1.034 498 V CB -0.576 31.308 31.823 0.100 0.000 0.846 498 V HN 0.020 nan 8.190 nan 0.000 0.431 499 A N 1.160 124.044 122.820 0.107 0.000 2.520 499 A HA 0.423 4.743 4.320 -0.000 0.000 0.245 499 A C 1.244 178.866 177.584 0.064 0.000 1.072 499 A CA 1.171 53.243 52.037 0.058 0.000 0.761 499 A CB -1.201 17.818 19.000 0.033 0.000 1.004 499 A HN 2.049 nan 8.150 nan 0.000 0.499 500 D N 0.398 120.847 120.400 0.083 0.000 2.811 500 D HA -0.078 4.562 4.640 -0.000 0.000 0.231 500 D C 0.133 176.472 176.300 0.066 0.000 1.157 500 D CA 1.798 55.863 54.000 0.108 0.000 0.716 500 D CB -2.143 38.691 40.800 0.057 0.000 1.077 500 D HN 0.821 nan 8.370 nan 0.000 0.428 501 K N -0.797 119.639 120.400 0.060 0.000 2.375 501 K HA 0.731 5.050 4.320 -0.000 0.000 0.249 501 K C -0.691 175.741 176.600 -0.279 0.000 0.942 501 K CA -0.741 55.457 56.287 -0.147 0.000 0.806 501 K CB 2.290 34.677 32.500 -0.188 0.000 1.227 501 K HN 0.503 nan 8.250 nan 0.000 0.430 502 E N 1.068 120.959 120.200 -0.515 0.000 2.165 502 E HA 0.506 4.855 4.350 -0.000 0.000 0.266 502 E C -1.087 175.192 176.600 -0.534 0.000 0.889 502 E CA -0.399 55.801 56.400 -0.334 0.000 0.756 502 E CB 1.029 30.640 29.700 -0.147 0.000 1.131 502 E HN 0.357 nan 8.360 nan 0.000 0.411 503 F N 0.579 120.493 119.950 -0.059 0.000 2.598 503 F HA 0.370 4.896 4.527 -0.000 0.000 0.327 503 F C -0.009 175.912 175.800 0.202 0.000 1.057 503 F CA -0.937 57.067 58.000 0.006 0.000 0.957 503 F CB 1.376 40.295 39.000 -0.136 0.000 1.278 503 F HN 0.423 nan 8.300 nan 0.000 0.484 504 H N 0.699 119.973 119.070 0.339 0.000 2.658 504 H HA 0.731 5.287 4.556 -0.000 0.000 0.337 504 H C -1.070 174.433 175.328 0.292 0.000 1.009 504 H CA -0.786 55.431 56.048 0.281 0.000 1.231 504 H CB 1.062 30.928 29.762 0.173 0.000 1.508 504 H HN 0.791 nan 8.280 nan 0.000 0.517 505 A N 5.481 128.300 122.820 -0.003 0.000 2.279 505 A HA 0.557 4.876 4.320 -0.000 0.000 0.303 505 A C -2.247 175.185 177.584 -0.253 0.000 1.108 505 A CA -1.641 50.380 52.037 -0.027 0.000 0.830 505 A CB -0.120 18.904 19.000 0.040 0.000 1.106 505 A HN 0.698 nan 8.150 nan 0.000 0.493 506 P HA 0.310 nan 4.420 nan 0.000 0.267 506 P C -0.997 176.328 177.300 0.041 0.000 1.200 506 P CA 0.223 63.307 63.100 -0.026 0.000 0.772 506 P CB 0.339 32.026 31.700 -0.022 0.000 0.855 507 L N 3.423 124.692 121.223 0.077 0.000 2.482 507 L HA 0.519 4.859 4.340 -0.000 0.000 0.269 507 L C -1.356 175.560 176.870 0.077 0.000 0.967 507 L CA -0.227 54.678 54.840 0.109 0.000 0.851 507 L CB 0.869 43.037 42.059 0.182 0.000 1.242 507 L HN 0.226 nan 8.230 nan 0.000 0.404 508 I N 5.641 126.272 120.570 0.101 0.000 2.433 508 I HA 0.482 4.652 4.170 -0.000 0.000 0.292 508 I C -0.648 175.531 176.117 0.103 0.000 1.001 508 I CA -0.545 60.821 61.300 0.110 0.000 1.119 508 I CB 1.967 40.055 38.000 0.146 0.000 1.289 508 I HN 0.488 nan 8.210 nan 0.000 0.438 509 I N 5.286 125.854 120.570 -0.004 0.000 2.433 509 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 509 I C -0.792 175.274 176.117 -0.084 0.000 1.001 509 I CA -0.408 60.818 61.300 -0.124 0.000 1.119 509 I CB 1.839 39.673 38.000 -0.276 0.000 1.289 509 I HN 0.523 nan 8.210 nan 0.000 0.438 510 D N 3.607 123.964 120.400 -0.071 0.000 2.717 510 D HA 0.183 4.823 4.640 -0.000 0.000 0.223 510 D C 0.857 177.184 176.300 0.045 0.000 1.240 510 D CA 0.143 54.178 54.000 0.058 0.000 0.801 510 D CB 2.022 42.998 40.800 0.294 0.000 1.556 510 D HN 0.651 nan 8.370 nan 0.000 0.462 511 E N 1.382 121.618 120.200 0.061 0.000 2.245 511 E HA -0.312 4.037 4.350 -0.000 0.000 0.217 511 E C 1.046 177.707 176.600 0.102 0.000 1.069 511 E CA 2.710 59.157 56.400 0.078 0.000 0.877 511 E CB -1.504 28.245 29.700 0.082 0.000 0.757 511 E HN 0.661 nan 8.360 nan 0.000 0.464 512 N N -0.073 118.712 118.700 0.141 0.000 2.671 512 N HA 0.522 5.261 4.740 -0.000 0.000 0.303 512 N C 0.927 176.506 175.510 0.116 0.000 1.351 512 N CA 0.821 53.964 53.050 0.155 0.000 0.991 512 N CB -0.282 38.312 38.487 0.179 0.000 1.307 512 N HN 1.477 nan 8.380 nan 0.000 0.512 513 G N -0.786 108.020 108.800 0.011 0.000 2.710 513 G HA2 0.135 4.095 3.960 -0.000 0.000 0.668 513 G HA3 0.135 4.095 3.960 -0.000 0.000 0.668 513 G C -0.010 174.625 174.900 -0.441 0.000 1.320 513 G CA -0.140 44.884 45.100 -0.127 0.000 0.860 513 G HN 1.726 nan 8.290 nan 0.000 0.538 514 V N -1.256 118.471 119.914 -0.311 0.000 2.775 514 V HA 0.781 4.900 4.120 -0.000 0.000 0.299 514 V C 0.249 176.038 176.094 -0.508 0.000 1.062 514 V CA -0.217 61.895 62.300 -0.313 0.000 1.063 514 V CB 1.280 33.096 31.823 -0.012 0.000 0.994 514 V HN 1.121 nan 8.190 nan 0.000 0.483 515 H N 2.431 121.543 119.070 0.070 0.000 2.759 515 H HA 0.489 5.044 4.556 -0.000 0.000 0.354 515 H C -1.177 174.209 175.328 0.096 0.000 1.074 515 H CA -0.558 55.540 56.048 0.083 0.000 1.226 515 H CB 1.946 31.742 29.762 0.057 0.000 1.648 515 H HN 0.798 nan 8.280 nan 0.000 0.529 516 E N 2.746 123.080 120.200 0.224 0.000 2.046 516 E HA 0.366 4.716 4.350 -0.000 0.000 0.279 516 E C 0.602 177.290 176.600 0.145 0.000 0.989 516 E CA -0.435 56.077 56.400 0.188 0.000 0.798 516 E CB 1.223 31.058 29.700 0.225 0.000 1.086 516 E HN 0.399 nan 8.360 nan 0.000 0.399 517 L N 0.000 121.285 121.223 0.103 0.000 2.949 517 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 517 L CA 0.000 54.882 54.840 0.070 0.000 0.813 517 L CB 0.000 42.086 42.059 0.044 0.000 0.961 517 L HN 0.000 nan 8.230 nan 0.000 0.502