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 1asp_1_A DATA FIRST_RESID 1 DATA SEQUENCE SQIRHYKWEV EYMFWAPNcN ENIVMGINGQ FPGPTIRANA GDSVVVELTN DATA SEQUENCE KLHTEGVVIH WHGILQRGTP WADGTASISQ cAINPGETFF YNFTVDNPGT DATA SEQUENCE FFYHGHLGMQ RSAGLYGSLI VDPPQGKKEP FHYDGEINLL LSDWWHQSIH DATA SEQUENCE KQEVGLSSKP IRWIGEPQTI LLNGRGQFDc SIAAKYDSNL EPcKLKGSES DATA SEQUENCE cAPYIFHVSP KKTYRIRIAS TTALAALNFA IGNHQLLVVE ADGNYVQPFY DATA SEQUENCE TSDIDIYSGE SYSVLITTDQ NPSENYWVSV GTRARHPNTP PGLTLLNYLP DATA SEQUENCE NSVSKLPTSP PPQTPAWDDF DRSKNFTYRI TAAMGSPKPP VKFNRRIFLL DATA SEQUENCE NTQNVINGYV KWAINDVSLA LPPTPYLGAM KYNLLHAFDQ NPPPEVFPED DATA SEQUENCE YDIDTPPTNE KTRIGNGVYQ FKIGEVVDVI LQNANMMKEN LSETHPWHLH DATA SEQUENCE GHDFWVLGYG DGKFSAEEES SLNLKNPPLR NTVVIFPYGW TAIRFVADNP DATA SEQUENCE GVWAFHCHIE PHLHMGMGVV FAEGVEKVGR IPTKALAcGG TAKSLINNPK DATA SEQUENCE NP 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.585 174.600 -0.025 0.000 1.055 1 S CA 0.000 58.188 58.200 -0.019 0.000 1.107 1 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 2 Q N 1.190 120.973 119.800 -0.029 0.000 2.252 2 Q HA 0.633 4.975 4.340 0.002 0.000 0.256 2 Q C -0.531 175.439 176.000 -0.049 0.000 1.020 2 Q CA -0.712 55.071 55.803 -0.034 0.000 0.913 2 Q CB 1.488 30.208 28.738 -0.030 0.000 1.286 2 Q HN 0.729 nan 8.270 nan 0.000 0.480 3 I N 2.077 122.615 120.570 -0.054 0.000 2.362 3 I HA 0.288 4.459 4.170 0.002 0.000 0.289 3 I C -0.177 175.894 176.117 -0.076 0.000 0.994 3 I CA -0.771 60.486 61.300 -0.070 0.000 1.158 3 I CB 1.013 38.981 38.000 -0.052 0.000 1.315 3 I HN 0.101 nan 8.210 nan 0.000 0.451 4 R N 5.083 125.523 120.500 -0.101 0.000 2.198 4 R HA 0.338 4.679 4.340 0.002 0.000 0.339 4 R C -0.716 175.466 176.300 -0.197 0.000 1.020 4 R CA -0.625 55.400 56.100 -0.125 0.000 0.864 4 R CB 0.725 31.022 30.300 -0.006 0.000 1.105 4 R HN 0.601 nan 8.270 nan 0.000 0.463 5 H N 2.016 120.848 119.070 -0.397 0.000 2.459 5 H HA 0.383 4.941 4.556 0.002 0.000 0.332 5 H C -0.985 173.935 175.328 -0.679 0.000 1.094 5 H CA -0.466 55.366 56.048 -0.360 0.000 1.224 5 H CB 0.794 30.438 29.762 -0.197 0.000 1.449 5 H HN 0.410 nan 8.280 nan 0.000 0.484 6 Y N 2.842 123.064 120.300 -0.130 0.000 2.446 6 Y HA 0.323 4.874 4.550 0.002 0.000 0.345 6 Y C -0.175 175.642 175.900 -0.138 0.000 0.984 6 Y CA -0.937 57.015 58.100 -0.246 0.000 1.058 6 Y CB 1.768 39.739 38.460 -0.815 0.000 1.220 6 Y HN 0.416 nan 8.280 nan 0.000 0.455 7 K N 3.140 123.608 120.400 0.115 0.000 2.579 7 K HA 0.316 4.638 4.320 0.002 0.000 0.250 7 K C -2.157 174.653 176.600 0.350 0.000 0.952 7 K CA -0.424 55.961 56.287 0.165 0.000 0.857 7 K CB 0.899 33.492 32.500 0.156 0.000 1.123 7 K HN 0.643 nan 8.250 nan 0.000 0.433 8 W N 1.879 123.235 121.300 0.093 0.000 2.936 8 W HA 0.415 5.076 4.660 0.002 0.000 0.338 8 W C -0.402 176.145 176.519 0.047 0.000 1.121 8 W CA -0.804 56.587 57.345 0.077 0.000 1.209 8 W CB 1.595 31.103 29.460 0.080 0.000 1.420 8 W HN 0.454 nan 8.180 nan 0.000 0.516 9 E N 1.358 121.685 120.200 0.213 0.000 2.199 9 E HA 0.465 4.816 4.350 0.002 0.000 0.265 9 E C -1.071 175.548 176.600 0.030 0.000 0.882 9 E CA -0.845 55.618 56.400 0.104 0.000 0.759 9 E CB 2.637 32.373 29.700 0.059 0.000 1.148 9 E HN 0.003 nan 8.360 nan 0.000 0.412 10 V N 2.818 122.739 119.914 0.013 0.000 2.439 10 V HA 0.395 4.517 4.120 0.002 0.000 0.282 10 V C -0.043 175.987 176.094 -0.107 0.000 1.039 10 V CA -0.262 62.000 62.300 -0.064 0.000 0.913 10 V CB 1.161 32.950 31.823 -0.058 0.000 0.983 10 V HN 0.742 nan 8.190 nan 0.000 0.460 11 E N 2.873 122.983 120.200 -0.150 0.000 2.375 11 E HA 0.476 4.827 4.350 0.002 0.000 0.280 11 E C -1.840 174.668 176.600 -0.153 0.000 0.972 11 E CA -0.701 55.618 56.400 -0.135 0.000 0.782 11 E CB 1.744 31.407 29.700 -0.063 0.000 1.229 11 E HN 0.514 nan 8.360 nan 0.000 0.439 12 Y N 2.706 122.974 120.300 -0.053 0.000 2.300 12 Y HA 0.455 5.006 4.550 0.002 0.000 0.328 12 Y C 0.553 176.399 175.900 -0.089 0.000 1.270 12 Y CA 0.077 58.135 58.100 -0.070 0.000 1.352 12 Y CB 1.095 39.512 38.460 -0.073 0.000 1.286 12 Y HN 0.465 nan 8.280 nan 0.000 0.536 13 M N 0.490 120.134 119.600 0.074 0.000 2.603 13 M HA 0.491 4.972 4.480 0.002 0.000 0.275 13 M C -2.046 174.232 176.300 -0.038 0.000 1.226 13 M CA -0.878 54.431 55.300 0.015 0.000 0.870 13 M CB 1.757 34.423 32.600 0.110 0.000 1.716 13 M HN 0.271 nan 8.290 nan 0.000 0.482 14 F N 1.969 122.022 119.950 0.172 0.000 2.443 14 F HA 0.565 5.093 4.527 0.002 0.000 0.353 14 F C -0.194 175.758 175.800 0.253 0.000 1.101 14 F CA 0.662 58.751 58.000 0.148 0.000 1.226 14 F CB 0.723 39.769 39.000 0.076 0.000 1.140 14 F HN 0.476 nan 8.300 nan 0.000 0.557 15 W N 1.796 123.150 121.300 0.090 0.000 3.146 15 W HA 0.616 5.278 4.660 0.002 0.000 0.319 15 W C -1.777 174.697 176.519 -0.076 0.000 1.258 15 W CA -1.357 55.968 57.345 -0.033 0.000 1.189 15 W CB 2.124 31.477 29.460 -0.178 0.000 1.412 15 W HN 0.447 nan 8.180 nan 0.000 0.567 16 A N 5.012 127.570 122.820 -0.436 0.000 2.709 16 A HA 0.502 4.824 4.320 0.002 0.000 0.332 16 A C -2.279 175.164 177.584 -0.236 0.000 1.241 16 A CA -1.254 50.633 52.037 -0.249 0.000 0.782 16 A CB 1.183 20.040 19.000 -0.239 0.000 1.109 16 A HN 0.214 nan 8.150 nan 0.000 0.472 17 P HA -0.110 nan 4.420 nan 0.000 0.220 17 P C 0.625 177.889 177.300 -0.060 0.000 1.148 17 P CA 1.405 64.436 63.100 -0.116 0.000 0.803 17 P CB 0.083 31.429 31.700 -0.589 0.000 0.782 18 N N -2.511 116.147 118.700 -0.070 0.000 2.480 18 N HA 0.166 4.907 4.740 0.002 0.000 0.281 18 N C -0.553 174.996 175.510 0.064 0.000 1.381 18 N CA -0.453 52.636 53.050 0.065 0.000 0.903 18 N CB -0.487 38.125 38.487 0.208 0.000 1.274 18 N HN -0.168 nan 8.380 nan 0.000 0.505 19 c N 0.461 119.050 118.600 -0.018 0.000 4.331 19 c HA -0.161 4.411 4.570 0.002 0.000 0.293 19 c C -0.394 173.677 174.090 -0.033 0.000 1.436 19 c CA 0.267 56.572 56.329 -0.039 0.000 1.993 19 c CB -2.720 39.788 42.510 -0.002 0.000 1.266 19 c HN 0.687 nan 8.230 nan 0.000 0.795 20 N N 0.536 119.206 118.700 -0.051 0.000 2.410 20 N HA 0.293 5.034 4.740 0.002 0.000 0.287 20 N C -0.604 174.861 175.510 -0.074 0.000 1.044 20 N CA -0.305 52.685 53.050 -0.101 0.000 0.881 20 N CB 1.534 39.862 38.487 -0.266 0.000 1.405 20 N HN 0.612 nan 8.380 nan 0.000 0.490 21 E N 2.055 122.224 120.200 -0.051 0.000 2.338 21 E HA 0.148 4.500 4.350 0.002 0.000 0.272 21 E C -0.718 175.941 176.600 0.099 0.000 1.029 21 E CA -0.066 56.348 56.400 0.023 0.000 0.872 21 E CB 0.629 30.338 29.700 0.014 0.000 1.015 21 E HN 0.450 nan 8.360 nan 0.000 0.417 22 N N 2.549 121.369 118.700 0.199 0.000 3.364 22 N HA 0.332 5.074 4.740 0.002 0.000 0.294 22 N C -1.441 174.199 175.510 0.217 0.000 1.562 22 N CA -0.587 52.598 53.050 0.226 0.000 0.862 22 N CB 1.009 39.693 38.487 0.328 0.000 1.691 22 N HN 0.528 nan 8.380 nan 0.000 0.572 23 I N -1.211 119.427 120.570 0.113 0.000 2.525 23 I HA 0.743 4.914 4.170 0.002 0.000 0.301 23 I C -0.516 175.695 176.117 0.156 0.000 0.992 23 I CA -0.687 60.610 61.300 -0.006 0.000 1.162 23 I CB 1.786 39.632 38.000 -0.257 0.000 1.332 23 I HN 0.077 nan 8.210 nan 0.000 0.458 24 V N 5.775 125.756 119.914 0.113 0.000 3.001 24 V HA 0.444 4.566 4.120 0.002 0.000 0.314 24 V C -0.390 175.745 176.094 0.068 0.000 1.099 24 V CA -0.956 61.357 62.300 0.021 0.000 0.989 24 V CB 2.376 33.940 31.823 -0.432 0.000 1.040 24 V HN 0.844 nan 8.190 nan 0.000 0.434 25 M N 3.306 122.902 119.600 -0.006 0.000 2.077 25 M HA 0.571 5.053 4.480 0.002 0.000 0.348 25 M C 0.184 176.393 176.300 -0.152 0.000 1.252 25 M CA -0.113 55.082 55.300 -0.176 0.000 1.096 25 M CB 0.450 32.894 32.600 -0.261 0.000 1.568 25 M HN 0.802 nan 8.290 nan 0.000 0.456 26 G N 5.116 113.818 108.800 -0.163 0.000 2.441 26 G HA2 0.724 4.686 3.960 0.002 0.000 0.334 26 G HA3 0.724 4.686 3.960 0.002 0.000 0.334 26 G C -1.055 173.732 174.900 -0.190 0.000 1.161 26 G CA -0.698 44.297 45.100 -0.174 0.000 0.935 26 G HN 0.739 nan 8.290 nan 0.000 0.488 27 I N 1.122 121.548 120.570 -0.240 0.000 2.406 27 I HA 0.191 4.362 4.170 0.002 0.000 0.290 27 I C -0.215 175.750 176.117 -0.255 0.000 0.999 27 I CA -0.758 60.365 61.300 -0.294 0.000 1.124 27 I CB 1.820 39.485 38.000 -0.558 0.000 1.289 27 I HN 0.460 nan 8.210 nan 0.000 0.441 28 N N 4.873 123.487 118.700 -0.144 0.000 2.696 28 N HA -0.212 4.530 4.740 0.002 0.000 0.249 28 N C 0.898 176.380 175.510 -0.047 0.000 1.090 28 N CA 1.435 54.451 53.050 -0.057 0.000 0.716 28 N CB -0.985 37.484 38.487 -0.030 0.000 1.020 28 N HN 1.149 nan 8.380 nan 0.000 0.548 29 G N -2.123 106.639 108.800 -0.063 0.000 2.159 29 G HA2 -0.323 3.638 3.960 0.002 0.000 0.256 29 G HA3 -0.323 3.638 3.960 0.002 0.000 0.256 29 G C -0.243 174.591 174.900 -0.110 0.000 0.977 29 G CA 0.494 45.570 45.100 -0.040 0.000 0.652 29 G HN 0.433 nan 8.290 nan 0.000 0.531 30 Q N -0.751 118.941 119.800 -0.180 0.000 2.245 30 Q HA 0.747 5.088 4.340 0.002 0.000 0.256 30 Q C -0.923 174.867 176.000 -0.351 0.000 0.942 30 Q CA -0.838 54.811 55.803 -0.257 0.000 0.896 30 Q CB 1.997 30.616 28.738 -0.199 0.000 1.272 30 Q HN 0.517 nan 8.270 nan 0.000 0.442 31 F N 2.815 122.354 119.950 -0.686 0.000 2.562 31 F HA 0.503 5.031 4.527 0.002 0.000 0.319 31 F C -2.505 173.014 175.800 -0.468 0.000 1.154 31 F CA -2.151 55.435 58.000 -0.689 0.000 0.931 31 F CB 1.362 39.725 39.000 -1.061 0.000 1.198 31 F HN 0.335 nan 8.300 nan 0.000 0.444 32 P HA 0.316 nan 4.420 nan 0.000 0.274 32 P C -0.087 176.937 177.300 -0.458 0.000 1.264 32 P CA -0.310 62.258 63.100 -0.886 0.000 0.795 32 P CB 0.400 31.727 31.700 -0.623 0.000 1.064 33 G N -0.211 108.376 108.800 -0.355 0.000 2.634 33 G HA2 0.351 4.313 3.960 0.002 0.000 0.255 33 G HA3 0.351 4.313 3.960 0.002 0.000 0.255 33 G C -2.418 172.406 174.900 -0.126 0.000 1.205 33 G CA -0.887 44.062 45.100 -0.251 0.000 0.884 33 G HN 0.330 nan 8.290 nan 0.000 0.549 34 P HA 0.132 nan 4.420 nan 0.000 0.266 34 P C 0.116 177.573 177.300 0.261 0.000 1.195 34 P CA 0.162 63.305 63.100 0.072 0.000 0.768 34 P CB 0.449 32.230 31.700 0.133 0.000 0.838 35 T N 3.812 118.504 114.554 0.229 0.000 2.851 35 T HA 0.297 4.648 4.350 0.002 0.000 0.298 35 T C 0.618 175.471 174.700 0.254 0.000 0.977 35 T CA -0.080 62.168 62.100 0.246 0.000 1.126 35 T CB -0.118 68.846 68.868 0.159 0.000 0.916 35 T HN 0.195 nan 8.240 nan 0.000 0.529 36 I N 3.501 124.201 120.570 0.217 0.000 2.396 36 I HA 0.479 4.650 4.170 0.002 0.000 0.292 36 I C 0.552 176.756 176.117 0.145 0.000 0.999 36 I CA -0.543 60.770 61.300 0.022 0.000 1.310 36 I CB 1.145 39.031 38.000 -0.190 0.000 1.404 36 I HN 0.394 nan 8.210 nan 0.000 0.496 37 R N 4.549 125.156 120.500 0.178 0.000 2.621 37 R HA 0.831 5.172 4.340 0.002 0.000 0.284 37 R C -1.606 174.776 176.300 0.136 0.000 0.998 37 R CA -0.317 55.873 56.100 0.150 0.000 0.895 37 R CB 2.129 32.514 30.300 0.140 0.000 1.195 37 R HN 0.810 nan 8.270 nan 0.000 0.450 38 A N 2.869 125.751 122.820 0.104 0.000 2.529 38 A HA 0.546 4.868 4.320 0.002 0.000 0.296 38 A C -1.566 176.056 177.584 0.062 0.000 1.205 38 A CA -1.002 51.077 52.037 0.069 0.000 0.671 38 A CB 1.659 20.681 19.000 0.036 0.000 1.301 38 A HN 0.814 nan 8.150 nan 0.000 0.450 39 N N -0.360 118.364 118.700 0.039 0.000 2.370 39 N HA 0.587 5.328 4.740 0.002 0.000 0.303 39 N C -0.265 175.264 175.510 0.032 0.000 1.103 39 N CA -0.324 52.749 53.050 0.039 0.000 0.848 39 N CB 1.912 40.413 38.487 0.024 0.000 1.235 39 N HN 0.947 nan 8.380 nan 0.000 0.496 40 A N 0.623 123.468 122.820 0.041 0.000 2.520 40 A HA 0.454 4.776 4.320 0.002 0.000 0.245 40 A C 1.361 178.953 177.584 0.013 0.000 1.072 40 A CA 0.867 52.924 52.037 0.033 0.000 0.761 40 A CB -0.809 18.218 19.000 0.046 0.000 1.004 40 A HN 0.976 nan 8.150 nan 0.000 0.499 41 G N 2.142 110.941 108.800 -0.001 0.000 2.218 41 G HA2 -0.156 3.805 3.960 0.002 0.000 0.216 41 G HA3 -0.156 3.805 3.960 0.002 0.000 0.216 41 G C -0.127 174.757 174.900 -0.026 0.000 0.994 41 G CA 0.186 45.279 45.100 -0.011 0.000 0.637 41 G HN 0.770 nan 8.290 nan 0.000 0.505 42 D N 1.126 121.506 120.400 -0.033 0.000 2.329 42 D HA 0.596 5.237 4.640 0.002 0.000 0.246 42 D C 0.392 176.631 176.300 -0.102 0.000 1.111 42 D CA 0.247 54.214 54.000 -0.057 0.000 0.941 42 D CB 1.382 42.153 40.800 -0.048 0.000 1.169 42 D HN 0.155 nan 8.370 nan 0.000 0.441 43 S N 0.051 115.673 115.700 -0.129 0.000 2.541 43 S HA 0.489 4.960 4.470 0.002 0.000 0.283 43 S C -0.125 174.296 174.600 -0.299 0.000 1.196 43 S CA -0.818 57.260 58.200 -0.203 0.000 1.062 43 S CB 1.422 64.531 63.200 -0.152 0.000 1.009 43 S HN 0.151 nan 8.310 nan 0.000 0.502 44 V N 3.195 122.771 119.914 -0.563 0.000 2.459 44 V HA 0.496 4.617 4.120 0.002 0.000 0.295 44 V C -0.504 175.175 176.094 -0.691 0.000 1.029 44 V CA -0.599 61.302 62.300 -0.666 0.000 0.874 44 V CB 1.786 32.951 31.823 -1.097 0.000 0.985 44 V HN 0.675 nan 8.190 nan 0.000 0.438 45 V N 5.427 125.073 119.914 -0.446 0.000 2.444 45 V HA 0.504 4.626 4.120 0.002 0.000 0.294 45 V C -0.472 175.363 176.094 -0.432 0.000 1.022 45 V CA -0.520 61.545 62.300 -0.390 0.000 0.850 45 V CB 2.041 33.622 31.823 -0.404 0.000 0.992 45 V HN 0.597 nan 8.190 nan 0.000 0.426 46 V N 5.425 125.149 119.914 -0.317 0.000 2.407 46 V HA 0.416 4.537 4.120 0.002 0.000 0.291 46 V C -0.111 175.834 176.094 -0.249 0.000 1.018 46 V CA -0.690 61.414 62.300 -0.326 0.000 0.842 46 V CB 1.795 33.431 31.823 -0.312 0.000 0.996 46 V HN 1.015 nan 8.190 nan 0.000 0.426 47 E N 5.215 125.186 120.200 -0.382 0.000 2.109 47 E HA 0.620 4.971 4.350 0.002 0.000 0.278 47 E C -1.016 175.475 176.600 -0.180 0.000 0.954 47 E CA -0.805 55.224 56.400 -0.618 0.000 0.779 47 E CB 2.284 31.427 29.700 -0.928 0.000 1.093 47 E HN 0.423 nan 8.360 nan 0.000 0.401 48 L N 2.968 124.167 121.223 -0.040 0.000 2.296 48 L HA 0.385 4.727 4.340 0.002 0.000 0.286 48 L C -0.874 176.063 176.870 0.111 0.000 1.023 48 L CA -0.021 54.924 54.840 0.175 0.000 0.812 48 L CB 2.022 44.309 42.059 0.380 0.000 1.223 48 L HN 0.552 nan 8.230 nan 0.000 0.421 49 T N 4.473 119.092 114.554 0.110 0.000 2.794 49 T HA 0.272 4.623 4.350 0.002 0.000 0.280 49 T C -0.206 174.536 174.700 0.070 0.000 0.987 49 T CA -0.287 61.857 62.100 0.073 0.000 0.993 49 T CB 0.500 69.401 68.868 0.055 0.000 0.939 49 T HN 0.652 nan 8.240 nan 0.000 0.449 50 N N 2.761 121.493 118.700 0.053 0.000 2.401 50 N HA 0.138 4.880 4.740 0.002 0.000 0.255 50 N C 0.332 175.837 175.510 -0.008 0.000 1.110 50 N CA -0.265 52.800 53.050 0.025 0.000 0.949 50 N CB 0.201 38.703 38.487 0.026 0.000 1.110 50 N HN 0.418 nan 8.380 nan 0.000 0.490 51 K N 3.908 124.283 120.400 -0.041 0.000 2.726 51 K HA 0.238 4.559 4.320 0.002 0.000 0.209 51 K C -0.484 176.011 176.600 -0.175 0.000 1.082 51 K CA -0.236 55.996 56.287 -0.092 0.000 1.081 51 K CB 0.475 32.932 32.500 -0.071 0.000 0.830 51 K HN 0.455 nan 8.250 nan 0.000 0.470 52 L N 0.207 121.359 121.223 -0.119 0.000 2.375 52 L HA 0.224 4.565 4.340 0.002 0.000 0.271 52 L C 1.241 178.064 176.870 -0.078 0.000 1.107 52 L CA -0.476 54.318 54.840 -0.077 0.000 0.806 52 L CB 0.663 42.724 42.059 0.003 0.000 1.146 52 L HN 0.251 nan 8.230 nan 0.000 0.447 53 H N -0.093 119.036 119.070 0.099 0.000 2.333 53 H HA -0.099 4.458 4.556 0.002 0.000 0.302 53 H C 1.657 177.019 175.328 0.057 0.000 1.075 53 H CA 1.985 58.073 56.048 0.066 0.000 1.348 53 H CB 0.244 30.039 29.762 0.055 0.000 1.393 53 H HN 0.791 nan 8.280 nan 0.000 0.509 54 T N -2.530 112.132 114.554 0.180 0.000 3.003 54 T HA 0.204 4.556 4.350 0.002 0.000 0.261 54 T C 0.418 175.174 174.700 0.094 0.000 1.003 54 T CA -0.324 61.845 62.100 0.115 0.000 0.917 54 T CB 0.546 69.471 68.868 0.095 0.000 1.084 54 T HN 0.139 nan 8.240 nan 0.000 0.522 55 E N 1.110 121.375 120.200 0.109 0.000 2.204 55 E HA 0.579 4.930 4.350 0.002 0.000 0.276 55 E C 0.177 176.810 176.600 0.055 0.000 0.974 55 E CA -1.046 55.411 56.400 0.095 0.000 0.815 55 E CB 1.658 31.443 29.700 0.143 0.000 1.119 55 E HN 0.423 nan 8.360 nan 0.000 0.393 56 G N 0.863 109.686 108.800 0.038 0.000 2.599 56 G HA2 0.438 4.399 3.960 0.002 0.000 0.264 56 G HA3 0.438 4.399 3.960 0.002 0.000 0.264 56 G C -0.865 174.042 174.900 0.013 0.000 1.200 56 G CA -0.249 44.861 45.100 0.016 0.000 0.896 56 G HN 0.326 nan 8.290 nan 0.000 0.536 57 V N -0.500 119.418 119.914 0.006 0.000 3.120 57 V HA 0.695 4.816 4.120 0.002 0.000 0.303 57 V C -0.800 175.312 176.094 0.030 0.000 1.238 57 V CA -0.231 62.079 62.300 0.017 0.000 1.008 57 V CB 2.291 34.122 31.823 0.013 0.000 1.064 57 V HN 1.302 nan 8.190 nan 0.000 0.434 58 V N 3.017 122.964 119.914 0.054 0.000 3.147 58 V HA 0.734 4.856 4.120 0.002 0.000 0.306 58 V C -1.148 174.969 176.094 0.038 0.000 1.209 58 V CA -0.756 61.605 62.300 0.101 0.000 1.023 58 V CB 2.157 34.026 31.823 0.076 0.000 1.059 58 V HN 0.743 nan 8.190 nan 0.000 0.435 59 I N 2.034 122.536 120.570 -0.114 0.000 2.466 59 I HA 0.503 4.674 4.170 0.002 0.000 0.289 59 I C -1.148 174.426 176.117 -0.905 0.000 1.026 59 I CA -0.475 60.532 61.300 -0.488 0.000 1.078 59 I CB 2.008 39.572 38.000 -0.727 0.000 1.249 59 I HN 0.969 nan 8.210 nan 0.000 0.429 60 H N 5.421 124.009 119.070 -0.802 0.000 2.458 60 H HA 0.403 4.960 4.556 0.003 0.000 0.330 60 H C -1.681 173.067 175.328 -0.968 0.000 1.111 60 H CA -0.561 54.994 56.048 -0.821 0.000 1.245 60 H CB 0.908 30.379 29.762 -0.485 0.000 1.456 60 H HN 0.366 nan 8.280 nan 0.000 0.488 61 W N 5.157 125.785 121.300 -1.120 0.000 2.288 61 W HA 0.212 4.873 4.660 0.002 0.000 0.325 61 W C -0.154 175.761 176.519 -1.007 0.000 1.019 61 W CA -0.896 55.944 57.345 -0.842 0.000 1.403 61 W CB 0.002 28.945 29.460 -0.861 0.000 1.226 61 W HN 0.672 nan 8.180 nan 0.000 0.391 62 H N 2.013 120.628 119.070 -0.758 0.000 2.955 62 H HA 0.374 4.931 4.556 0.002 0.000 0.290 62 H C 1.360 176.448 175.328 -0.400 0.000 1.047 62 H CA 1.253 56.937 56.048 -0.606 0.000 1.484 62 H CB 0.450 29.666 29.762 -0.910 0.000 1.501 62 H HN 0.831 nan 8.280 nan 0.000 0.521 63 G N 4.728 113.464 108.800 -0.107 0.000 2.176 63 G HA2 -0.224 3.737 3.960 0.002 0.000 0.232 63 G HA3 -0.224 3.737 3.960 0.002 0.000 0.232 63 G C -0.159 174.392 174.900 -0.582 0.000 0.986 63 G CA 0.016 45.029 45.100 -0.146 0.000 0.643 63 G HN 0.508 nan 8.290 nan 0.000 0.522 64 I N 1.552 121.771 120.570 -0.584 0.000 2.396 64 I HA 0.382 4.553 4.170 0.002 0.000 0.292 64 I C 1.774 177.622 176.117 -0.448 0.000 0.999 64 I CA -0.777 60.163 61.300 -0.601 0.000 1.310 64 I CB 1.200 38.801 38.000 -0.664 0.000 1.404 64 I HN 0.003 nan 8.210 nan 0.000 0.496 65 L N 4.567 125.550 121.223 -0.400 0.000 2.492 65 L HA 0.001 4.343 4.340 0.002 0.000 0.223 65 L C 0.579 177.247 176.870 -0.337 0.000 1.132 65 L CA 0.205 54.800 54.840 -0.409 0.000 0.850 65 L CB -0.263 41.565 42.059 -0.385 0.000 0.966 65 L HN 0.585 nan 8.230 nan 0.000 0.454 66 Q N 0.371 120.036 119.800 -0.225 0.000 2.457 66 Q HA -0.237 4.105 4.340 0.002 0.000 0.283 66 Q C 0.274 176.273 176.000 -0.002 0.000 1.234 66 Q CA 0.708 56.455 55.803 -0.093 0.000 0.877 66 Q CB -1.711 27.073 28.738 0.077 0.000 1.250 66 Q HN 0.454 nan 8.270 nan 0.000 0.481 67 R N 0.182 120.635 120.500 -0.078 0.000 2.402 67 R HA 0.237 4.578 4.340 0.002 0.000 0.331 67 R C 1.491 177.790 176.300 -0.002 0.000 1.040 67 R CA 1.478 57.553 56.100 -0.043 0.000 0.980 67 R CB -0.300 29.948 30.300 -0.087 0.000 0.967 67 R HN 0.484 nan 8.270 nan 0.000 0.440 68 G N 2.483 111.311 108.800 0.047 0.000 2.253 68 G HA2 -0.324 3.638 3.960 0.002 0.000 0.251 68 G HA3 -0.324 3.638 3.960 0.002 0.000 0.251 68 G C 0.356 175.270 174.900 0.024 0.000 0.998 68 G CA 0.571 45.705 45.100 0.056 0.000 0.621 68 G HN 0.677 nan 8.290 nan 0.000 0.524 69 T N -1.259 113.218 114.554 -0.128 0.000 3.416 69 T HA 0.614 4.966 4.350 0.002 0.000 0.245 69 T C -0.855 173.484 174.700 -0.602 0.000 1.081 69 T CA -0.399 61.367 62.100 -0.556 0.000 1.190 69 T CB 1.707 70.193 68.868 -0.638 0.000 1.068 69 T HN 0.225 nan 8.240 nan 0.000 0.580 70 P HA -0.140 nan 4.420 nan 0.000 0.217 70 P C 1.697 178.911 177.300 -0.143 0.000 1.148 70 P CA 1.081 64.073 63.100 -0.180 0.000 0.828 70 P CB -0.258 31.307 31.700 -0.226 0.000 0.783 71 W N 0.058 121.405 121.300 0.079 0.000 2.538 71 W HA 0.200 4.861 4.660 0.002 0.000 0.254 71 W C 1.058 177.740 176.519 0.271 0.000 1.249 71 W CA 0.601 58.030 57.345 0.141 0.000 1.253 71 W CB -1.504 28.053 29.460 0.162 0.000 1.130 71 W HN -0.042 nan 8.180 nan 0.000 0.618 72 A N 0.677 123.446 122.820 -0.085 0.000 2.423 72 A HA 0.052 4.373 4.320 0.002 0.000 0.246 72 A C 1.403 179.204 177.584 0.361 0.000 1.278 72 A CA 0.619 52.802 52.037 0.244 0.000 0.903 72 A CB -0.587 18.256 19.000 -0.260 0.000 0.997 72 A HN 0.096 nan 8.150 nan 0.000 0.510 73 D N 0.274 120.813 120.400 0.232 0.000 2.219 73 D HA 0.067 4.708 4.640 0.002 0.000 0.205 73 D C 1.396 177.828 176.300 0.221 0.000 0.970 73 D CA 1.665 55.808 54.000 0.237 0.000 0.851 73 D CB -0.096 40.869 40.800 0.275 0.000 0.943 73 D HN 0.617 nan 8.370 nan 0.000 0.488 74 G N 0.337 109.286 108.800 0.249 0.000 2.204 74 G HA2 -0.201 3.760 3.960 0.002 0.000 0.244 74 G HA3 -0.201 3.760 3.960 0.002 0.000 0.244 74 G C 0.085 174.999 174.900 0.024 0.000 1.062 74 G CA 0.506 45.690 45.100 0.140 0.000 0.798 74 G HN 0.547 nan 8.290 nan 0.000 0.496 75 T N -1.823 112.731 114.554 -0.000 0.000 2.809 75 T HA 0.794 5.146 4.350 0.002 0.000 0.296 75 T C 0.436 175.131 174.700 -0.008 0.000 1.015 75 T CA 0.287 62.315 62.100 -0.120 0.000 0.954 75 T CB 1.924 70.660 68.868 -0.221 0.000 0.950 75 T HN 1.753 nan 8.240 nan 0.000 0.450 76 A N 2.828 125.665 122.820 0.029 0.000 2.511 76 A HA 0.510 4.832 4.320 0.002 0.000 0.242 76 A C 1.335 178.921 177.584 0.003 0.000 1.069 76 A CA 0.113 52.158 52.037 0.013 0.000 0.763 76 A CB -0.745 18.267 19.000 0.020 0.000 1.001 76 A HN 1.648 nan 8.150 nan 0.000 0.498 77 S N 0.260 115.946 115.700 -0.023 0.000 2.981 77 S HA -0.207 4.265 4.470 0.002 0.000 0.274 77 S C 0.865 175.453 174.600 -0.019 0.000 1.297 77 S CA 1.677 59.841 58.200 -0.060 0.000 1.266 77 S CB -1.986 61.166 63.200 -0.080 0.000 1.542 77 S HN 0.729 nan 8.310 nan 0.000 0.674 78 I N 0.292 120.888 120.570 0.043 0.000 3.632 78 I HA 0.047 4.219 4.170 0.002 0.000 0.246 78 I C 2.112 178.251 176.117 0.035 0.000 1.125 78 I CA 0.816 62.186 61.300 0.117 0.000 1.519 78 I CB -0.283 37.753 38.000 0.060 0.000 1.555 78 I HN 0.324 nan 8.210 nan 0.000 0.452 79 S N 0.281 115.985 115.700 0.008 0.000 2.425 79 S HA 0.043 4.515 4.470 0.002 0.000 0.225 79 S C 0.619 175.271 174.600 0.085 0.000 1.024 79 S CA -0.087 58.130 58.200 0.028 0.000 0.951 79 S CB -0.237 62.995 63.200 0.053 0.000 0.796 79 S HN 0.583 nan 8.310 nan 0.000 0.498 80 Q N -1.105 118.724 119.800 0.050 0.000 2.534 80 Q HA 0.569 4.910 4.340 0.002 0.000 0.290 80 Q C -1.517 174.464 176.000 -0.033 0.000 0.991 80 Q CA -1.137 54.678 55.803 0.021 0.000 0.783 80 Q CB 0.847 29.573 28.738 -0.020 0.000 1.470 80 Q HN 0.158 nan 8.270 nan 0.000 0.406 81 c N 1.743 120.311 118.600 -0.053 0.000 2.644 81 c HA 0.656 5.227 4.570 0.002 0.000 0.417 81 c C 1.073 175.090 174.090 -0.122 0.000 1.304 81 c CA 0.100 56.388 56.329 -0.069 0.000 2.035 81 c CB -0.195 42.282 42.510 -0.056 0.000 2.673 81 c HN 0.800 nan 8.230 nan 0.000 0.602 82 A N 3.497 126.263 122.820 -0.089 0.000 2.448 82 A HA 0.482 4.803 4.320 0.002 0.000 0.239 82 A C -0.060 177.452 177.584 -0.120 0.000 1.080 82 A CA -0.153 51.827 52.037 -0.095 0.000 0.779 82 A CB 0.050 19.025 19.000 -0.041 0.000 1.026 82 A HN 0.788 nan 8.150 nan 0.000 0.499 83 I N 2.055 122.551 120.570 -0.123 0.000 2.371 83 I HA 0.108 4.279 4.170 0.002 0.000 0.290 83 I C 0.036 176.140 176.117 -0.022 0.000 1.028 83 I CA -0.447 60.800 61.300 -0.089 0.000 1.345 83 I CB 0.505 38.468 38.000 -0.061 0.000 1.407 83 I HN 0.519 nan 8.210 nan 0.000 0.501 84 N N 7.480 126.177 118.700 -0.005 0.000 2.467 84 N HA 0.268 5.009 4.740 0.002 0.000 0.262 84 N C -2.434 173.088 175.510 0.021 0.000 1.234 84 N CA -1.721 51.335 53.050 0.010 0.000 0.952 84 N CB 0.127 38.622 38.487 0.014 0.000 1.158 84 N HN 0.235 nan 8.380 nan 0.000 0.463 85 P HA 0.015 nan 4.420 nan 0.000 0.263 85 P C 0.765 178.080 177.300 0.025 0.000 1.175 85 P CA 0.907 64.021 63.100 0.023 0.000 0.761 85 P CB 0.256 31.977 31.700 0.035 0.000 0.794 86 G N 1.463 110.275 108.800 0.020 0.000 2.184 86 G HA2 -0.261 3.701 3.960 0.002 0.000 0.264 86 G HA3 -0.261 3.701 3.960 0.002 0.000 0.264 86 G C 0.101 175.023 174.900 0.036 0.000 0.975 86 G CA -0.079 45.037 45.100 0.026 0.000 0.642 86 G HN 0.558 nan 8.290 nan 0.000 0.536 87 E N 0.027 120.252 120.200 0.042 0.000 2.250 87 E HA 0.601 4.952 4.350 0.002 0.000 0.269 87 E C -0.451 176.191 176.600 0.069 0.000 1.018 87 E CA -0.274 56.161 56.400 0.058 0.000 0.873 87 E CB 1.182 30.919 29.700 0.062 0.000 1.134 87 E HN 0.117 nan 8.360 nan 0.000 0.403 88 T N 1.613 116.215 114.554 0.080 0.000 2.824 88 T HA 0.450 4.801 4.350 0.002 0.000 0.282 88 T C -1.331 173.426 174.700 0.095 0.000 0.993 88 T CA -0.522 61.607 62.100 0.048 0.000 0.967 88 T CB 0.489 69.354 68.868 -0.005 0.000 0.960 88 T HN 0.265 nan 8.240 nan 0.000 0.441 89 F N 2.404 122.273 119.950 -0.135 0.000 2.563 89 F HA 0.721 5.250 4.527 0.003 0.000 0.316 89 F C -1.753 173.884 175.800 -0.272 0.000 1.076 89 F CA -1.709 56.206 58.000 -0.143 0.000 0.921 89 F CB 1.248 40.139 39.000 -0.181 0.000 1.209 89 F HN 0.484 nan 8.300 nan 0.000 0.462 90 F N 5.098 124.625 119.950 -0.706 0.000 2.385 90 F HA 0.359 4.888 4.527 0.002 0.000 0.360 90 F C -1.064 174.508 175.800 -0.379 0.000 1.122 90 F CA -0.480 57.271 58.000 -0.415 0.000 1.090 90 F CB 0.663 39.464 39.000 -0.333 0.000 1.150 90 F HN 0.274 nan 8.300 nan 0.000 0.472 91 Y N 3.260 123.667 120.300 0.179 0.000 2.404 91 Y HA 0.336 4.887 4.550 0.002 0.000 0.344 91 Y C -0.187 175.806 175.900 0.155 0.000 0.970 91 Y CA -0.724 57.590 58.100 0.357 0.000 1.180 91 Y CB 0.463 39.221 38.460 0.497 0.000 1.138 91 Y HN 0.397 nan 8.280 nan 0.000 0.510 92 N N 5.553 124.466 118.700 0.354 0.000 2.442 92 N HA 0.447 5.188 4.740 0.002 0.000 0.274 92 N C -1.209 174.302 175.510 0.002 0.000 1.002 92 N CA -0.539 52.559 53.050 0.079 0.000 0.910 92 N CB 1.403 39.994 38.487 0.173 0.000 1.244 92 N HN 0.482 nan 8.380 nan 0.000 0.492 93 F N -1.794 118.025 119.950 -0.218 0.000 2.662 93 F HA 0.685 5.213 4.527 0.003 0.000 0.312 93 F C -0.364 175.302 175.800 -0.223 0.000 1.113 93 F CA -0.955 56.883 58.000 -0.270 0.000 0.951 93 F CB 0.934 39.703 39.000 -0.384 0.000 1.344 93 F HN -0.023 nan 8.300 nan 0.000 0.462 94 T N 1.670 116.247 114.554 0.038 0.000 2.929 94 T HA 0.602 4.953 4.350 0.002 0.000 0.284 94 T C -0.557 174.170 174.700 0.045 0.000 1.014 94 T CA -0.660 61.422 62.100 -0.029 0.000 1.051 94 T CB 1.629 70.478 68.868 -0.033 0.000 1.028 94 T HN 0.764 nan 8.240 nan 0.000 0.485 95 V N 0.618 120.526 119.914 -0.011 0.000 2.350 95 V HA 0.438 4.559 4.120 0.002 0.000 0.276 95 V C 0.114 176.194 176.094 -0.023 0.000 1.028 95 V CA -0.597 61.697 62.300 -0.009 0.000 0.860 95 V CB 1.207 33.038 31.823 0.014 0.000 0.990 95 V HN 0.769 nan 8.190 nan 0.000 0.453 96 D N 3.081 123.453 120.400 -0.047 0.000 2.240 96 D HA 0.032 4.674 4.640 0.002 0.000 0.206 96 D C 0.454 176.754 176.300 -0.000 0.000 0.963 96 D CA 1.148 55.128 54.000 -0.034 0.000 0.863 96 D CB 0.437 41.199 40.800 -0.063 0.000 0.973 96 D HN 0.850 nan 8.370 nan 0.000 0.501 97 N N 0.629 119.344 118.700 0.024 0.000 2.331 97 N HA 0.236 4.978 4.740 0.002 0.000 0.280 97 N C -3.174 172.429 175.510 0.155 0.000 1.155 97 N CA -1.361 51.732 53.050 0.071 0.000 0.822 97 N CB 2.472 40.988 38.487 0.049 0.000 1.619 97 N HN -0.249 nan 8.380 nan 0.000 0.476 98 P HA 0.314 nan 4.420 nan 0.000 0.269 98 P C 0.130 177.428 177.300 -0.003 0.000 1.209 98 P CA 0.608 63.763 63.100 0.092 0.000 0.776 98 P CB 0.768 32.513 31.700 0.075 0.000 0.876 99 G N 0.446 109.163 108.800 -0.139 0.000 2.339 99 G HA2 0.214 4.175 3.960 0.002 0.000 0.302 99 G HA3 0.214 4.175 3.960 0.002 0.000 0.302 99 G C -1.420 172.983 174.900 -0.828 0.000 1.425 99 G CA -0.697 44.054 45.100 -0.582 0.000 0.899 99 G HN 0.416 nan 8.290 nan 0.000 0.619 100 T N 1.622 115.680 114.554 -0.827 0.000 2.723 100 T HA 0.626 4.977 4.350 0.002 0.000 0.297 100 T C -0.549 173.748 174.700 -0.672 0.000 0.925 100 T CA 0.344 62.119 62.100 -0.542 0.000 1.030 100 T CB -0.057 68.615 68.868 -0.328 0.000 0.905 100 T HN 0.348 nan 8.240 nan 0.000 0.502 101 F N 2.236 122.233 119.950 0.078 0.000 2.746 101 F HA 0.864 5.393 4.527 0.002 0.000 0.378 101 F C -0.222 175.748 175.800 0.283 0.000 1.165 101 F CA -1.601 56.466 58.000 0.111 0.000 1.089 101 F CB 1.123 40.136 39.000 0.022 0.000 1.439 101 F HN 0.556 nan 8.300 nan 0.000 0.516 102 F N -1.367 118.712 119.950 0.216 0.000 2.858 102 F HA 0.648 5.176 4.527 0.002 0.000 0.319 102 F C -1.912 174.004 175.800 0.193 0.000 1.166 102 F CA -2.155 55.911 58.000 0.110 0.000 0.899 102 F CB 0.875 39.840 39.000 -0.059 0.000 1.332 102 F HN 0.436 nan 8.300 nan 0.000 0.461 103 Y N -0.431 120.013 120.300 0.241 0.000 2.545 103 Y HA 0.899 5.451 4.550 0.002 0.000 0.348 103 Y C -1.041 174.927 175.900 0.114 0.000 1.002 103 Y CA -1.285 56.792 58.100 -0.037 0.000 1.039 103 Y CB 1.567 40.001 38.460 -0.044 0.000 1.271 103 Y HN 1.002 nan 8.280 nan 0.000 0.467 104 H N -0.726 118.413 119.070 0.114 0.000 3.017 104 H HA 0.711 5.268 4.556 0.002 0.000 0.346 104 H C -0.381 175.012 175.328 0.108 0.000 1.286 104 H CA -1.247 54.898 56.048 0.162 0.000 1.120 104 H CB 1.088 31.006 29.762 0.261 0.000 1.860 104 H HN 1.098 nan 8.280 nan 0.000 0.542 105 G N -0.131 108.825 108.800 0.260 0.000 2.441 105 G HA2 0.245 4.206 3.960 0.002 0.000 0.243 105 G HA3 0.245 4.206 3.960 0.002 0.000 0.243 105 G C -0.346 174.699 174.900 0.242 0.000 1.281 105 G CA -0.195 44.999 45.100 0.158 0.000 0.854 105 G HN 0.874 nan 8.290 nan 0.000 0.560 106 H N 1.878 120.994 119.070 0.077 0.000 2.767 106 H HA 0.255 4.812 4.556 0.002 0.000 0.235 106 H C -1.162 174.167 175.328 0.003 0.000 1.256 106 H CA -0.361 55.722 56.048 0.059 0.000 0.957 106 H CB 0.671 30.463 29.762 0.051 0.000 2.117 106 H HN 0.306 nan 8.280 nan 0.000 0.602 107 L N 0.262 121.519 121.223 0.058 0.000 2.439 107 L HA 0.540 4.881 4.340 0.002 0.000 0.270 107 L C 0.714 177.579 176.870 -0.008 0.000 0.972 107 L CA 0.787 55.642 54.840 0.026 0.000 0.836 107 L CB 1.231 43.306 42.059 0.027 0.000 1.255 107 L HN 0.448 nan 8.230 nan 0.000 0.404 108 G N 4.904 113.693 108.800 -0.017 0.000 2.596 108 G HA2 -0.327 3.635 3.960 0.002 0.000 0.295 108 G HA3 -0.327 3.635 3.960 0.002 0.000 0.295 108 G C 0.400 175.278 174.900 -0.036 0.000 1.240 108 G CA 0.522 45.618 45.100 -0.006 0.000 0.985 108 G HN 0.671 nan 8.290 nan 0.000 0.555 109 M N 1.019 120.575 119.600 -0.074 0.000 2.866 109 M HA 0.230 4.711 4.480 0.002 0.000 0.319 109 M C 1.812 178.053 176.300 -0.099 0.000 1.244 109 M CA 0.004 55.228 55.300 -0.127 0.000 0.974 109 M CB 0.828 33.296 32.600 -0.221 0.000 1.291 109 M HN 0.597 nan 8.290 nan 0.000 0.513 110 Q N 0.907 120.675 119.800 -0.052 0.000 2.170 110 Q HA -0.170 4.172 4.340 0.002 0.000 0.203 110 Q C 2.144 178.162 176.000 0.031 0.000 0.976 110 Q CA 1.418 57.211 55.803 -0.016 0.000 0.858 110 Q CB -0.060 28.671 28.738 -0.011 0.000 0.907 110 Q HN 0.632 nan 8.270 nan 0.000 0.433 111 R N 0.020 120.559 120.500 0.065 0.000 2.075 111 R HA -0.042 4.299 4.340 0.002 0.000 0.232 111 R C 2.049 178.502 176.300 0.256 0.000 1.126 111 R CA 1.682 57.891 56.100 0.182 0.000 0.963 111 R CB -0.507 29.899 30.300 0.176 0.000 0.858 111 R HN -0.039 nan 8.270 nan 0.000 0.435 112 S N 1.522 117.303 115.700 0.135 0.000 2.419 112 S HA -0.100 4.371 4.470 0.002 0.000 0.235 112 S C 2.081 176.821 174.600 0.234 0.000 1.019 112 S CA 1.184 59.485 58.200 0.169 0.000 0.982 112 S CB -0.186 62.975 63.200 -0.064 0.000 0.789 112 S HN 0.593 nan 8.310 nan 0.000 0.490 113 A N 0.488 123.401 122.820 0.155 0.000 2.209 113 A HA 0.446 4.768 4.320 0.002 0.000 0.212 113 A C 1.746 179.480 177.584 0.251 0.000 1.158 113 A CA 1.029 53.186 52.037 0.200 0.000 0.742 113 A CB -0.614 18.478 19.000 0.154 0.000 0.790 113 A HN 0.923 nan 8.150 nan 0.000 0.472 114 G N -2.307 106.608 108.800 0.192 0.000 2.205 114 G HA2 -0.088 3.873 3.960 0.002 0.000 0.180 114 G HA3 -0.088 3.873 3.960 0.002 0.000 0.180 114 G C -0.015 174.614 174.900 -0.451 0.000 1.004 114 G CA -0.012 45.069 45.100 -0.031 0.000 0.670 114 G HN 0.745 nan 8.290 nan 0.000 0.496 115 L N 2.797 123.889 121.223 -0.219 0.000 2.404 115 L HA 0.688 5.030 4.340 0.002 0.000 0.277 115 L C -0.164 176.659 176.870 -0.079 0.000 1.184 115 L CA -1.263 53.476 54.840 -0.169 0.000 1.013 115 L CB -1.291 40.743 42.059 -0.041 0.000 1.318 115 L HN 0.442 nan 8.230 nan 0.000 0.435 116 Y N 1.540 121.793 120.300 -0.079 0.000 2.741 116 Y HA 0.906 5.457 4.550 0.002 0.000 0.339 116 Y C -0.139 175.405 175.900 -0.593 0.000 1.226 116 Y CA -1.066 56.868 58.100 -0.277 0.000 1.072 116 Y CB 0.596 39.001 38.460 -0.092 0.000 1.331 116 Y HN 0.435 nan 8.280 nan 0.000 0.453 117 G N -0.148 108.220 108.800 -0.720 0.000 2.428 117 G HA2 0.523 4.485 3.960 0.002 0.000 0.304 117 G HA3 0.523 4.485 3.960 0.002 0.000 0.304 117 G C -1.855 172.819 174.900 -0.377 0.000 1.303 117 G CA -0.850 43.899 45.100 -0.585 0.000 0.825 117 G HN 0.706 nan 8.290 nan 0.000 0.484 118 S N -0.976 114.714 115.700 -0.016 0.000 2.608 118 S HA 0.754 5.226 4.470 0.002 0.000 0.291 118 S C -0.637 174.170 174.600 0.346 0.000 1.146 118 S CA -0.506 57.779 58.200 0.142 0.000 1.043 118 S CB 1.518 64.761 63.200 0.071 0.000 1.037 118 S HN 0.689 nan 8.310 nan 0.000 0.520 119 L N 3.116 124.549 121.223 0.349 0.000 2.457 119 L HA 0.593 4.934 4.340 0.002 0.000 0.266 119 L C -1.728 175.321 176.870 0.298 0.000 0.979 119 L CA -0.336 54.719 54.840 0.359 0.000 0.857 119 L CB 0.447 42.771 42.059 0.442 0.000 1.213 119 L HN 0.617 nan 8.230 nan 0.000 0.418 120 I N 4.518 125.215 120.570 0.211 0.000 2.493 120 I HA 0.517 4.688 4.170 0.002 0.000 0.298 120 I C -0.740 175.481 176.117 0.174 0.000 0.998 120 I CA -0.938 60.454 61.300 0.153 0.000 1.137 120 I CB 2.278 40.327 38.000 0.082 0.000 1.310 120 I HN 0.184 nan 8.210 nan 0.000 0.445 121 V N 4.464 124.480 119.914 0.171 0.000 2.483 121 V HA 0.327 4.448 4.120 0.002 0.000 0.297 121 V C -0.505 175.652 176.094 0.106 0.000 1.027 121 V CA -0.821 61.580 62.300 0.168 0.000 0.855 121 V CB 1.656 33.646 31.823 0.279 0.000 0.995 121 V HN 0.615 nan 8.190 nan 0.000 0.424 122 D N 5.602 126.054 120.400 0.087 0.000 2.387 122 D HA 0.354 4.995 4.640 0.002 0.000 0.251 122 D C -2.298 174.040 176.300 0.064 0.000 1.141 122 D CA -1.095 52.948 54.000 0.072 0.000 0.987 122 D CB 1.407 42.244 40.800 0.062 0.000 1.116 122 D HN 0.278 nan 8.370 nan 0.000 0.491 123 P HA 0.041 nan 4.420 nan 0.000 0.269 123 P C -2.549 174.770 177.300 0.032 0.000 1.211 123 P CA -0.733 62.394 63.100 0.046 0.000 0.781 123 P CB -0.716 30.999 31.700 0.025 0.000 0.877 124 P HA -0.045 nan 4.420 nan 0.000 0.266 124 P C 0.156 177.461 177.300 0.009 0.000 1.186 124 P CA 0.451 63.561 63.100 0.017 0.000 0.767 124 P CB 0.100 31.809 31.700 0.015 0.000 0.820 125 Q N 1.952 121.756 119.800 0.005 0.000 2.269 125 Q HA 0.122 4.464 4.340 0.002 0.000 0.300 125 Q C 1.140 177.138 176.000 -0.004 0.000 1.070 125 Q CA 1.350 57.153 55.803 0.001 0.000 0.957 125 Q CB -0.556 28.182 28.738 -0.000 0.000 1.131 125 Q HN 0.821 nan 8.270 nan 0.000 0.377 126 G N 3.685 112.480 108.800 -0.009 0.000 2.397 126 G HA2 -0.295 3.667 3.960 0.002 0.000 0.211 126 G HA3 -0.295 3.667 3.960 0.002 0.000 0.211 126 G C 0.090 174.979 174.900 -0.017 0.000 1.077 126 G CA 0.207 45.300 45.100 -0.012 0.000 0.649 126 G HN 0.672 nan 8.290 nan 0.000 0.511 127 K N 1.368 121.759 120.400 -0.014 0.000 2.107 127 K HA 0.634 4.955 4.320 0.002 0.000 0.251 127 K C 0.057 176.637 176.600 -0.034 0.000 1.012 127 K CA -0.268 56.007 56.287 -0.020 0.000 0.920 127 K CB 0.498 32.994 32.500 -0.007 0.000 1.033 127 K HN 0.236 nan 8.250 nan 0.000 0.478 128 K N 1.497 121.864 120.400 -0.055 0.000 2.444 128 K HA 0.164 4.485 4.320 0.002 0.000 0.252 128 K C -1.162 175.361 176.600 -0.129 0.000 0.993 128 K CA -1.027 55.205 56.287 -0.091 0.000 0.847 128 K CB 1.684 34.123 32.500 -0.102 0.000 1.340 128 K HN 0.552 nan 8.250 nan 0.000 0.446 129 E N 2.660 122.738 120.200 -0.204 0.000 2.392 129 E HA 0.034 4.385 4.350 0.002 0.000 0.264 129 E C -1.586 174.740 176.600 -0.456 0.000 1.024 129 E CA -1.383 54.794 56.400 -0.372 0.000 0.903 129 E CB 0.595 29.994 29.700 -0.503 0.000 0.963 129 E HN 0.204 nan 8.360 nan 0.000 0.432 130 P HA -0.081 nan 4.420 nan 0.000 0.234 130 P C -0.728 176.495 177.300 -0.129 0.000 1.162 130 P CA 0.819 63.732 63.100 -0.312 0.000 0.759 130 P CB -0.337 31.171 31.700 -0.321 0.000 0.813 131 F N -2.494 117.476 119.950 0.034 0.000 2.619 131 F HA 0.614 5.142 4.527 0.002 0.000 0.308 131 F C -0.404 175.481 175.800 0.142 0.000 1.097 131 F CA -2.119 55.939 58.000 0.095 0.000 0.953 131 F CB 0.520 39.585 39.000 0.109 0.000 1.287 131 F HN -0.287 nan 8.300 nan 0.000 0.446 132 H N 1.807 121.005 119.070 0.214 0.000 2.473 132 H HA 0.670 5.227 4.556 0.002 0.000 0.327 132 H C -1.485 173.962 175.328 0.199 0.000 1.105 132 H CA -0.737 55.335 56.048 0.040 0.000 1.280 132 H CB 1.004 30.759 29.762 -0.012 0.000 1.450 132 H HN 0.655 nan 8.280 nan 0.000 0.492 133 Y N 1.142 121.054 120.300 -0.647 0.000 2.597 133 Y HA 0.323 4.874 4.550 0.002 0.000 0.340 133 Y C -0.298 175.216 175.900 -0.643 0.000 1.097 133 Y CA -1.120 56.663 58.100 -0.529 0.000 1.037 133 Y CB 0.826 39.188 38.460 -0.163 0.000 1.305 133 Y HN 0.470 nan 8.280 nan 0.000 0.463 134 D N 1.033 121.224 120.400 -0.347 0.000 2.259 134 D HA 0.198 4.839 4.640 0.002 0.000 0.216 134 D C 0.667 176.917 176.300 -0.084 0.000 0.961 134 D CA 1.236 55.079 54.000 -0.262 0.000 0.878 134 D CB 0.384 41.011 40.800 -0.288 0.000 1.009 134 D HN 0.787 nan 8.370 nan 0.000 0.490 135 G N -0.187 108.587 108.800 -0.044 0.000 2.685 135 G HA2 0.500 4.461 3.960 0.002 0.000 0.298 135 G HA3 0.500 4.461 3.960 0.002 0.000 0.298 135 G C -1.320 173.786 174.900 0.343 0.000 1.277 135 G CA -0.389 44.880 45.100 0.281 0.000 0.986 135 G HN -0.064 nan 8.290 nan 0.000 0.487 136 E N -0.630 119.715 120.200 0.242 0.000 2.272 136 E HA 0.585 4.936 4.350 0.002 0.000 0.269 136 E C -1.380 175.215 176.600 -0.008 0.000 0.877 136 E CA -0.659 55.789 56.400 0.081 0.000 0.755 136 E CB 2.188 31.945 29.700 0.094 0.000 1.192 136 E HN 0.318 nan 8.360 nan 0.000 0.422 137 I N 3.565 124.047 120.570 -0.147 0.000 2.499 137 I HA 0.296 4.468 4.170 0.002 0.000 0.288 137 I C -0.433 175.508 176.117 -0.294 0.000 1.048 137 I CA -0.675 60.453 61.300 -0.288 0.000 1.062 137 I CB 1.901 39.531 38.000 -0.616 0.000 1.238 137 I HN 0.419 nan 8.210 nan 0.000 0.426 138 N N 6.407 124.972 118.700 -0.225 0.000 2.399 138 N HA 0.618 5.360 4.740 0.002 0.000 0.295 138 N C -1.809 173.539 175.510 -0.271 0.000 1.048 138 N CA -0.521 52.401 53.050 -0.214 0.000 0.886 138 N CB 2.070 40.478 38.487 -0.131 0.000 1.185 138 N HN 0.389 nan 8.380 nan 0.000 0.487 139 L N 4.001 125.072 121.223 -0.253 0.000 2.476 139 L HA 0.485 4.826 4.340 0.002 0.000 0.269 139 L C -1.807 174.916 176.870 -0.246 0.000 0.965 139 L CA -0.620 54.085 54.840 -0.225 0.000 0.845 139 L CB 1.610 43.593 42.059 -0.126 0.000 1.259 139 L HN 0.460 nan 8.230 nan 0.000 0.403 140 L N 5.607 126.676 121.223 -0.256 0.000 2.296 140 L HA 0.619 4.960 4.340 0.002 0.000 0.286 140 L C -1.207 175.494 176.870 -0.281 0.000 1.023 140 L CA -0.115 54.540 54.840 -0.309 0.000 0.812 140 L CB 1.339 43.222 42.059 -0.294 0.000 1.223 140 L HN 0.557 nan 8.230 nan 0.000 0.421 141 L N 4.792 125.824 121.223 -0.318 0.000 2.309 141 L HA 0.748 5.089 4.340 0.002 0.000 0.282 141 L C 0.092 176.780 176.870 -0.305 0.000 1.036 141 L CA -0.250 54.445 54.840 -0.241 0.000 0.806 141 L CB 1.557 43.501 42.059 -0.191 0.000 1.220 141 L HN 0.816 nan 8.230 nan 0.000 0.429 142 S N 0.135 115.711 115.700 -0.206 0.000 2.794 142 S HA 0.800 5.272 4.470 0.002 0.000 0.299 142 S C -1.730 172.858 174.600 -0.020 0.000 1.179 142 S CA -1.023 57.068 58.200 -0.181 0.000 0.838 142 S CB 2.274 65.321 63.200 -0.254 0.000 1.206 142 S HN 0.586 nan 8.310 nan 0.000 0.523 143 D N -0.938 119.505 120.400 0.071 0.000 2.581 143 D HA 0.501 5.142 4.640 0.002 0.000 0.232 143 D C -1.589 174.826 176.300 0.192 0.000 1.143 143 D CA -0.479 53.528 54.000 0.013 0.000 0.881 143 D CB 1.106 41.802 40.800 -0.173 0.000 1.500 143 D HN 0.731 nan 8.370 nan 0.000 0.458 144 W N 1.522 122.683 121.300 -0.230 0.000 2.957 144 W HA 0.444 5.106 4.660 0.003 0.000 0.336 144 W C -1.865 174.530 176.519 -0.205 0.000 1.087 144 W CA -0.821 56.513 57.345 -0.019 0.000 1.235 144 W CB 1.442 30.939 29.460 0.060 0.000 1.399 144 W HN 0.352 nan 8.180 nan 0.000 0.480 145 W N 4.115 124.968 121.300 -0.745 0.000 2.639 145 W HA 0.253 4.914 4.660 0.002 0.000 0.347 145 W C 0.837 176.869 176.519 -0.811 0.000 1.067 145 W CA -0.455 56.500 57.345 -0.650 0.000 1.218 145 W CB 1.299 30.477 29.460 -0.470 0.000 1.393 145 W HN 0.569 nan 8.180 nan 0.000 0.557 146 H N 0.055 118.921 119.070 -0.339 0.000 2.551 146 H HA -0.027 4.530 4.556 0.002 0.000 0.266 146 H C 0.820 176.030 175.328 -0.198 0.000 0.964 146 H CA 0.121 55.994 56.048 -0.291 0.000 1.180 146 H CB 1.064 30.675 29.762 -0.252 0.000 1.408 146 H HN 0.266 nan 8.280 nan 0.000 0.563 147 Q N 1.594 121.362 119.800 -0.052 0.000 2.312 147 Q HA 0.125 4.467 4.340 0.002 0.000 0.236 147 Q C 0.019 175.938 176.000 -0.134 0.000 0.965 147 Q CA -0.439 55.316 55.803 -0.079 0.000 0.894 147 Q CB 1.199 29.886 28.738 -0.085 0.000 1.225 147 Q HN 0.111 nan 8.270 nan 0.000 0.478 148 S N 2.199 117.843 115.700 -0.094 0.000 2.549 148 S HA 0.002 4.473 4.470 0.002 0.000 0.286 148 S C 1.142 175.674 174.600 -0.112 0.000 1.314 148 S CA -0.477 57.684 58.200 -0.065 0.000 1.062 148 S CB 0.239 63.435 63.200 -0.007 0.000 0.865 148 S HN 0.633 nan 8.310 nan 0.000 0.498 149 I N 4.343 124.837 120.570 -0.127 0.000 2.454 149 I HA -0.056 4.116 4.170 0.002 0.000 0.254 149 I C 1.737 177.703 176.117 -0.252 0.000 1.156 149 I CA 1.538 62.686 61.300 -0.253 0.000 1.433 149 I CB -0.715 37.114 38.000 -0.285 0.000 1.082 149 I HN 0.777 nan 8.210 nan 0.000 0.432 150 H N -0.583 118.421 119.070 -0.109 0.000 2.502 150 H HA 0.056 4.613 4.556 0.002 0.000 0.283 150 H C 2.069 177.344 175.328 -0.090 0.000 1.015 150 H CA 0.832 56.831 56.048 -0.081 0.000 1.298 150 H CB -0.154 29.569 29.762 -0.065 0.000 1.411 150 H HN 0.214 nan 8.280 nan 0.000 0.556 151 K N 0.436 120.840 120.400 0.005 0.000 2.116 151 K HA -0.061 4.260 4.320 0.002 0.000 0.203 151 K C 1.900 178.438 176.600 -0.103 0.000 1.052 151 K CA 0.774 57.037 56.287 -0.040 0.000 0.952 151 K CB 0.161 32.632 32.500 -0.047 0.000 0.729 151 K HN 0.385 nan 8.250 nan 0.000 0.446 152 Q N 0.718 120.406 119.800 -0.186 0.000 2.050 152 Q HA -0.179 4.162 4.340 0.002 0.000 0.202 152 Q C 1.877 177.707 176.000 -0.283 0.000 0.980 152 Q CA 1.356 56.986 55.803 -0.289 0.000 0.840 152 Q CB -0.014 28.459 28.738 -0.442 0.000 0.898 152 Q HN 0.347 nan 8.270 nan 0.000 0.424 153 E N 0.059 120.102 120.200 -0.262 0.000 2.058 153 E HA -0.190 4.161 4.350 0.002 0.000 0.194 153 E C 2.130 178.697 176.600 -0.055 0.000 0.997 153 E CA 1.507 57.768 56.400 -0.232 0.000 0.801 153 E CB 0.003 29.652 29.700 -0.085 0.000 0.746 153 E HN 0.128 nan 8.360 nan 0.000 0.450 154 V N 0.619 120.521 119.914 -0.021 0.000 2.270 154 V HA -0.189 3.933 4.120 0.002 0.000 0.245 154 V C 2.384 178.492 176.094 0.025 0.000 1.043 154 V CA 1.976 64.290 62.300 0.024 0.000 1.014 154 V CB -1.039 30.796 31.823 0.020 0.000 0.645 154 V HN 0.427 nan 8.190 nan 0.000 0.447 155 G N -0.132 108.660 108.800 -0.014 0.000 2.469 155 G HA2 -0.245 3.716 3.960 0.002 0.000 0.220 155 G HA3 -0.245 3.716 3.960 0.002 0.000 0.220 155 G C 1.524 176.448 174.900 0.041 0.000 1.136 155 G CA 0.991 46.092 45.100 0.002 0.000 0.759 155 G HN 0.495 nan 8.290 nan 0.000 0.562 156 L N 0.771 122.002 121.223 0.012 0.000 2.465 156 L HA 0.070 4.411 4.340 0.002 0.000 0.224 156 L C 1.942 178.923 176.870 0.186 0.000 1.145 156 L CA 0.515 55.411 54.840 0.094 0.000 0.834 156 L CB 0.211 42.263 42.059 -0.012 0.000 0.944 156 L HN 0.126 nan 8.230 nan 0.000 0.451 157 S N -1.613 114.186 115.700 0.166 0.000 2.568 157 S HA 0.171 4.642 4.470 0.002 0.000 0.232 157 S C 0.624 175.331 174.600 0.178 0.000 0.975 157 S CA -0.291 57.986 58.200 0.128 0.000 0.949 157 S CB 0.485 63.738 63.200 0.088 0.000 0.829 157 S HN 0.152 nan 8.310 nan 0.000 0.479 158 S N 2.023 117.847 115.700 0.207 0.000 2.690 158 S HA 0.475 4.947 4.470 0.002 0.000 0.291 158 S C -0.231 174.505 174.600 0.227 0.000 1.138 158 S CA -0.776 57.554 58.200 0.216 0.000 1.013 158 S CB 1.023 64.294 63.200 0.118 0.000 1.053 158 S HN 0.252 nan 8.310 nan 0.000 0.539 159 K N 2.273 122.737 120.400 0.107 0.000 2.323 159 K HA 0.423 4.744 4.320 0.002 0.000 0.259 159 K C -2.469 174.119 176.600 -0.019 0.000 0.947 159 K CA -1.702 54.554 56.287 -0.052 0.000 0.819 159 K CB 0.676 33.028 32.500 -0.248 0.000 1.109 159 K HN 0.455 nan 8.250 nan 0.000 0.429 160 P HA -0.011 nan 4.420 nan 0.000 0.265 160 P C 0.004 177.337 177.300 0.054 0.000 1.187 160 P CA -0.231 62.874 63.100 0.008 0.000 0.766 160 P CB 0.775 32.480 31.700 0.007 0.000 0.820 161 I N 2.587 123.203 120.570 0.076 0.000 2.872 161 I HA -0.042 4.129 4.170 0.002 0.000 0.291 161 I C 0.496 176.685 176.117 0.121 0.000 1.216 161 I CA -0.050 61.324 61.300 0.123 0.000 1.424 161 I CB 0.311 38.396 38.000 0.142 0.000 1.351 161 I HN 0.361 nan 8.210 nan 0.000 0.592 162 R N 7.733 128.311 120.500 0.131 0.000 2.358 162 R HA 0.177 4.518 4.340 0.002 0.000 0.309 162 R C -0.757 175.645 176.300 0.170 0.000 1.026 162 R CA -0.599 55.574 56.100 0.122 0.000 0.909 162 R CB 0.985 31.320 30.300 0.058 0.000 1.153 162 R HN 0.678 nan 8.270 nan 0.000 0.515 163 W N 5.608 126.913 121.300 0.009 0.000 2.193 163 W HA -0.026 4.636 4.660 0.003 0.000 0.338 163 W C 1.172 177.680 176.519 -0.018 0.000 1.310 163 W CA -0.302 57.050 57.345 0.011 0.000 1.243 163 W CB 0.602 30.087 29.460 0.042 0.000 1.165 163 W HN 0.700 nan 8.180 nan 0.000 0.566 164 I N 3.292 123.313 120.570 -0.915 0.000 2.676 164 I HA 0.165 4.336 4.170 0.002 0.000 0.259 164 I C 0.978 176.767 176.117 -0.547 0.000 1.194 164 I CA 1.087 61.897 61.300 -0.816 0.000 1.473 164 I CB -0.807 36.516 38.000 -1.127 0.000 1.096 164 I HN 0.597 nan 8.210 nan 0.000 0.443 165 G N 1.662 110.011 108.800 -0.752 0.000 2.760 165 G HA2 -0.181 3.781 3.960 0.002 0.000 0.246 165 G HA3 -0.181 3.781 3.960 0.002 0.000 0.246 165 G C -0.698 174.291 174.900 0.148 0.000 1.359 165 G CA -0.547 44.509 45.100 -0.074 0.000 0.861 165 G HN 0.369 nan 8.290 nan 0.000 0.541 166 E N 1.736 122.028 120.200 0.153 0.000 2.360 166 E HA 0.338 4.689 4.350 0.002 0.000 0.269 166 E C -1.557 174.930 176.600 -0.189 0.000 1.022 166 E CA -1.215 55.219 56.400 0.056 0.000 0.887 166 E CB 0.744 30.446 29.700 0.003 0.000 0.990 166 E HN 0.437 nan 8.360 nan 0.000 0.426 167 P HA -0.022 nan 4.420 nan 0.000 0.268 167 P C 0.095 176.970 177.300 -0.708 0.000 1.208 167 P CA 0.106 62.352 63.100 -1.423 0.000 0.777 167 P CB 0.840 31.653 31.700 -1.479 0.000 0.875 168 Q N 0.007 119.401 119.800 -0.677 0.000 2.187 168 Q HA 0.063 4.405 4.340 0.002 0.000 0.199 168 Q C 0.333 176.288 176.000 -0.075 0.000 0.957 168 Q CA 1.533 57.153 55.803 -0.305 0.000 0.857 168 Q CB -0.013 28.329 28.738 -0.659 0.000 0.929 168 Q HN 0.535 nan 8.270 nan 0.000 0.453 169 T N -0.268 114.219 114.554 -0.112 0.000 2.916 169 T HA 0.466 4.817 4.350 0.002 0.000 0.305 169 T C -0.919 173.773 174.700 -0.014 0.000 1.119 169 T CA -0.694 61.433 62.100 0.045 0.000 1.008 169 T CB 1.602 70.604 68.868 0.224 0.000 1.129 169 T HN -0.127 nan 8.240 nan 0.000 0.480 170 I N 2.794 123.360 120.570 -0.008 0.000 2.359 170 I HA 0.376 4.548 4.170 0.002 0.000 0.294 170 I C -0.700 175.436 176.117 0.031 0.000 0.987 170 I CA -0.924 60.367 61.300 -0.015 0.000 1.225 170 I CB 1.179 39.152 38.000 -0.045 0.000 1.366 170 I HN 0.397 nan 8.210 nan 0.000 0.466 171 L N 7.310 128.560 121.223 0.044 0.000 2.265 171 L HA 0.380 4.721 4.340 0.002 0.000 0.289 171 L C -0.366 176.508 176.870 0.006 0.000 1.033 171 L CA -0.503 54.371 54.840 0.058 0.000 0.814 171 L CB 1.050 43.183 42.059 0.124 0.000 1.203 171 L HN 0.292 nan 8.230 nan 0.000 0.423 172 L N 5.341 126.570 121.223 0.010 0.000 2.262 172 L HA 0.452 4.793 4.340 0.002 0.000 0.288 172 L C 0.418 177.262 176.870 -0.044 0.000 1.035 172 L CA -0.024 54.808 54.840 -0.013 0.000 0.820 172 L CB 0.429 42.502 42.059 0.023 0.000 1.204 172 L HN 0.524 nan 8.230 nan 0.000 0.424 173 N N 3.553 122.176 118.700 -0.129 0.000 2.740 173 N HA -0.212 4.529 4.740 0.002 0.000 0.248 173 N C 1.087 176.514 175.510 -0.137 0.000 1.062 173 N CA 1.230 54.157 53.050 -0.205 0.000 0.704 173 N CB -0.943 37.302 38.487 -0.403 0.000 0.968 173 N HN 1.044 nan 8.380 nan 0.000 0.547 174 G N -1.664 107.067 108.800 -0.115 0.000 2.199 174 G HA2 -0.366 3.595 3.960 0.002 0.000 0.254 174 G HA3 -0.366 3.595 3.960 0.002 0.000 0.254 174 G C 0.132 175.126 174.900 0.156 0.000 0.982 174 G CA 0.728 45.774 45.100 -0.090 0.000 0.632 174 G HN 0.604 nan 8.290 nan 0.000 0.529 175 R N -0.237 120.328 120.500 0.108 0.000 2.740 175 R HA 0.736 5.077 4.340 0.002 0.000 0.282 175 R C 0.367 176.722 176.300 0.092 0.000 0.969 175 R CA 0.106 56.282 56.100 0.127 0.000 0.918 175 R CB 2.141 32.525 30.300 0.140 0.000 1.175 175 R HN 0.780 nan 8.270 nan 0.000 0.464 176 G N 0.655 109.507 108.800 0.087 0.000 2.559 176 G HA2 0.466 4.428 3.960 0.002 0.000 0.291 176 G HA3 0.466 4.428 3.960 0.002 0.000 0.291 176 G C -1.866 173.096 174.900 0.103 0.000 1.424 176 G CA -0.667 44.483 45.100 0.085 0.000 0.786 176 G HN 0.313 nan 8.290 nan 0.000 0.485 177 Q N -0.661 119.206 119.800 0.111 0.000 2.331 177 Q HA 0.676 5.017 4.340 0.002 0.000 0.272 177 Q C -1.570 174.533 176.000 0.173 0.000 1.062 177 Q CA -0.514 55.366 55.803 0.127 0.000 0.806 177 Q CB 2.977 31.757 28.738 0.070 0.000 1.312 177 Q HN 0.550 nan 8.270 nan 0.000 0.431 178 F N 2.116 122.104 119.950 0.062 0.000 2.508 178 F HA 0.425 4.954 4.527 0.002 0.000 0.325 178 F C 0.126 175.957 175.800 0.052 0.000 1.090 178 F CA -0.528 57.515 58.000 0.072 0.000 0.945 178 F CB 1.350 40.458 39.000 0.180 0.000 1.156 178 F HN 0.645 nan 8.300 nan 0.000 0.463 179 D N 2.094 122.031 120.400 -0.773 0.000 3.070 179 D HA -0.258 4.383 4.640 0.002 0.000 0.220 179 D C -0.524 175.661 176.300 -0.193 0.000 1.176 179 D CA 1.616 55.325 54.000 -0.484 0.000 0.924 179 D CB -1.217 39.391 40.800 -0.320 0.000 1.124 179 D HN 0.664 nan 8.370 nan 0.000 0.411 180 c N -3.315 115.208 118.600 -0.128 0.000 3.332 180 c HA 0.864 5.436 4.570 0.002 0.000 0.329 180 c C -0.314 173.737 174.090 -0.064 0.000 1.434 180 c CA -0.395 55.891 56.329 -0.072 0.000 1.314 180 c CB 2.253 44.746 42.510 -0.028 0.000 1.664 180 c HN 0.231 nan 8.230 nan 0.000 0.457 181 S N -0.466 115.205 115.700 -0.048 0.000 2.548 181 S HA 0.566 5.037 4.470 0.002 0.000 0.276 181 S C 0.361 174.953 174.600 -0.013 0.000 1.129 181 S CA -0.495 57.676 58.200 -0.049 0.000 0.931 181 S CB 1.033 64.188 63.200 -0.075 0.000 1.068 181 S HN 1.370 nan 8.310 nan 0.000 0.480 182 I N 2.030 122.610 120.570 0.016 0.000 3.334 182 I HA 0.368 4.539 4.170 0.002 0.000 0.282 182 I C 1.038 177.258 176.117 0.172 0.000 1.313 182 I CA 0.620 61.981 61.300 0.102 0.000 1.396 182 I CB -0.185 37.916 38.000 0.169 0.000 1.054 182 I HN 0.500 nan 8.210 nan 0.000 0.495 183 A N 0.978 123.806 122.820 0.013 0.000 2.701 183 A HA 0.754 5.075 4.320 0.002 0.000 0.297 183 A C 1.747 179.356 177.584 0.041 0.000 1.197 183 A CA 0.214 52.279 52.037 0.046 0.000 0.963 183 A CB -0.229 18.513 19.000 -0.431 0.000 1.175 183 A HN 0.421 nan 8.150 nan 0.000 0.531 184 A N 0.828 123.635 122.820 -0.021 0.000 2.209 184 A HA -0.041 4.280 4.320 0.002 0.000 0.212 184 A C 1.908 179.423 177.584 -0.114 0.000 1.158 184 A CA 1.381 53.386 52.037 -0.053 0.000 0.742 184 A CB -0.403 18.567 19.000 -0.050 0.000 0.790 184 A HN 0.675 nan 8.150 nan 0.000 0.472 185 K N -1.342 118.901 120.400 -0.262 0.000 2.288 185 K HA -0.101 4.221 4.320 0.002 0.000 0.201 185 K C 0.837 177.203 176.600 -0.390 0.000 1.048 185 K CA 1.273 57.339 56.287 -0.367 0.000 0.956 185 K CB -0.419 31.797 32.500 -0.472 0.000 0.746 185 K HN 0.460 nan 8.250 nan 0.000 0.461 186 Y N 0.685 120.981 120.300 -0.008 0.000 2.511 186 Y HA 0.186 4.738 4.550 0.002 0.000 0.279 186 Y C -0.161 175.718 175.900 -0.035 0.000 1.157 186 Y CA -0.335 57.754 58.100 -0.019 0.000 1.300 186 Y CB 0.372 38.813 38.460 -0.032 0.000 1.052 186 Y HN 0.124 nan 8.280 nan 0.000 0.529 187 D N -1.321 119.104 120.400 0.041 0.000 2.470 187 D HA 0.149 4.791 4.640 0.002 0.000 0.233 187 D C 0.174 176.464 176.300 -0.017 0.000 1.372 187 D CA -0.173 53.836 54.000 0.014 0.000 0.994 187 D CB 1.149 41.958 40.800 0.014 0.000 1.377 187 D HN -0.098 nan 8.370 nan 0.000 0.586 188 S N 2.283 117.970 115.700 -0.021 0.000 2.488 188 S HA -0.144 4.327 4.470 0.002 0.000 0.246 188 S C 1.427 176.010 174.600 -0.028 0.000 0.992 188 S CA 0.705 58.889 58.200 -0.027 0.000 0.963 188 S CB -0.263 62.924 63.200 -0.022 0.000 0.754 188 S HN 0.600 nan 8.310 nan 0.000 0.519 189 N N 0.299 118.983 118.700 -0.027 0.000 2.446 189 N HA 0.150 4.891 4.740 0.002 0.000 0.179 189 N C -0.152 175.333 175.510 -0.040 0.000 1.054 189 N CA 0.153 53.185 53.050 -0.031 0.000 0.905 189 N CB 0.065 38.534 38.487 -0.029 0.000 0.973 189 N HN 0.335 nan 8.380 nan 0.000 0.448 190 L N 1.080 122.277 121.223 -0.043 0.000 2.357 190 L HA 0.286 4.628 4.340 0.002 0.000 0.273 190 L C 0.022 176.862 176.870 -0.050 0.000 1.080 190 L CA -0.558 54.250 54.840 -0.053 0.000 0.803 190 L CB 1.294 43.322 42.059 -0.053 0.000 1.174 190 L HN -0.055 nan 8.230 nan 0.000 0.443 191 E N 3.597 123.763 120.200 -0.056 0.000 2.200 191 E HA 0.281 4.632 4.350 0.002 0.000 0.283 191 E C -2.406 174.170 176.600 -0.040 0.000 1.015 191 E CA -1.814 54.558 56.400 -0.047 0.000 0.819 191 E CB 1.081 30.750 29.700 -0.051 0.000 1.081 191 E HN 0.155 nan 8.360 nan 0.000 0.397 192 P HA 0.046 nan 4.420 nan 0.000 0.271 192 P C -0.650 176.642 177.300 -0.014 0.000 1.220 192 P CA -0.333 62.752 63.100 -0.024 0.000 0.768 192 P CB 0.482 32.166 31.700 -0.026 0.000 0.848 193 c N 4.268 122.866 118.600 -0.002 0.000 2.601 193 c HA 0.200 4.771 4.570 0.002 0.000 0.409 193 c C 0.889 174.983 174.090 0.006 0.000 1.293 193 c CA -0.198 56.135 56.329 0.007 0.000 2.101 193 c CB -0.684 41.838 42.510 0.020 0.000 2.639 193 c HN 0.479 nan 8.230 nan 0.000 0.592 194 K N 2.679 123.083 120.400 0.005 0.000 2.292 194 K HA 0.668 4.990 4.320 0.002 0.000 0.270 194 K C -1.074 175.529 176.600 0.005 0.000 1.062 194 K CA 0.134 56.422 56.287 0.002 0.000 0.916 194 K CB 0.571 33.069 32.500 -0.002 0.000 1.166 194 K HN 0.528 nan 8.250 nan 0.000 0.458 195 L N 3.401 124.628 121.223 0.007 0.000 2.476 195 L HA 0.307 4.648 4.340 0.002 0.000 0.269 195 L C 0.379 177.253 176.870 0.007 0.000 0.965 195 L CA -0.589 54.256 54.840 0.009 0.000 0.845 195 L CB 1.953 44.024 42.059 0.019 0.000 1.259 195 L HN 0.511 nan 8.230 nan 0.000 0.403 196 K N 1.832 122.234 120.400 0.003 0.000 2.487 196 K HA 0.193 4.514 4.320 0.002 0.000 0.192 196 K C 1.266 177.870 176.600 0.008 0.000 1.027 196 K CA 0.618 56.906 56.287 0.003 0.000 1.054 196 K CB 0.348 32.848 32.500 -0.000 0.000 0.824 196 K HN 0.977 nan 8.250 nan 0.000 0.510 197 G N 1.238 110.046 108.800 0.012 0.000 2.175 197 G HA2 -0.307 3.654 3.960 0.002 0.000 0.244 197 G HA3 -0.307 3.654 3.960 0.002 0.000 0.244 197 G C 0.924 175.837 174.900 0.022 0.000 0.982 197 G CA 0.611 45.722 45.100 0.019 0.000 0.641 197 G HN 0.401 nan 8.290 nan 0.000 0.527 198 S N -0.413 115.296 115.700 0.014 0.000 2.535 198 S HA 0.437 4.908 4.470 0.002 0.000 0.214 198 S C 0.608 175.213 174.600 0.007 0.000 0.980 198 S CA 0.627 58.836 58.200 0.014 0.000 0.907 198 S CB 0.672 63.876 63.200 0.007 0.000 0.790 198 S HN 0.520 nan 8.310 nan 0.000 0.510 199 E N 2.262 122.462 120.200 0.000 0.000 2.371 199 E HA 0.342 4.693 4.350 0.002 0.000 0.257 199 E C 1.140 177.730 176.600 -0.017 0.000 1.134 199 E CA 0.271 56.656 56.400 -0.025 0.000 0.919 199 E CB 0.508 30.193 29.700 -0.024 0.000 1.025 199 E HN 0.289 nan 8.360 nan 0.000 0.438 200 S N -0.458 115.191 115.700 -0.084 0.000 2.423 200 S HA -0.175 4.296 4.470 0.002 0.000 0.231 200 S C 1.724 176.346 174.600 0.038 0.000 1.014 200 S CA 0.946 59.099 58.200 -0.078 0.000 0.965 200 S CB -0.627 62.328 63.200 -0.409 0.000 0.785 200 S HN 0.719 nan 8.310 nan 0.000 0.495 201 c N 1.113 119.720 118.600 0.012 0.000 2.855 201 c HA 0.794 5.365 4.570 0.002 0.000 0.279 201 c C 1.125 175.255 174.090 0.066 0.000 1.270 201 c CA -1.109 55.251 56.329 0.053 0.000 1.702 201 c CB -1.743 40.788 42.510 0.035 0.000 1.949 201 c HN 0.560 nan 8.230 nan 0.000 0.618 202 A N 3.452 126.308 122.820 0.060 0.000 2.488 202 A HA 0.534 4.855 4.320 0.002 0.000 0.249 202 A C -1.747 175.888 177.584 0.084 0.000 1.083 202 A CA -0.733 51.340 52.037 0.060 0.000 0.768 202 A CB -0.210 18.818 19.000 0.047 0.000 1.017 202 A HN 0.573 nan 8.150 nan 0.000 0.496 203 P HA -0.146 nan 4.420 nan 0.000 0.264 203 P C -0.843 176.523 177.300 0.110 0.000 1.179 203 P CA 0.599 63.751 63.100 0.087 0.000 0.763 203 P CB 0.171 31.904 31.700 0.055 0.000 0.806 204 Y N 3.774 124.082 120.300 0.014 0.000 2.556 204 Y HA 0.286 4.838 4.550 0.002 0.000 0.352 204 Y C 0.145 176.034 175.900 -0.018 0.000 1.006 204 Y CA -0.493 57.632 58.100 0.042 0.000 1.277 204 Y CB -0.496 38.020 38.460 0.093 0.000 1.136 204 Y HN 0.154 nan 8.280 nan 0.000 0.523 205 I N 6.643 127.069 120.570 -0.241 0.000 2.529 205 I HA 0.016 4.187 4.170 0.002 0.000 0.284 205 I C -0.611 175.288 176.117 -0.364 0.000 1.082 205 I CA 0.216 61.314 61.300 -0.337 0.000 1.406 205 I CB 0.075 37.831 38.000 -0.407 0.000 1.405 205 I HN 0.371 nan 8.210 nan 0.000 0.548 206 F N 5.426 125.169 119.950 -0.344 0.000 2.421 206 F HA 0.276 4.804 4.527 0.002 0.000 0.358 206 F C 0.601 176.175 175.800 -0.377 0.000 1.115 206 F CA -0.603 57.239 58.000 -0.264 0.000 1.160 206 F CB -0.228 38.706 39.000 -0.110 0.000 1.123 206 F HN 0.345 nan 8.300 nan 0.000 0.508 207 H N 3.387 122.455 119.070 -0.003 0.000 2.519 207 H HA 0.540 5.098 4.556 0.002 0.000 0.316 207 H C -0.320 174.892 175.328 -0.194 0.000 1.065 207 H CA -0.412 55.593 56.048 -0.070 0.000 1.264 207 H CB 1.910 31.635 29.762 -0.061 0.000 1.413 207 H HN 0.414 nan 8.280 nan 0.000 0.465 208 V N 0.741 120.576 119.914 -0.132 0.000 2.823 208 V HA 0.569 4.690 4.120 0.002 0.000 0.312 208 V C 0.227 176.238 176.094 -0.138 0.000 1.072 208 V CA -0.924 61.167 62.300 -0.349 0.000 0.937 208 V CB 2.053 33.489 31.823 -0.645 0.000 1.013 208 V HN 0.604 nan 8.190 nan 0.000 0.430 209 S N 4.008 119.739 115.700 0.051 0.000 2.616 209 S HA 0.632 5.104 4.470 0.002 0.000 0.277 209 S C -2.466 172.130 174.600 -0.007 0.000 1.234 209 S CA -0.855 57.376 58.200 0.052 0.000 1.028 209 S CB 1.168 64.438 63.200 0.118 0.000 0.988 209 S HN 0.819 nan 8.310 nan 0.000 0.522 210 P HA 0.045 nan 4.420 nan 0.000 0.270 210 P C 0.132 177.480 177.300 0.081 0.000 1.223 210 P CA -0.070 63.060 63.100 0.050 0.000 0.785 210 P CB 0.255 32.068 31.700 0.189 0.000 0.923 211 K N -0.697 119.768 120.400 0.108 0.000 3.020 211 K HA -0.222 4.099 4.320 0.002 0.000 0.266 211 K C -0.959 175.669 176.600 0.047 0.000 1.067 211 K CA 1.494 57.833 56.287 0.086 0.000 0.780 211 K CB -1.309 31.240 32.500 0.082 0.000 1.220 211 K HN 0.463 nan 8.250 nan 0.000 0.483 212 K N 0.178 120.593 120.400 0.024 0.000 2.306 212 K HA 0.449 4.770 4.320 0.002 0.000 0.236 212 K C -0.231 176.256 176.600 -0.189 0.000 1.013 212 K CA -0.679 55.534 56.287 -0.122 0.000 0.857 212 K CB 1.517 33.873 32.500 -0.240 0.000 1.214 212 K HN 0.072 nan 8.250 nan 0.000 0.449 213 T N 1.450 115.806 114.554 -0.329 0.000 2.807 213 T HA 0.525 4.876 4.350 0.002 0.000 0.279 213 T C -1.186 173.267 174.700 -0.412 0.000 0.993 213 T CA -0.465 61.516 62.100 -0.199 0.000 0.970 213 T CB 0.281 69.134 68.868 -0.024 0.000 0.950 213 T HN 0.253 nan 8.240 nan 0.000 0.441 214 Y N 1.265 121.576 120.300 0.018 0.000 2.425 214 Y HA 0.577 5.128 4.550 0.002 0.000 0.344 214 Y C 0.298 176.120 175.900 -0.130 0.000 0.969 214 Y CA -1.359 56.723 58.100 -0.029 0.000 1.052 214 Y CB 1.549 39.972 38.460 -0.063 0.000 1.215 214 Y HN 0.485 nan 8.280 nan 0.000 0.451 215 R N 3.470 123.875 120.500 -0.160 0.000 2.202 215 R HA 0.561 4.902 4.340 0.002 0.000 0.334 215 R C -1.652 174.497 176.300 -0.252 0.000 1.036 215 R CA 0.020 55.887 56.100 -0.388 0.000 0.878 215 R CB 0.036 29.739 30.300 -0.994 0.000 1.067 215 R HN 0.739 nan 8.270 nan 0.000 0.457 216 I N 5.666 126.100 120.570 -0.226 0.000 2.330 216 I HA 0.341 4.513 4.170 0.002 0.000 0.289 216 I C 0.151 176.103 176.117 -0.275 0.000 1.001 216 I CA -0.788 60.354 61.300 -0.264 0.000 1.193 216 I CB 1.438 39.296 38.000 -0.237 0.000 1.345 216 I HN 0.539 nan 8.210 nan 0.000 0.461 217 R N 7.162 127.502 120.500 -0.267 0.000 2.265 217 R HA 0.685 5.026 4.340 0.002 0.000 0.319 217 R C -0.964 175.175 176.300 -0.268 0.000 1.006 217 R CA -0.523 55.435 56.100 -0.236 0.000 0.880 217 R CB 1.369 31.553 30.300 -0.193 0.000 1.077 217 R HN 0.522 nan 8.270 nan 0.000 0.454 218 I N 1.876 122.287 120.570 -0.265 0.000 2.466 218 I HA 0.547 4.718 4.170 0.002 0.000 0.289 218 I C -0.451 175.513 176.117 -0.255 0.000 1.026 218 I CA -0.600 60.523 61.300 -0.294 0.000 1.078 218 I CB 2.185 39.958 38.000 -0.379 0.000 1.249 218 I HN 0.646 nan 8.210 nan 0.000 0.429 219 A N 3.775 126.397 122.820 -0.330 0.000 2.498 219 A HA 0.845 5.167 4.320 0.002 0.000 0.298 219 A C -0.981 176.250 177.584 -0.588 0.000 1.075 219 A CA -0.618 51.136 52.037 -0.471 0.000 0.714 219 A CB 2.083 20.712 19.000 -0.618 0.000 1.299 219 A HN 0.528 nan 8.150 nan 0.000 0.407 220 S N 0.023 115.325 115.700 -0.665 0.000 2.478 220 S HA 0.622 5.093 4.470 0.002 0.000 0.312 220 S C -0.126 174.074 174.600 -0.666 0.000 1.094 220 S CA -0.008 57.863 58.200 -0.548 0.000 1.081 220 S CB 0.714 63.745 63.200 -0.283 0.000 1.007 220 S HN 0.892 nan 8.310 nan 0.000 0.475 221 T N 1.650 115.863 114.554 -0.569 0.000 3.355 221 T HA 0.202 4.553 4.350 0.002 0.000 0.276 221 T C 0.440 174.985 174.700 -0.257 0.000 1.003 221 T CA -0.510 61.377 62.100 -0.355 0.000 0.943 221 T CB -0.462 68.121 68.868 -0.476 0.000 1.158 221 T HN 0.735 nan 8.240 nan 0.000 0.513 222 T N -0.360 114.095 114.554 -0.165 0.000 2.926 222 T HA 0.527 4.879 4.350 0.002 0.000 0.307 222 T C 1.651 176.364 174.700 0.023 0.000 1.059 222 T CA -0.167 61.898 62.100 -0.058 0.000 1.122 222 T CB 1.293 70.137 68.868 -0.041 0.000 0.972 222 T HN 0.201 nan 8.240 nan 0.000 0.545 223 A N 1.988 124.862 122.820 0.091 0.000 1.970 223 A HA 0.254 4.575 4.320 0.002 0.000 0.216 223 A C 1.843 179.453 177.584 0.044 0.000 1.170 223 A CA 1.039 53.105 52.037 0.050 0.000 0.645 223 A CB -0.487 18.538 19.000 0.042 0.000 0.816 223 A HN 0.820 nan 8.150 nan 0.000 0.447 224 L N -2.808 118.507 121.223 0.154 0.000 2.598 224 L HA 0.573 4.915 4.340 0.002 0.000 0.205 224 L C 1.076 178.007 176.870 0.101 0.000 1.054 224 L CA 0.910 55.827 54.840 0.129 0.000 0.934 224 L CB -0.250 41.968 42.059 0.266 0.000 1.704 224 L HN 0.169 nan 8.230 nan 0.000 0.491 225 A N 1.007 123.873 122.820 0.075 0.000 2.483 225 A HA 0.598 4.920 4.320 0.002 0.000 0.238 225 A C 0.134 177.724 177.584 0.010 0.000 1.070 225 A CA 0.358 52.410 52.037 0.026 0.000 0.770 225 A CB -0.276 18.703 19.000 -0.035 0.000 1.008 225 A HN 0.506 nan 8.150 nan 0.000 0.497 226 A N 2.127 124.950 122.820 0.004 0.000 2.292 226 A HA 0.678 5.000 4.320 0.002 0.000 0.319 226 A C -0.319 177.183 177.584 -0.137 0.000 1.206 226 A CA -0.435 51.545 52.037 -0.095 0.000 0.835 226 A CB 0.359 19.331 19.000 -0.048 0.000 1.164 226 A HN 0.807 nan 8.150 nan 0.000 0.505 227 L N 1.965 123.069 121.223 -0.197 0.000 2.323 227 L HA 0.553 4.894 4.340 0.002 0.000 0.265 227 L C 0.121 176.888 176.870 -0.172 0.000 1.012 227 L CA -0.817 53.937 54.840 -0.144 0.000 0.820 227 L CB 1.988 43.987 42.059 -0.101 0.000 1.334 227 L HN 0.812 nan 8.230 nan 0.000 0.427 228 N N 0.979 119.606 118.700 -0.122 0.000 2.354 228 N HA 0.335 5.077 4.740 0.002 0.000 0.287 228 N C -1.897 173.573 175.510 -0.066 0.000 1.016 228 N CA -0.374 52.598 53.050 -0.131 0.000 0.871 228 N CB 1.946 40.351 38.487 -0.137 0.000 1.299 228 N HN 0.402 nan 8.380 nan 0.000 0.482 229 F N 3.378 123.216 119.950 -0.187 0.000 2.427 229 F HA 0.703 5.231 4.527 0.002 0.000 0.346 229 F C -0.776 174.956 175.800 -0.115 0.000 1.120 229 F CA -0.330 57.590 58.000 -0.134 0.000 1.033 229 F CB 1.135 40.058 39.000 -0.128 0.000 1.126 229 F HN 0.528 nan 8.300 nan 0.000 0.462 230 A N 7.060 129.440 122.820 -0.732 0.000 2.520 230 A HA 0.761 5.082 4.320 0.002 0.000 0.298 230 A C -1.578 175.675 177.584 -0.552 0.000 1.051 230 A CA -0.644 51.100 52.037 -0.488 0.000 0.690 230 A CB 1.120 19.973 19.000 -0.246 0.000 1.281 230 A HN 0.712 nan 8.150 nan 0.000 0.402 231 I N 1.786 122.180 120.570 -0.293 0.000 2.433 231 I HA 0.459 4.630 4.170 0.002 0.000 0.292 231 I C 1.046 177.180 176.117 0.029 0.000 1.001 231 I CA -0.774 60.452 61.300 -0.124 0.000 1.119 231 I CB 2.028 39.995 38.000 -0.054 0.000 1.289 231 I HN 0.814 nan 8.210 nan 0.000 0.438 232 G N 3.238 112.103 108.800 0.109 0.000 2.272 232 G HA2 0.040 4.001 3.960 0.002 0.000 0.247 232 G HA3 0.040 4.001 3.960 0.002 0.000 0.247 232 G C 0.425 175.433 174.900 0.179 0.000 1.272 232 G CA 0.102 45.304 45.100 0.171 0.000 0.921 232 G HN 0.945 nan 8.290 nan 0.000 0.495 233 N N -0.542 118.190 118.700 0.053 0.000 2.778 233 N HA -0.189 4.553 4.740 0.002 0.000 0.249 233 N C -0.316 175.016 175.510 -0.298 0.000 1.069 233 N CA 1.696 54.673 53.050 -0.122 0.000 0.831 233 N CB -1.209 37.149 38.487 -0.215 0.000 1.142 233 N HN 0.811 nan 8.380 nan 0.000 0.573 234 H N -0.482 118.528 119.070 -0.101 0.000 2.572 234 H HA 0.417 4.974 4.556 0.002 0.000 0.359 234 H C -0.197 175.135 175.328 0.005 0.000 1.134 234 H CA -0.607 55.408 56.048 -0.054 0.000 1.187 234 H CB 0.953 30.692 29.762 -0.038 0.000 1.597 234 H HN -0.056 nan 8.280 nan 0.000 0.524 235 Q N 1.925 121.798 119.800 0.122 0.000 2.299 235 Q HA 0.336 4.677 4.340 0.002 0.000 0.246 235 Q C -0.554 175.574 176.000 0.214 0.000 0.935 235 Q CA -0.336 55.560 55.803 0.154 0.000 0.887 235 Q CB 1.645 30.461 28.738 0.130 0.000 1.223 235 Q HN 0.543 nan 8.270 nan 0.000 0.439 236 L N 2.938 124.276 121.223 0.191 0.000 2.313 236 L HA 0.462 4.804 4.340 0.002 0.000 0.283 236 L C -0.439 176.427 176.870 -0.007 0.000 1.013 236 L CA -0.933 53.968 54.840 0.102 0.000 0.816 236 L CB 1.272 43.376 42.059 0.074 0.000 1.236 236 L HN 0.336 nan 8.230 nan 0.000 0.419 237 L N 4.401 125.529 121.223 -0.158 0.000 2.280 237 L HA 0.449 4.790 4.340 0.002 0.000 0.287 237 L C -0.367 176.246 176.870 -0.429 0.000 1.023 237 L CA -0.264 54.286 54.840 -0.483 0.000 0.819 237 L CB 1.545 43.225 42.059 -0.631 0.000 1.212 237 L HN 0.297 nan 8.230 nan 0.000 0.420 238 V N 6.426 126.005 119.914 -0.558 0.000 2.470 238 V HA 0.118 4.240 4.120 0.002 0.000 0.276 238 V C 0.951 176.827 176.094 -0.363 0.000 1.040 238 V CA 0.440 62.456 62.300 -0.474 0.000 1.008 238 V CB 0.959 32.334 31.823 -0.745 0.000 0.990 238 V HN 0.764 nan 8.190 nan 0.000 0.477 239 V N 0.930 120.670 119.914 -0.290 0.000 3.562 239 V HA 0.494 4.616 4.120 0.002 0.000 0.270 239 V C 0.353 176.413 176.094 -0.057 0.000 1.418 239 V CA 0.257 62.380 62.300 -0.294 0.000 1.033 239 V CB 0.461 31.800 31.823 -0.807 0.000 0.820 239 V HN 0.794 nan 8.190 nan 0.000 0.441 240 E N 0.547 120.729 120.200 -0.029 0.000 2.343 240 E HA 0.728 5.079 4.350 0.002 0.000 0.278 240 E C -1.636 174.945 176.600 -0.031 0.000 0.910 240 E CA -0.162 56.230 56.400 -0.012 0.000 0.757 240 E CB 2.509 32.169 29.700 -0.066 0.000 1.218 240 E HN 0.503 nan 8.360 nan 0.000 0.435 241 A N 3.410 126.163 122.820 -0.112 0.000 2.398 241 A HA 0.501 4.823 4.320 0.002 0.000 0.301 241 A C -0.708 176.708 177.584 -0.281 0.000 1.041 241 A CA -0.444 51.414 52.037 -0.300 0.000 0.711 241 A CB 0.946 19.873 19.000 -0.122 0.000 1.240 241 A HN 0.744 nan 8.150 nan 0.000 0.420 242 D N 1.526 121.725 120.400 -0.335 0.000 2.702 242 D HA -0.180 4.461 4.640 0.002 0.000 0.233 242 D C 1.168 177.384 176.300 -0.140 0.000 1.164 242 D CA 2.962 56.847 54.000 -0.191 0.000 0.638 242 D CB -1.211 39.515 40.800 -0.123 0.000 1.041 242 D HN 2.089 nan 8.370 nan 0.000 0.422 243 G N -0.752 107.860 108.800 -0.313 0.000 2.143 243 G HA2 -0.319 3.642 3.960 0.002 0.000 0.248 243 G HA3 -0.319 3.642 3.960 0.002 0.000 0.248 243 G C 0.017 174.766 174.900 -0.252 0.000 0.991 243 G CA 0.212 45.119 45.100 -0.322 0.000 0.689 243 G HN 0.516 nan 8.290 nan 0.000 0.522 244 N N -0.845 117.689 118.700 -0.277 0.000 2.242 244 N HA 0.481 5.223 4.740 0.002 0.000 0.292 244 N C -1.108 174.284 175.510 -0.196 0.000 1.125 244 N CA -0.572 52.331 53.050 -0.244 0.000 0.783 244 N CB 1.294 39.715 38.487 -0.109 0.000 1.558 244 N HN 0.064 nan 8.380 nan 0.000 0.472 245 Y N 0.309 120.650 120.300 0.069 0.000 2.316 245 Y HA 0.270 4.822 4.550 0.002 0.000 0.331 245 Y C 1.068 177.023 175.900 0.091 0.000 1.083 245 Y CA -0.690 57.468 58.100 0.097 0.000 1.206 245 Y CB 0.695 39.242 38.460 0.145 0.000 1.195 245 Y HN 0.166 nan 8.280 nan 0.000 0.497 246 V N 0.726 120.786 119.914 0.243 0.000 2.966 246 V HA 0.446 4.567 4.120 0.002 0.000 0.317 246 V C -0.243 175.961 176.094 0.183 0.000 1.070 246 V CA -1.452 60.968 62.300 0.201 0.000 1.008 246 V CB 1.645 33.593 31.823 0.208 0.000 1.070 246 V HN 0.800 nan 8.190 nan 0.000 0.457 247 Q N 2.385 122.296 119.800 0.185 0.000 2.262 247 Q HA 0.301 4.643 4.340 0.002 0.000 0.272 247 Q C -2.374 173.735 176.000 0.183 0.000 1.076 247 Q CA -1.263 54.636 55.803 0.160 0.000 0.905 247 Q CB 0.676 29.503 28.738 0.148 0.000 1.182 247 Q HN 0.658 nan 8.270 nan 0.000 0.390 248 P HA 0.027 nan 4.420 nan 0.000 0.266 248 P C -1.338 175.998 177.300 0.061 0.000 1.195 248 P CA 0.355 63.437 63.100 -0.030 0.000 0.768 248 P CB 0.204 31.831 31.700 -0.121 0.000 0.838 249 F N 0.346 120.202 119.950 -0.156 0.000 2.654 249 F HA 0.572 5.100 4.527 0.002 0.000 0.308 249 F C -1.612 174.074 175.800 -0.191 0.000 1.108 249 F CA -1.490 56.443 58.000 -0.112 0.000 0.957 249 F CB 0.698 39.695 39.000 -0.004 0.000 1.309 249 F HN 0.144 nan 8.300 nan 0.000 0.446 250 Y N 0.567 120.965 120.300 0.164 0.000 2.320 250 Y HA 0.654 5.205 4.550 0.002 0.000 0.324 250 Y C 0.608 176.617 175.900 0.181 0.000 1.190 250 Y CA -0.295 57.854 58.100 0.083 0.000 1.215 250 Y CB 1.919 40.426 38.460 0.079 0.000 1.221 250 Y HN 0.930 nan 8.280 nan 0.000 0.486 251 T N -0.392 114.324 114.554 0.270 0.000 2.853 251 T HA 0.273 4.625 4.350 0.002 0.000 0.311 251 T C 0.396 175.189 174.700 0.155 0.000 1.307 251 T CA -0.216 62.035 62.100 0.250 0.000 1.019 251 T CB 0.864 69.921 68.868 0.315 0.000 1.264 251 T HN 0.625 nan 8.240 nan 0.000 0.497 252 S N 1.205 116.969 115.700 0.106 0.000 2.528 252 S HA 0.296 4.767 4.470 0.002 0.000 0.219 252 S C 0.089 174.693 174.600 0.008 0.000 0.985 252 S CA 0.563 58.795 58.200 0.053 0.000 0.914 252 S CB -0.534 62.684 63.200 0.029 0.000 0.776 252 S HN 0.892 nan 8.310 nan 0.000 0.526 253 D N -0.050 120.338 120.400 -0.020 0.000 2.683 253 D HA 0.526 5.168 4.640 0.002 0.000 0.246 253 D C -0.894 175.276 176.300 -0.217 0.000 1.238 253 D CA -0.968 52.980 54.000 -0.086 0.000 0.759 253 D CB 0.682 41.409 40.800 -0.122 0.000 1.349 253 D HN 0.344 nan 8.370 nan 0.000 0.426 254 I N -2.636 117.761 120.570 -0.288 0.000 2.785 254 I HA 0.725 4.896 4.170 0.002 0.000 0.302 254 I C -1.283 174.487 176.117 -0.578 0.000 1.069 254 I CA -0.923 59.950 61.300 -0.712 0.000 1.045 254 I CB 2.207 39.825 38.000 -0.635 0.000 1.236 254 I HN 0.141 nan 8.210 nan 0.000 0.429 255 D N 4.516 124.448 120.400 -0.779 0.000 2.163 255 D HA 0.626 5.267 4.640 0.002 0.000 0.248 255 D C -0.937 175.169 176.300 -0.322 0.000 1.035 255 D CA 0.056 53.796 54.000 -0.432 0.000 0.872 255 D CB 2.871 43.519 40.800 -0.254 0.000 1.183 255 D HN 0.655 nan 8.370 nan 0.000 0.445 256 I N 1.975 122.340 120.570 -0.342 0.000 2.586 256 I HA 0.263 4.434 4.170 0.002 0.000 0.288 256 I C -1.635 174.306 176.117 -0.293 0.000 1.147 256 I CA -0.636 60.589 61.300 -0.126 0.000 1.047 256 I CB 0.971 38.956 38.000 -0.025 0.000 1.244 256 I HN 0.186 nan 8.210 nan 0.000 0.429 257 Y N 4.148 124.512 120.300 0.106 0.000 2.419 257 Y HA 0.371 4.923 4.550 0.003 0.000 0.328 257 Y C 0.951 176.850 175.900 -0.000 0.000 1.162 257 Y CA -0.327 57.810 58.100 0.062 0.000 1.174 257 Y CB 1.597 40.115 38.460 0.097 0.000 1.228 257 Y HN 0.508 nan 8.280 nan 0.000 0.473 258 S N 1.158 116.928 115.700 0.116 0.000 2.626 258 S HA 0.272 4.744 4.470 0.002 0.000 0.303 258 S C 1.075 175.549 174.600 -0.209 0.000 1.256 258 S CA 1.254 59.453 58.200 -0.002 0.000 1.069 258 S CB -0.742 62.532 63.200 0.124 0.000 0.807 258 S HN 1.193 nan 8.310 nan 0.000 0.500 259 G N 3.770 112.334 108.800 -0.393 0.000 2.213 259 G HA2 -0.174 3.787 3.960 0.002 0.000 0.226 259 G HA3 -0.174 3.787 3.960 0.002 0.000 0.226 259 G C -0.192 174.667 174.900 -0.068 0.000 0.992 259 G CA 0.123 44.946 45.100 -0.463 0.000 0.632 259 G HN 0.684 nan 8.290 nan 0.000 0.511 260 E N 0.739 120.917 120.200 -0.036 0.000 2.283 260 E HA 0.595 4.946 4.350 0.002 0.000 0.271 260 E C 0.048 176.557 176.600 -0.151 0.000 1.031 260 E CA 0.125 56.499 56.400 -0.042 0.000 0.868 260 E CB 1.476 31.217 29.700 0.067 0.000 1.094 260 E HN 0.516 nan 8.360 nan 0.000 0.401 261 S N 1.234 116.768 115.700 -0.277 0.000 2.536 261 S HA 0.602 5.074 4.470 0.002 0.000 0.287 261 S C -1.307 172.994 174.600 -0.498 0.000 1.101 261 S CA -0.834 57.196 58.200 -0.283 0.000 0.950 261 S CB 0.751 63.837 63.200 -0.191 0.000 1.056 261 S HN 0.426 nan 8.310 nan 0.000 0.481 262 Y N 0.109 120.319 120.300 -0.149 0.000 2.576 262 Y HA 0.706 5.257 4.550 0.002 0.000 0.346 262 Y C 0.066 175.846 175.900 -0.199 0.000 1.018 262 Y CA -0.740 57.276 58.100 -0.139 0.000 1.050 262 Y CB 2.779 41.173 38.460 -0.111 0.000 1.280 262 Y HN 0.775 nan 8.280 nan 0.000 0.474 263 S N 1.185 116.873 115.700 -0.021 0.000 2.561 263 S HA 0.667 5.139 4.470 0.002 0.000 0.303 263 S C -1.272 173.230 174.600 -0.162 0.000 1.110 263 S CA -0.656 57.465 58.200 -0.131 0.000 1.034 263 S CB 1.616 64.728 63.200 -0.146 0.000 1.010 263 S HN 0.359 nan 8.310 nan 0.000 0.482 264 V N 3.867 123.662 119.914 -0.198 0.000 2.715 264 V HA 0.605 4.726 4.120 0.002 0.000 0.310 264 V C -1.078 174.894 176.094 -0.204 0.000 1.054 264 V CA -0.699 61.480 62.300 -0.201 0.000 0.928 264 V CB 1.878 33.605 31.823 -0.161 0.000 1.007 264 V HN 0.678 nan 8.190 nan 0.000 0.437 265 L N 5.281 126.393 121.223 -0.185 0.000 2.334 265 L HA 0.718 5.059 4.340 0.002 0.000 0.276 265 L C -0.325 176.546 176.870 0.002 0.000 1.014 265 L CA -0.038 54.734 54.840 -0.113 0.000 0.815 265 L CB 1.709 43.688 42.059 -0.132 0.000 1.268 265 L HN 0.639 nan 8.230 nan 0.000 0.428 266 I N -1.998 118.616 120.570 0.075 0.000 3.074 266 I HA 0.829 5.000 4.170 0.002 0.000 0.310 266 I C -0.744 175.482 176.117 0.181 0.000 1.153 266 I CA -0.460 60.931 61.300 0.152 0.000 0.993 266 I CB 2.601 40.696 38.000 0.158 0.000 1.237 266 I HN 0.390 nan 8.210 nan 0.000 0.443 267 T N 0.899 115.583 114.554 0.216 0.000 2.848 267 T HA 0.392 4.744 4.350 0.002 0.000 0.285 267 T C -0.054 174.802 174.700 0.261 0.000 0.995 267 T CA -0.558 61.658 62.100 0.194 0.000 0.970 267 T CB 1.485 70.441 68.868 0.147 0.000 0.976 267 T HN 0.796 nan 8.240 nan 0.000 0.441 268 T N -0.073 114.620 114.554 0.231 0.000 4.098 268 T HA 0.178 4.529 4.350 0.002 0.000 0.291 268 T C 0.510 175.392 174.700 0.303 0.000 1.440 268 T CA -0.785 61.468 62.100 0.256 0.000 1.164 268 T CB -0.515 68.336 68.868 -0.028 0.000 1.313 268 T HN 0.626 nan 8.240 nan 0.000 0.951 269 D N -0.041 120.515 120.400 0.260 0.000 2.427 269 D HA 0.077 4.719 4.640 0.002 0.000 0.224 269 D C 0.445 176.811 176.300 0.111 0.000 1.157 269 D CA -0.303 53.792 54.000 0.158 0.000 0.828 269 D CB 0.287 41.135 40.800 0.081 0.000 0.974 269 D HN 0.309 nan 8.370 nan 0.000 0.498 270 Q N 0.150 120.050 119.800 0.167 0.000 2.427 270 Q HA 0.216 4.557 4.340 0.002 0.000 0.232 270 Q C 0.093 176.127 176.000 0.058 0.000 1.018 270 Q CA -0.766 55.035 55.803 -0.004 0.000 0.965 270 Q CB 0.398 28.962 28.738 -0.289 0.000 1.232 270 Q HN 0.106 nan 8.270 nan 0.000 0.510 271 N N 2.151 120.876 118.700 0.042 0.000 2.434 271 N HA -0.006 4.736 4.740 0.002 0.000 0.268 271 N C -1.993 173.477 175.510 -0.068 0.000 1.256 271 N CA -0.739 52.322 53.050 0.018 0.000 0.914 271 N CB 0.654 39.147 38.487 0.009 0.000 1.088 271 N HN 0.129 nan 8.380 nan 0.000 0.478 272 P HA 0.075 nan 4.420 nan 0.000 0.242 272 P C 0.326 177.643 177.300 0.029 0.000 1.197 272 P CA 0.564 63.723 63.100 0.097 0.000 0.765 272 P CB 0.390 32.219 31.700 0.214 0.000 0.936 273 S N -0.747 114.929 115.700 -0.039 0.000 2.575 273 S HA 0.065 4.536 4.470 0.002 0.000 0.215 273 S C 0.636 175.161 174.600 -0.125 0.000 0.966 273 S CA -0.118 58.053 58.200 -0.049 0.000 0.911 273 S CB -0.377 62.801 63.200 -0.037 0.000 0.780 273 S HN 0.384 nan 8.310 nan 0.000 0.514 274 E N 0.362 120.415 120.200 -0.244 0.000 2.410 274 E HA 0.461 4.813 4.350 0.002 0.000 0.269 274 E C -1.335 174.951 176.600 -0.525 0.000 0.937 274 E CA -1.103 55.069 56.400 -0.379 0.000 0.793 274 E CB 0.873 30.293 29.700 -0.467 0.000 1.314 274 E HN -0.125 nan 8.360 nan 0.000 0.447 275 N N -0.170 118.216 118.700 -0.523 0.000 2.477 275 N HA 0.413 5.154 4.740 0.002 0.000 0.284 275 N C -1.345 173.722 175.510 -0.739 0.000 1.182 275 N CA -0.235 52.559 53.050 -0.426 0.000 0.949 275 N CB 0.840 39.145 38.487 -0.304 0.000 1.204 275 N HN 0.404 nan 8.380 nan 0.000 0.526 276 Y N -1.178 118.992 120.300 -0.215 0.000 2.553 276 Y HA 0.343 4.894 4.550 0.002 0.000 0.347 276 Y C -0.596 175.171 175.900 -0.222 0.000 1.019 276 Y CA -0.828 57.166 58.100 -0.177 0.000 1.032 276 Y CB 1.332 39.801 38.460 0.015 0.000 1.284 276 Y HN 0.420 nan 8.280 nan 0.000 0.466 277 W N 1.795 123.145 121.300 0.083 0.000 2.315 277 W HA 0.611 5.273 4.660 0.003 0.000 0.316 277 W C -0.914 175.543 176.519 -0.104 0.000 1.211 277 W CA -0.605 56.716 57.345 -0.040 0.000 1.201 277 W CB 1.082 30.493 29.460 -0.082 0.000 1.184 277 W HN 0.073 nan 8.180 nan 0.000 0.544 278 V N 3.378 123.378 119.914 0.143 0.000 2.417 278 V HA 0.440 4.561 4.120 0.002 0.000 0.291 278 V C -0.240 175.785 176.094 -0.115 0.000 1.024 278 V CA -0.705 61.524 62.300 -0.117 0.000 0.861 278 V CB 1.434 33.121 31.823 -0.227 0.000 0.985 278 V HN 0.480 nan 8.190 nan 0.000 0.436 279 S N 3.585 119.136 115.700 -0.249 0.000 2.594 279 S HA 0.697 5.168 4.470 0.002 0.000 0.296 279 S C -0.989 173.472 174.600 -0.232 0.000 1.124 279 S CA -0.425 57.648 58.200 -0.212 0.000 1.011 279 S CB 1.593 64.665 63.200 -0.214 0.000 1.016 279 S HN 0.453 nan 8.310 nan 0.000 0.485 280 V N 4.510 124.348 119.914 -0.128 0.000 2.326 280 V HA 0.714 4.836 4.120 0.002 0.000 0.281 280 V C 0.761 176.805 176.094 -0.083 0.000 1.015 280 V CA -0.367 61.896 62.300 -0.062 0.000 0.823 280 V CB 1.064 32.902 31.823 0.024 0.000 1.009 280 V HN 0.904 nan 8.190 nan 0.000 0.436 281 G N 2.589 111.332 108.800 -0.095 0.000 2.473 281 G HA2 0.600 4.561 3.960 0.002 0.000 0.321 281 G HA3 0.600 4.561 3.960 0.002 0.000 0.321 281 G C -0.380 174.472 174.900 -0.080 0.000 1.200 281 G CA -0.506 44.538 45.100 -0.093 0.000 0.963 281 G HN 0.495 nan 8.290 nan 0.000 0.483 282 T N 1.635 116.147 114.554 -0.070 0.000 2.869 282 T HA 0.523 4.874 4.350 0.002 0.000 0.295 282 T C 0.243 174.935 174.700 -0.013 0.000 0.987 282 T CA -0.052 62.016 62.100 -0.053 0.000 1.109 282 T CB 0.795 69.626 68.868 -0.061 0.000 0.932 282 T HN 0.394 nan 8.240 nan 0.000 0.518 283 R N 0.748 121.256 120.500 0.015 0.000 2.831 283 R HA 0.664 5.005 4.340 0.002 0.000 0.266 283 R C 0.416 176.826 176.300 0.183 0.000 1.051 283 R CA -0.467 55.691 56.100 0.096 0.000 0.943 283 R CB 1.366 31.675 30.300 0.016 0.000 1.228 283 R HN 0.721 nan 8.270 nan 0.000 0.467 284 A N 0.277 123.290 122.820 0.323 0.000 3.661 284 A HA -0.256 4.066 4.320 0.002 0.000 0.269 284 A C -0.025 177.911 177.584 0.586 0.000 1.056 284 A CA 1.835 54.182 52.037 0.516 0.000 1.159 284 A CB -0.928 18.373 19.000 0.502 0.000 1.105 284 A HN 0.650 nan 8.150 nan 0.000 0.907 285 R N -1.930 118.760 120.500 0.317 0.000 2.698 285 R HA 0.485 4.827 4.340 0.002 0.000 0.275 285 R C -0.442 175.401 176.300 -0.763 0.000 1.001 285 R CA -0.701 55.333 56.100 -0.111 0.000 0.896 285 R CB 1.002 31.295 30.300 -0.013 0.000 1.218 285 R HN 0.500 nan 8.270 nan 0.000 0.462 286 H N 3.294 121.432 119.070 -1.553 0.000 3.187 286 H HA 0.049 4.606 4.556 0.002 0.000 0.286 286 H C -1.985 172.964 175.328 -0.632 0.000 0.944 286 H CA -0.616 54.531 56.048 -1.503 0.000 1.429 286 H CB 0.567 29.806 29.762 -0.872 0.000 1.483 286 H HN 0.148 nan 8.280 nan 0.000 0.555 287 P HA 0.038 nan 4.420 nan 0.000 0.271 287 P C -0.178 177.100 177.300 -0.036 0.000 1.216 287 P CA -0.038 62.956 63.100 -0.177 0.000 0.776 287 P CB 0.667 32.272 31.700 -0.158 0.000 0.881 288 N N 0.224 118.902 118.700 -0.037 0.000 2.036 288 N HA 0.052 4.793 4.740 0.002 0.000 0.228 288 N C -0.869 174.608 175.510 -0.056 0.000 1.368 288 N CA 0.050 53.088 53.050 -0.020 0.000 0.846 288 N CB 0.742 39.228 38.487 -0.003 0.000 1.145 288 N HN 0.280 nan 8.380 nan 0.000 0.502 289 T N 2.045 116.551 114.554 -0.079 0.000 2.797 289 T HA 0.464 4.816 4.350 0.002 0.000 0.279 289 T C -2.578 172.069 174.700 -0.089 0.000 0.991 289 T CA -0.911 61.132 62.100 -0.095 0.000 0.979 289 T CB 2.064 70.856 68.868 -0.128 0.000 0.943 289 T HN 0.013 nan 8.240 nan 0.000 0.444 290 P HA 0.230 nan 4.420 nan 0.000 0.269 290 P C -2.306 174.939 177.300 -0.091 0.000 1.215 290 P CA -1.087 61.956 63.100 -0.095 0.000 0.780 290 P CB -0.167 31.471 31.700 -0.104 0.000 0.898 291 P HA 0.110 nan 4.420 nan 0.000 0.274 291 P C -0.068 177.177 177.300 -0.092 0.000 1.231 291 P CA -0.085 62.951 63.100 -0.107 0.000 0.790 291 P CB 0.630 32.248 31.700 -0.137 0.000 0.951 292 G N 2.332 111.090 108.800 -0.071 0.000 2.380 292 G HA2 0.505 4.466 3.960 0.002 0.000 0.262 292 G HA3 0.505 4.466 3.960 0.002 0.000 0.262 292 G C -0.639 174.224 174.900 -0.061 0.000 1.243 292 G CA -0.452 44.621 45.100 -0.045 0.000 0.865 292 G HN 0.420 nan 8.290 nan 0.000 0.513 293 L N 1.228 122.426 121.223 -0.042 0.000 2.388 293 L HA 0.786 5.128 4.340 0.002 0.000 0.264 293 L C 0.224 177.124 176.870 0.049 0.000 0.998 293 L CA -0.744 54.085 54.840 -0.018 0.000 0.817 293 L CB 2.770 44.779 42.059 -0.082 0.000 1.338 293 L HN 0.655 nan 8.230 nan 0.000 0.414 294 T N 1.041 115.637 114.554 0.070 0.000 2.671 294 T HA 0.638 4.990 4.350 0.002 0.000 0.300 294 T C -1.819 172.878 174.700 -0.006 0.000 1.238 294 T CA -0.428 61.670 62.100 -0.003 0.000 1.020 294 T CB 1.302 70.042 68.868 -0.212 0.000 1.503 294 T HN 0.363 nan 8.240 nan 0.000 0.497 295 L N 2.061 123.176 121.223 -0.179 0.000 2.334 295 L HA 0.638 4.980 4.340 0.002 0.000 0.276 295 L C -0.845 175.897 176.870 -0.213 0.000 1.014 295 L CA -1.105 53.594 54.840 -0.236 0.000 0.815 295 L CB 1.792 43.679 42.059 -0.286 0.000 1.268 295 L HN 0.481 nan 8.230 nan 0.000 0.428 296 L N 4.221 125.391 121.223 -0.089 0.000 2.302 296 L HA 0.248 4.589 4.340 0.002 0.000 0.285 296 L C 0.177 177.112 176.870 0.109 0.000 1.090 296 L CA 0.329 55.197 54.840 0.046 0.000 0.866 296 L CB 0.152 42.277 42.059 0.111 0.000 1.244 296 L HN 0.523 nan 8.230 nan 0.000 0.435 297 N N 3.982 122.704 118.700 0.037 0.000 2.415 297 N HA 0.023 4.765 4.740 0.002 0.000 0.246 297 N C -1.133 174.500 175.510 0.205 0.000 1.078 297 N CA -0.529 52.577 53.050 0.093 0.000 0.942 297 N CB 0.369 38.873 38.487 0.028 0.000 1.140 297 N HN 0.417 nan 8.380 nan 0.000 0.501 298 Y N 3.950 124.289 120.300 0.065 0.000 2.584 298 Y HA 0.134 4.686 4.550 0.002 0.000 0.351 298 Y C 0.589 176.534 175.900 0.075 0.000 1.030 298 Y CA -0.183 57.974 58.100 0.095 0.000 1.332 298 Y CB 0.400 38.939 38.460 0.132 0.000 1.148 298 Y HN 0.352 nan 8.280 nan 0.000 0.528 299 L N 7.339 128.654 121.223 0.154 0.000 2.453 299 L HA 0.092 4.434 4.340 0.002 0.000 0.272 299 L C -1.217 175.720 176.870 0.112 0.000 1.182 299 L CA -1.116 53.788 54.840 0.107 0.000 0.858 299 L CB 0.614 42.708 42.059 0.059 0.000 1.120 299 L HN 0.505 nan 8.230 nan 0.000 0.474 300 P HA 0.070 nan 4.420 nan 0.000 0.263 300 P C -0.492 176.835 177.300 0.046 0.000 1.448 300 P CA -0.275 62.856 63.100 0.052 0.000 0.983 300 P CB 0.240 31.962 31.700 0.036 0.000 1.481 301 N N 1.017 119.755 118.700 0.063 0.000 2.454 301 N HA -0.018 4.723 4.740 0.002 0.000 0.260 301 N C 0.401 175.923 175.510 0.021 0.000 1.218 301 N CA 0.522 53.591 53.050 0.032 0.000 0.904 301 N CB 0.485 38.985 38.487 0.022 0.000 1.065 301 N HN 0.070 nan 8.380 nan 0.000 0.462 302 S N 1.051 116.751 115.700 -0.000 0.000 2.552 302 S HA -0.034 4.437 4.470 0.002 0.000 0.289 302 S C 1.472 176.062 174.600 -0.016 0.000 1.304 302 S CA -0.512 57.685 58.200 -0.005 0.000 1.063 302 S CB 0.625 63.816 63.200 -0.016 0.000 0.848 302 S HN 0.393 nan 8.310 nan 0.000 0.499 303 V N 4.647 124.560 119.914 -0.002 0.000 2.913 303 V HA -0.060 4.061 4.120 0.002 0.000 0.260 303 V C 1.941 177.999 176.094 -0.060 0.000 1.098 303 V CA 2.239 64.525 62.300 -0.024 0.000 1.121 303 V CB -0.566 31.270 31.823 0.020 0.000 0.714 303 V HN 1.006 nan 8.190 nan 0.000 0.487 304 S N -1.021 114.653 115.700 -0.043 0.000 2.603 304 S HA 0.051 4.523 4.470 0.002 0.000 0.220 304 S C 0.954 175.514 174.600 -0.068 0.000 0.967 304 S CA 0.004 58.175 58.200 -0.049 0.000 0.920 304 S CB -0.307 62.875 63.200 -0.029 0.000 0.773 304 S HN 0.606 nan 8.310 nan 0.000 0.529 305 K N 1.775 122.125 120.400 -0.084 0.000 2.250 305 K HA 0.284 4.605 4.320 0.002 0.000 0.285 305 K C -0.779 175.723 176.600 -0.162 0.000 1.097 305 K CA -0.635 55.591 56.287 -0.101 0.000 0.913 305 K CB 0.070 32.516 32.500 -0.091 0.000 1.179 305 K HN 0.090 nan 8.250 nan 0.000 0.462 306 L N 5.636 126.774 121.223 -0.141 0.000 2.473 306 L HA 0.231 4.573 4.340 0.002 0.000 0.268 306 L C -1.990 174.764 176.870 -0.193 0.000 1.215 306 L CA -1.687 53.045 54.840 -0.180 0.000 0.823 306 L CB 0.039 42.076 42.059 -0.036 0.000 1.099 306 L HN 0.597 nan 8.230 nan 0.000 0.483 307 P HA 0.133 nan 4.420 nan 0.000 0.272 307 P C 0.448 177.768 177.300 0.034 0.000 1.223 307 P CA -0.117 62.836 63.100 -0.245 0.000 0.784 307 P CB 0.448 31.864 31.700 -0.473 0.000 0.923 308 T N -2.581 111.951 114.554 -0.036 0.000 2.904 308 T HA 0.005 4.356 4.350 0.002 0.000 0.267 308 T C 0.829 175.592 174.700 0.105 0.000 1.059 308 T CA 0.749 62.879 62.100 0.050 0.000 1.137 308 T CB -0.284 68.574 68.868 -0.016 0.000 0.879 308 T HN 0.240 nan 8.240 nan 0.000 0.467 309 S N 2.570 118.294 115.700 0.041 0.000 2.654 309 S HA 0.533 5.005 4.470 0.002 0.000 0.283 309 S C -2.527 171.902 174.600 -0.284 0.000 1.180 309 S CA -1.286 56.888 58.200 -0.043 0.000 1.021 309 S CB 1.372 64.572 63.200 -0.001 0.000 1.018 309 S HN 0.178 nan 8.310 nan 0.000 0.532 310 P HA 0.245 nan 4.420 nan 0.000 0.271 310 P C -2.580 174.411 177.300 -0.515 0.000 1.233 310 P CA -1.073 61.462 63.100 -0.941 0.000 0.789 310 P CB -0.475 30.876 31.700 -0.581 0.000 0.951 311 P HA 0.096 nan 4.420 nan 0.000 0.269 311 P C -2.143 174.999 177.300 -0.264 0.000 1.209 311 P CA -0.889 61.899 63.100 -0.520 0.000 0.776 311 P CB -1.117 30.141 31.700 -0.738 0.000 0.876 312 P HA -0.045 nan 4.420 nan 0.000 0.261 312 P C -0.270 176.939 177.300 -0.150 0.000 1.183 312 P CA 0.173 63.198 63.100 -0.125 0.000 0.761 312 P CB 0.352 31.991 31.700 -0.101 0.000 0.785 313 Q N 2.856 122.578 119.800 -0.130 0.000 2.300 313 Q HA 0.078 4.419 4.340 0.002 0.000 0.280 313 Q C -0.362 175.573 176.000 -0.110 0.000 1.033 313 Q CA 0.680 56.410 55.803 -0.120 0.000 0.903 313 Q CB -0.075 28.604 28.738 -0.098 0.000 1.195 313 Q HN 0.390 nan 8.270 nan 0.000 0.386 314 T N 7.175 121.665 114.554 -0.107 0.000 2.901 314 T HA 0.259 4.610 4.350 0.002 0.000 0.301 314 T C -2.132 172.518 174.700 -0.083 0.000 1.012 314 T CA -0.893 61.149 62.100 -0.098 0.000 1.135 314 T CB 0.392 69.207 68.868 -0.090 0.000 0.936 314 T HN 0.582 nan 8.240 nan 0.000 0.539 315 P HA 0.176 nan 4.420 nan 0.000 0.265 315 P C -0.624 176.622 177.300 -0.088 0.000 1.187 315 P CA -0.273 62.773 63.100 -0.090 0.000 0.766 315 P CB 0.252 31.894 31.700 -0.095 0.000 0.820 316 A N 4.899 127.650 122.820 -0.115 0.000 2.561 316 A HA -0.049 4.272 4.320 0.002 0.000 0.251 316 A C 1.526 178.982 177.584 -0.212 0.000 1.062 316 A CA -0.320 51.629 52.037 -0.148 0.000 0.761 316 A CB -0.566 18.307 19.000 -0.210 0.000 0.986 316 A HN 0.905 nan 8.150 nan 0.000 0.510 317 W N 3.510 124.694 121.300 -0.192 0.000 2.321 317 W HA -0.217 4.444 4.660 0.002 0.000 0.285 317 W C -0.027 176.277 176.519 -0.358 0.000 1.213 317 W CA 1.496 58.715 57.345 -0.210 0.000 1.205 317 W CB -0.493 28.873 29.460 -0.156 0.000 1.134 317 W HN 0.769 nan 8.180 nan 0.000 0.549 318 D N -0.262 119.365 120.400 -1.288 0.000 2.402 318 D HA -0.021 4.621 4.640 0.002 0.000 0.216 318 D C -0.152 175.523 176.300 -1.042 0.000 1.128 318 D CA -0.182 52.902 54.000 -1.527 0.000 0.833 318 D CB -0.873 38.869 40.800 -1.763 0.000 0.971 318 D HN -0.089 nan 8.370 nan 0.000 0.503 319 D N 0.407 120.381 120.400 -0.711 0.000 2.517 319 D HA 0.033 4.675 4.640 0.002 0.000 0.220 319 D C 0.171 176.253 176.300 -0.363 0.000 1.158 319 D CA -0.510 53.247 54.000 -0.406 0.000 0.992 319 D CB -0.330 40.311 40.800 -0.265 0.000 1.058 319 D HN -0.045 nan 8.370 nan 0.000 0.516 320 F N 0.778 120.682 119.950 -0.077 0.000 2.407 320 F HA -0.069 4.460 4.527 0.003 0.000 0.299 320 F C 2.071 177.758 175.800 -0.188 0.000 1.097 320 F CA 0.418 58.394 58.000 -0.039 0.000 1.422 320 F CB 0.090 39.106 39.000 0.027 0.000 1.067 320 F HN 0.247 nan 8.300 nan 0.000 0.539 321 D N -0.172 120.202 120.400 -0.044 0.000 2.144 321 D HA -0.144 4.498 4.640 0.002 0.000 0.200 321 D C 2.366 178.567 176.300 -0.165 0.000 0.978 321 D CA 0.798 54.709 54.000 -0.149 0.000 0.833 321 D CB -0.321 40.416 40.800 -0.104 0.000 0.961 321 D HN 0.237 nan 8.370 nan 0.000 0.470 322 R N 0.855 121.287 120.500 -0.114 0.000 2.075 322 R HA -0.086 4.255 4.340 0.002 0.000 0.232 322 R C 2.249 178.528 176.300 -0.035 0.000 1.126 322 R CA 1.304 57.356 56.100 -0.079 0.000 0.963 322 R CB 0.069 30.322 30.300 -0.079 0.000 0.858 322 R HN -0.012 nan 8.270 nan 0.000 0.435 323 S N 0.956 116.657 115.700 0.001 0.000 2.359 323 S HA -0.150 4.321 4.470 0.002 0.000 0.224 323 S C 1.720 176.349 174.600 0.049 0.000 1.035 323 S CA 1.553 59.855 58.200 0.171 0.000 1.018 323 S CB -0.161 63.278 63.200 0.398 0.000 0.876 323 S HN 0.389 nan 8.310 nan 0.000 0.448 324 K N 1.130 121.286 120.400 -0.406 0.000 2.097 324 K HA -0.051 4.270 4.320 0.002 0.000 0.205 324 K C 2.074 178.211 176.600 -0.770 0.000 1.050 324 K CA 1.197 56.906 56.287 -0.964 0.000 0.938 324 K CB -0.254 31.428 32.500 -1.363 0.000 0.718 324 K HN 0.337 nan 8.250 nan 0.000 0.442 325 N N 0.214 118.666 118.700 -0.412 0.000 2.104 325 N HA -0.201 4.541 4.740 0.002 0.000 0.190 325 N C 1.666 177.122 175.510 -0.089 0.000 1.024 325 N CA 1.023 53.934 53.050 -0.232 0.000 0.853 325 N CB -0.071 38.342 38.487 -0.122 0.000 1.008 325 N HN 0.114 nan 8.380 nan 0.000 0.424 326 F N 1.044 120.948 119.950 -0.077 0.000 2.060 326 F HA -0.089 4.440 4.527 0.002 0.000 0.295 326 F C 2.287 178.132 175.800 0.076 0.000 1.120 326 F CA 1.524 59.544 58.000 0.033 0.000 1.205 326 F CB -0.996 38.062 39.000 0.096 0.000 0.986 326 F HN -0.046 nan 8.300 nan 0.000 0.470 327 T N -0.054 114.519 114.554 0.032 0.000 2.759 327 T HA -0.226 4.125 4.350 0.002 0.000 0.269 327 T C 1.707 176.448 174.700 0.068 0.000 1.042 327 T CA 1.763 63.905 62.100 0.069 0.000 1.140 327 T CB -0.604 68.470 68.868 0.343 0.000 0.864 327 T HN 0.275 nan 8.240 nan 0.000 0.455 328 Y N 1.095 121.248 120.300 -0.245 0.000 2.373 328 Y HA 0.155 4.706 4.550 0.002 0.000 0.293 328 Y C 2.430 178.226 175.900 -0.174 0.000 1.129 328 Y CA -0.211 57.779 58.100 -0.183 0.000 1.226 328 Y CB -0.634 37.720 38.460 -0.177 0.000 1.000 328 Y HN 0.098 nan 8.280 nan 0.000 0.549 329 R N 0.489 120.893 120.500 -0.160 0.000 2.293 329 R HA -0.034 4.307 4.340 0.002 0.000 0.219 329 R C -0.044 176.005 176.300 -0.418 0.000 1.091 329 R CA 0.242 56.098 56.100 -0.406 0.000 1.004 329 R CB -0.437 29.427 30.300 -0.727 0.000 0.865 329 R HN 0.169 nan 8.270 nan 0.000 0.469 330 I N 1.878 122.337 120.570 -0.184 0.000 2.379 330 I HA 0.058 4.229 4.170 0.002 0.000 0.290 330 I C 0.071 176.249 176.117 0.103 0.000 1.063 330 I CA 0.001 61.323 61.300 0.036 0.000 1.351 330 I CB 1.392 39.477 38.000 0.141 0.000 1.410 330 I HN 0.111 nan 8.210 nan 0.000 0.505 331 T N 2.743 117.375 114.554 0.129 0.000 2.901 331 T HA 0.766 5.118 4.350 0.002 0.000 0.293 331 T C -0.238 174.560 174.700 0.162 0.000 1.084 331 T CA -1.037 61.143 62.100 0.132 0.000 1.008 331 T CB 1.693 70.616 68.868 0.091 0.000 1.170 331 T HN 0.547 nan 8.240 nan 0.000 0.509 332 A N 1.147 124.067 122.820 0.166 0.000 2.462 332 A HA 0.662 4.983 4.320 0.002 0.000 0.243 332 A C 0.932 178.613 177.584 0.162 0.000 1.076 332 A CA -0.216 51.928 52.037 0.178 0.000 0.773 332 A CB -0.713 18.408 19.000 0.202 0.000 1.010 332 A HN 1.539 nan 8.150 nan 0.000 0.493 333 A N 2.665 125.592 122.820 0.177 0.000 2.483 333 A HA 0.403 4.724 4.320 0.002 0.000 0.238 333 A C 0.698 178.359 177.584 0.129 0.000 1.070 333 A CA -0.164 51.967 52.037 0.157 0.000 0.770 333 A CB -0.208 18.902 19.000 0.182 0.000 1.008 333 A HN 1.072 nan 8.150 nan 0.000 0.497 334 M N 2.529 122.189 119.600 0.100 0.000 2.408 334 M HA 0.264 4.746 4.480 0.002 0.000 0.363 334 M C 1.246 177.592 176.300 0.077 0.000 1.636 334 M CA 2.216 57.564 55.300 0.080 0.000 1.029 334 M CB -0.462 32.177 32.600 0.064 0.000 2.068 334 M HN 1.481 nan 8.290 nan 0.000 0.466 335 G N 2.299 111.147 108.800 0.080 0.000 2.211 335 G HA2 -0.184 3.777 3.960 0.002 0.000 0.201 335 G HA3 -0.184 3.777 3.960 0.002 0.000 0.201 335 G C 0.098 175.059 174.900 0.102 0.000 0.997 335 G CA 0.033 45.179 45.100 0.077 0.000 0.652 335 G HN 0.673 nan 8.290 nan 0.000 0.500 336 S N 1.921 117.700 115.700 0.132 0.000 2.584 336 S HA 0.473 4.945 4.470 0.002 0.000 0.270 336 S C -1.898 172.812 174.600 0.184 0.000 1.346 336 S CA -0.387 57.914 58.200 0.170 0.000 1.018 336 S CB 0.754 64.075 63.200 0.201 0.000 0.899 336 S HN 0.278 nan 8.310 nan 0.000 0.542 337 P HA 0.112 nan 4.420 nan 0.000 0.263 337 P C -0.533 176.980 177.300 0.355 0.000 1.195 337 P CA 0.240 63.515 63.100 0.291 0.000 0.762 337 P CB 0.267 32.188 31.700 0.368 0.000 0.799 338 K N 5.024 125.477 120.400 0.088 0.000 2.118 338 K HA 0.354 4.676 4.320 0.002 0.000 0.267 338 K C -2.062 174.159 176.600 -0.633 0.000 0.991 338 K CA -1.825 54.355 56.287 -0.179 0.000 0.916 338 K CB 0.289 32.713 32.500 -0.127 0.000 1.041 338 K HN 0.383 nan 8.250 nan 0.000 0.455 339 P HA 0.108 nan 4.420 nan 0.000 0.269 339 P C -2.584 174.346 177.300 -0.616 0.000 1.215 339 P CA -1.199 61.075 63.100 -1.378 0.000 0.780 339 P CB -0.480 30.593 31.700 -1.045 0.000 0.898 340 P HA -0.083 nan 4.420 nan 0.000 0.264 340 P C 1.214 178.404 177.300 -0.184 0.000 1.183 340 P CA 0.126 63.098 63.100 -0.213 0.000 0.763 340 P CB 0.139 31.762 31.700 -0.129 0.000 0.807 341 V N 0.795 120.629 119.914 -0.134 0.000 2.788 341 V HA -0.035 4.087 4.120 0.002 0.000 0.251 341 V C 0.634 176.685 176.094 -0.072 0.000 1.068 341 V CA 1.205 63.445 62.300 -0.099 0.000 1.090 341 V CB -1.236 30.536 31.823 -0.086 0.000 0.710 341 V HN 0.483 nan 8.190 nan 0.000 0.467 342 K N 1.791 122.132 120.400 -0.098 0.000 2.156 342 K HA 0.646 4.968 4.320 0.002 0.000 0.254 342 K C -0.606 175.922 176.600 -0.120 0.000 0.950 342 K CA -0.718 55.468 56.287 -0.168 0.000 0.849 342 K CB 1.404 33.783 32.500 -0.201 0.000 1.100 342 K HN 0.357 nan 8.250 nan 0.000 0.434 343 F N -0.208 119.678 119.950 -0.106 0.000 2.497 343 F HA 0.552 5.081 4.527 0.002 0.000 0.331 343 F C 0.018 175.747 175.800 -0.118 0.000 1.060 343 F CA -1.033 56.885 58.000 -0.137 0.000 0.989 343 F CB 1.385 40.288 39.000 -0.162 0.000 1.245 343 F HN 0.601 nan 8.300 nan 0.000 0.486 344 N N -0.801 117.971 118.700 0.121 0.000 2.332 344 N HA 0.172 4.914 4.740 0.002 0.000 0.190 344 N C -0.629 174.959 175.510 0.131 0.000 1.117 344 N CA -0.304 52.771 53.050 0.040 0.000 0.883 344 N CB 0.512 38.990 38.487 -0.016 0.000 1.089 344 N HN 0.568 nan 8.380 nan 0.000 0.480 345 R N 0.718 121.311 120.500 0.157 0.000 2.584 345 R HA 0.413 4.755 4.340 0.002 0.000 0.276 345 R C -1.850 174.380 176.300 -0.116 0.000 1.046 345 R CA -0.734 55.404 56.100 0.063 0.000 0.906 345 R CB 1.374 31.667 30.300 -0.013 0.000 1.215 345 R HN -0.085 nan 8.270 nan 0.000 0.449 346 R N 4.852 125.252 120.500 -0.168 0.000 2.561 346 R HA 0.568 4.910 4.340 0.002 0.000 0.297 346 R C -1.180 174.933 176.300 -0.312 0.000 0.969 346 R CA -0.549 55.262 56.100 -0.483 0.000 0.879 346 R CB 1.183 31.063 30.300 -0.702 0.000 1.178 346 R HN 0.655 nan 8.270 nan 0.000 0.445 347 I N 4.229 124.536 120.570 -0.438 0.000 2.569 347 I HA 0.414 4.585 4.170 0.002 0.000 0.296 347 I C -1.096 174.754 176.117 -0.445 0.000 1.028 347 I CA -0.893 60.275 61.300 -0.221 0.000 1.082 347 I CB 1.923 39.833 38.000 -0.151 0.000 1.264 347 I HN 0.507 nan 8.210 nan 0.000 0.429 348 F N 5.935 125.878 119.950 -0.013 0.000 2.449 348 F HA 0.512 5.041 4.527 0.003 0.000 0.342 348 F C -0.383 175.525 175.800 0.181 0.000 1.127 348 F CA -0.532 57.507 58.000 0.066 0.000 0.975 348 F CB 1.306 40.345 39.000 0.064 0.000 1.146 348 F HN 0.063 nan 8.300 nan 0.000 0.444 349 L N 5.437 126.774 121.223 0.190 0.000 2.318 349 L HA 0.421 4.762 4.340 0.002 0.000 0.277 349 L C -0.758 176.083 176.870 -0.048 0.000 1.008 349 L CA -0.909 53.971 54.840 0.067 0.000 0.846 349 L CB 1.462 43.441 42.059 -0.135 0.000 1.220 349 L HN 0.448 nan 8.230 nan 0.000 0.423 350 L N 4.530 125.669 121.223 -0.139 0.000 2.331 350 L HA 0.284 4.625 4.340 0.002 0.000 0.278 350 L C 0.005 176.747 176.870 -0.213 0.000 1.106 350 L CA 0.375 54.949 54.840 -0.444 0.000 0.824 350 L CB 0.572 42.089 42.059 -0.903 0.000 1.142 350 L HN 0.490 nan 8.230 nan 0.000 0.443 351 N N 3.744 122.354 118.700 -0.149 0.000 2.485 351 N HA 0.378 5.119 4.740 0.002 0.000 0.243 351 N C -1.007 174.536 175.510 0.054 0.000 0.987 351 N CA -0.264 52.780 53.050 -0.009 0.000 0.940 351 N CB 0.974 39.446 38.487 -0.026 0.000 1.122 351 N HN 0.733 nan 8.380 nan 0.000 0.509 352 T N -1.042 113.569 114.554 0.094 0.000 2.907 352 T HA 0.257 4.608 4.350 0.002 0.000 0.292 352 T C -0.456 174.209 174.700 -0.058 0.000 1.043 352 T CA -0.895 61.231 62.100 0.043 0.000 1.003 352 T CB 2.523 71.361 68.868 -0.049 0.000 1.084 352 T HN 0.312 nan 8.240 nan 0.000 0.483 353 Q N 1.403 120.942 119.800 -0.435 0.000 2.274 353 Q HA 0.444 4.785 4.340 0.002 0.000 0.256 353 Q C -0.937 174.800 176.000 -0.439 0.000 0.927 353 Q CA -0.393 54.836 55.803 -0.956 0.000 0.939 353 Q CB 0.538 28.525 28.738 -1.252 0.000 1.201 353 Q HN 0.727 nan 8.270 nan 0.000 0.426 354 N N 1.071 119.552 118.700 -0.366 0.000 2.701 354 N HA 0.561 5.302 4.740 0.002 0.000 0.290 354 N C -1.782 173.644 175.510 -0.139 0.000 1.338 354 N CA -0.657 52.286 53.050 -0.177 0.000 0.799 354 N CB 2.124 40.556 38.487 -0.091 0.000 1.491 354 N HN 0.231 nan 8.380 nan 0.000 0.540 355 V N 1.594 121.466 119.914 -0.069 0.000 2.340 355 V HA 0.415 4.536 4.120 0.002 0.000 0.277 355 V C -0.889 175.208 176.094 0.004 0.000 1.017 355 V CA -0.425 61.853 62.300 -0.036 0.000 0.820 355 V CB 0.262 32.058 31.823 -0.046 0.000 1.028 355 V HN 0.494 nan 8.190 nan 0.000 0.436 356 I N 4.044 124.644 120.570 0.049 0.000 2.312 356 I HA 0.392 4.563 4.170 0.002 0.000 0.290 356 I C 0.775 176.968 176.117 0.125 0.000 1.008 356 I CA -0.540 60.804 61.300 0.074 0.000 1.226 356 I CB 0.862 38.910 38.000 0.081 0.000 1.371 356 I HN 0.696 nan 8.210 nan 0.000 0.468 357 N N 5.045 123.785 118.700 0.068 0.000 2.727 357 N HA -0.213 4.529 4.740 0.002 0.000 0.249 357 N C 0.836 176.282 175.510 -0.107 0.000 1.048 357 N CA 1.201 54.274 53.050 0.039 0.000 0.714 357 N CB -0.586 37.981 38.487 0.132 0.000 0.959 357 N HN 1.129 nan 8.380 nan 0.000 0.544 358 G N -2.444 106.272 108.800 -0.140 0.000 2.299 358 G HA2 -0.361 3.601 3.960 0.002 0.000 0.237 358 G HA3 -0.361 3.601 3.960 0.002 0.000 0.237 358 G C -0.100 174.610 174.900 -0.316 0.000 1.027 358 G CA 0.372 45.311 45.100 -0.268 0.000 0.619 358 G HN 0.431 nan 8.290 nan 0.000 0.513 359 Y N 0.838 121.134 120.300 -0.007 0.000 2.316 359 Y HA 0.520 5.071 4.550 0.002 0.000 0.331 359 Y C 0.944 176.827 175.900 -0.027 0.000 1.083 359 Y CA -0.733 57.365 58.100 -0.004 0.000 1.206 359 Y CB 1.571 40.034 38.460 0.006 0.000 1.195 359 Y HN 0.069 nan 8.280 nan 0.000 0.497 360 V N 5.794 125.775 119.914 0.111 0.000 2.439 360 V HA 0.146 4.267 4.120 0.002 0.000 0.271 360 V C 0.103 176.194 176.094 -0.006 0.000 1.040 360 V CA -0.413 61.883 62.300 -0.008 0.000 1.002 360 V CB -0.335 31.460 31.823 -0.046 0.000 1.000 360 V HN 0.652 nan 8.190 nan 0.000 0.477 361 K N 3.354 123.712 120.400 -0.071 0.000 2.400 361 K HA 0.495 4.816 4.320 0.002 0.000 0.246 361 K C -1.250 175.253 176.600 -0.162 0.000 0.995 361 K CA -0.734 55.537 56.287 -0.027 0.000 0.840 361 K CB 2.435 34.954 32.500 0.032 0.000 1.293 361 K HN 0.490 nan 8.250 nan 0.000 0.445 362 W N 0.270 121.560 121.300 -0.018 0.000 2.512 362 W HA 0.558 5.220 4.660 0.004 0.000 0.335 362 W C -0.203 176.302 176.519 -0.024 0.000 1.088 362 W CA -0.186 57.127 57.345 -0.054 0.000 1.236 362 W CB 1.834 31.231 29.460 -0.104 0.000 1.307 362 W HN 0.633 nan 8.180 nan 0.000 0.567 363 A N 3.455 126.392 122.820 0.195 0.000 2.498 363 A HA 0.831 5.152 4.320 0.002 0.000 0.298 363 A C -1.702 175.964 177.584 0.136 0.000 1.075 363 A CA -0.668 51.448 52.037 0.131 0.000 0.714 363 A CB 1.210 20.247 19.000 0.060 0.000 1.299 363 A HN 0.420 nan 8.150 nan 0.000 0.407 364 I N 2.339 122.992 120.570 0.138 0.000 2.410 364 I HA 0.292 4.463 4.170 0.002 0.000 0.286 364 I C -0.242 175.951 176.117 0.127 0.000 1.009 364 I CA -0.430 60.956 61.300 0.142 0.000 1.111 364 I CB 0.751 38.886 38.000 0.224 0.000 1.262 364 I HN 0.742 nan 8.210 nan 0.000 0.443 365 N N 4.576 123.320 118.700 0.073 0.000 2.708 365 N HA -0.239 4.502 4.740 0.002 0.000 0.251 365 N C 0.185 175.742 175.510 0.078 0.000 1.017 365 N CA 1.169 54.273 53.050 0.091 0.000 0.742 365 N CB -0.817 37.785 38.487 0.191 0.000 0.943 365 N HN 0.667 nan 8.380 nan 0.000 0.539 366 D N -2.808 117.616 120.400 0.039 0.000 3.076 366 D HA -0.161 4.480 4.640 0.002 0.000 0.218 366 D C -0.859 175.479 176.300 0.063 0.000 1.156 366 D CA 1.047 55.072 54.000 0.041 0.000 0.921 366 D CB -0.908 39.916 40.800 0.041 0.000 1.113 366 D HN 0.302 nan 8.370 nan 0.000 0.418 367 V N 0.588 120.554 119.914 0.087 0.000 2.409 367 V HA 0.471 4.592 4.120 0.002 0.000 0.291 367 V C 0.337 176.493 176.094 0.104 0.000 1.020 367 V CA -0.648 61.707 62.300 0.092 0.000 0.848 367 V CB 1.958 33.843 31.823 0.105 0.000 0.990 367 V HN 0.115 nan 8.190 nan 0.000 0.430 368 S N 4.848 120.600 115.700 0.087 0.000 2.452 368 S HA 0.537 5.008 4.470 0.002 0.000 0.284 368 S C -0.490 174.158 174.600 0.080 0.000 1.171 368 S CA -0.519 57.734 58.200 0.089 0.000 1.064 368 S CB 0.617 63.858 63.200 0.070 0.000 0.967 368 S HN 0.586 nan 8.310 nan 0.000 0.484 369 L N 5.445 126.719 121.223 0.085 0.000 2.416 369 L HA 0.578 4.919 4.340 0.002 0.000 0.272 369 L C -0.017 176.879 176.870 0.042 0.000 1.161 369 L CA 0.509 55.397 54.840 0.080 0.000 0.845 369 L CB 0.603 42.713 42.059 0.086 0.000 1.119 369 L HN 0.722 nan 8.230 nan 0.000 0.464 370 A N 6.500 129.348 122.820 0.047 0.000 2.335 370 A HA 0.593 4.914 4.320 0.002 0.000 0.304 370 A C -0.907 176.695 177.584 0.030 0.000 1.118 370 A CA -0.628 51.415 52.037 0.010 0.000 0.757 370 A CB 0.576 19.578 19.000 0.002 0.000 1.188 370 A HN 0.694 nan 8.150 nan 0.000 0.460 371 L N 4.376 125.600 121.223 0.002 0.000 2.371 371 L HA 0.401 4.743 4.340 0.002 0.000 0.272 371 L C -1.558 175.265 176.870 -0.078 0.000 1.124 371 L CA -1.521 53.314 54.840 -0.007 0.000 0.816 371 L CB 1.229 43.284 42.059 -0.007 0.000 1.129 371 L HN 0.581 nan 8.230 nan 0.000 0.448 372 P HA 0.234 nan 4.420 nan 0.000 0.278 372 P C -2.303 174.912 177.300 -0.143 0.000 1.258 372 P CA -1.529 61.480 63.100 -0.153 0.000 0.811 372 P CB 0.530 32.105 31.700 -0.208 0.000 1.063 373 P HA -0.053 nan 4.420 nan 0.000 0.225 373 P C 0.204 177.455 177.300 -0.081 0.000 1.148 373 P CA 0.992 64.048 63.100 -0.073 0.000 0.779 373 P CB -0.077 31.596 31.700 -0.045 0.000 0.780 374 T N 3.728 118.221 114.554 -0.102 0.000 2.806 374 T HA 0.290 4.641 4.350 0.002 0.000 0.290 374 T C -2.434 172.166 174.700 -0.166 0.000 0.966 374 T CA -1.507 60.541 62.100 -0.088 0.000 1.060 374 T CB 1.017 69.866 68.868 -0.032 0.000 0.927 374 T HN 0.077 nan 8.240 nan 0.000 0.485 375 P HA 0.048 nan 4.420 nan 0.000 0.267 375 P C 0.100 177.340 177.300 -0.101 0.000 1.209 375 P CA -0.194 62.845 63.100 -0.102 0.000 0.763 375 P CB 0.618 32.305 31.700 -0.022 0.000 0.816 376 Y N 2.708 122.926 120.300 -0.137 0.000 2.193 376 Y HA -0.219 4.332 4.550 0.002 0.000 0.285 376 Y C 2.395 178.217 175.900 -0.131 0.000 1.166 376 Y CA 1.484 59.440 58.100 -0.241 0.000 1.181 376 Y CB -0.913 37.346 38.460 -0.335 0.000 0.976 376 Y HN 0.246 nan 8.280 nan 0.000 0.520 377 L N -0.209 121.058 121.223 0.072 0.000 2.027 377 L HA -0.028 4.313 4.340 0.002 0.000 0.206 377 L C 2.451 179.378 176.870 0.094 0.000 1.074 377 L CA 2.210 57.077 54.840 0.044 0.000 0.745 377 L CB -1.234 40.835 42.059 0.017 0.000 0.898 377 L HN 0.171 nan 8.230 nan 0.000 0.433 378 G N -1.083 107.794 108.800 0.129 0.000 2.418 378 G HA2 -0.249 3.713 3.960 0.002 0.000 0.217 378 G HA3 -0.249 3.713 3.960 0.002 0.000 0.217 378 G C 1.608 176.671 174.900 0.272 0.000 1.158 378 G CA 0.841 46.076 45.100 0.225 0.000 0.771 378 G HN 0.639 nan 8.290 nan 0.000 0.545 379 A N 0.630 123.563 122.820 0.188 0.000 1.883 379 A HA -0.010 4.311 4.320 0.002 0.000 0.217 379 A C 2.478 180.225 177.584 0.270 0.000 1.186 379 A CA 1.935 54.111 52.037 0.231 0.000 0.624 379 A CB -0.353 18.777 19.000 0.217 0.000 0.822 379 A HN 0.395 nan 8.150 nan 0.000 0.444 380 M N -1.207 118.529 119.600 0.227 0.000 2.200 380 M HA -0.083 4.398 4.480 0.002 0.000 0.265 380 M C 2.287 178.641 176.300 0.090 0.000 1.066 380 M CA 1.677 57.093 55.300 0.194 0.000 1.127 380 M CB -0.273 32.419 32.600 0.153 0.000 1.379 380 M HN 0.444 nan 8.290 nan 0.000 0.420 381 K N 0.178 120.591 120.400 0.022 0.000 2.103 381 K HA -0.183 4.139 4.320 0.002 0.000 0.207 381 K C 1.007 177.402 176.600 -0.341 0.000 1.048 381 K CA 1.589 57.769 56.287 -0.179 0.000 0.930 381 K CB 0.040 32.365 32.500 -0.291 0.000 0.716 381 K HN 0.298 nan 8.250 nan 0.000 0.444 382 Y N 0.269 120.612 120.300 0.070 0.000 2.468 382 Y HA 0.117 4.668 4.550 0.002 0.000 0.268 382 Y C 0.170 176.108 175.900 0.064 0.000 1.177 382 Y CA -0.004 58.132 58.100 0.060 0.000 1.265 382 Y CB -0.056 38.436 38.460 0.054 0.000 1.103 382 Y HN 0.218 nan 8.280 nan 0.000 0.522 383 N N 0.669 119.460 118.700 0.152 0.000 2.738 383 N HA -0.212 4.529 4.740 0.002 0.000 0.249 383 N C -1.254 174.331 175.510 0.124 0.000 1.047 383 N CA 0.195 53.315 53.050 0.117 0.000 0.707 383 N CB -1.199 37.333 38.487 0.075 0.000 0.937 383 N HN 0.338 nan 8.380 nan 0.000 0.545 384 L N 1.218 122.542 121.223 0.168 0.000 2.399 384 L HA 0.156 4.497 4.340 0.002 0.000 0.257 384 L C 1.338 178.259 176.870 0.085 0.000 1.236 384 L CA -0.387 54.551 54.840 0.162 0.000 1.144 384 L CB 0.043 42.215 42.059 0.190 0.000 1.379 384 L HN 0.333 nan 8.230 nan 0.000 0.414 385 L N 1.692 122.888 121.223 -0.044 0.000 2.749 385 L HA -0.097 4.245 4.340 0.002 0.000 0.245 385 L C 1.432 177.995 176.870 -0.512 0.000 1.156 385 L CA 0.543 55.200 54.840 -0.305 0.000 0.890 385 L CB -0.789 41.069 42.059 -0.334 0.000 1.036 385 L HN 0.704 nan 8.230 nan 0.000 0.441 386 H N -1.434 117.584 119.070 -0.086 0.000 3.058 386 H HA 0.274 4.832 4.556 0.002 0.000 0.266 386 H C 1.954 177.263 175.328 -0.032 0.000 1.135 386 H CA 0.591 56.597 56.048 -0.070 0.000 1.174 386 H CB 0.745 30.488 29.762 -0.032 0.000 1.581 386 H HN 0.292 nan 8.280 nan 0.000 0.553 387 A N 1.244 124.136 122.820 0.120 0.000 2.119 387 A HA 0.123 4.445 4.320 0.002 0.000 0.217 387 A C 0.462 178.211 177.584 0.274 0.000 1.153 387 A CA 0.742 52.895 52.037 0.193 0.000 0.692 387 A CB -0.439 18.719 19.000 0.263 0.000 0.799 387 A HN 0.343 nan 8.150 nan 0.000 0.458 388 F N -4.009 115.951 119.950 0.017 0.000 2.858 388 F HA 0.541 5.069 4.527 0.002 0.000 0.319 388 F C -1.391 174.437 175.800 0.046 0.000 1.166 388 F CA -2.115 55.905 58.000 0.033 0.000 0.899 388 F CB 0.160 39.211 39.000 0.085 0.000 1.332 388 F HN -0.175 nan 8.300 nan 0.000 0.461 389 D N 1.545 122.012 120.400 0.112 0.000 2.346 389 D HA 0.161 4.803 4.640 0.002 0.000 0.260 389 D C 0.658 176.873 176.300 -0.141 0.000 1.252 389 D CA 0.229 54.209 54.000 -0.032 0.000 0.895 389 D CB 1.088 41.934 40.800 0.076 0.000 1.097 389 D HN 0.500 nan 8.370 nan 0.000 0.489 390 Q N 2.210 121.840 119.800 -0.284 0.000 2.488 390 Q HA -0.000 4.341 4.340 0.002 0.000 0.211 390 Q C -0.163 175.772 176.000 -0.109 0.000 0.967 390 Q CA 0.448 56.102 55.803 -0.248 0.000 0.926 390 Q CB -0.100 28.479 28.738 -0.266 0.000 0.992 390 Q HN 0.476 nan 8.270 nan 0.000 0.506 391 N N 3.260 121.915 118.700 -0.074 0.000 2.442 391 N HA 0.122 4.864 4.740 0.002 0.000 0.265 391 N C -2.351 173.125 175.510 -0.056 0.000 1.138 391 N CA -1.058 51.960 53.050 -0.054 0.000 0.956 391 N CB 0.774 39.237 38.487 -0.039 0.000 1.067 391 N HN 0.054 nan 8.380 nan 0.000 0.474 392 P HA 0.070 nan 4.420 nan 0.000 0.262 392 P C -2.301 174.904 177.300 -0.159 0.000 1.199 392 P CA -0.662 62.366 63.100 -0.121 0.000 0.763 392 P CB -0.109 31.538 31.700 -0.089 0.000 0.790 393 P HA 0.183 nan 4.420 nan 0.000 0.272 393 P C -2.364 174.818 177.300 -0.196 0.000 1.230 393 P CA -1.595 61.328 63.100 -0.295 0.000 0.788 393 P CB -0.714 30.695 31.700 -0.484 0.000 0.949 394 P HA 0.122 nan 4.420 nan 0.000 0.271 394 P C 0.029 177.488 177.300 0.265 0.000 1.220 394 P CA 0.228 63.394 63.100 0.109 0.000 0.768 394 P CB 0.862 32.633 31.700 0.118 0.000 0.848 395 E N 0.915 121.268 120.200 0.255 0.000 2.476 395 E HA 0.199 4.551 4.350 0.002 0.000 0.196 395 E C -0.038 176.736 176.600 0.290 0.000 1.029 395 E CA -0.033 56.566 56.400 0.332 0.000 0.896 395 E CB 0.529 30.393 29.700 0.273 0.000 1.012 395 E HN 0.285 nan 8.360 nan 0.000 0.475 396 V N 0.577 120.625 119.914 0.223 0.000 3.120 396 V HA 0.348 4.470 4.120 0.002 0.000 0.303 396 V C -0.670 175.508 176.094 0.139 0.000 1.238 396 V CA -1.337 61.036 62.300 0.123 0.000 1.008 396 V CB 1.262 33.037 31.823 -0.080 0.000 1.064 396 V HN 0.149 nan 8.190 nan 0.000 0.434 397 F N 1.062 121.034 119.950 0.035 0.000 2.450 397 F HA 0.997 5.525 4.527 0.001 0.000 0.328 397 F C -2.618 173.181 175.800 -0.002 0.000 1.068 397 F CA -3.011 54.991 58.000 0.004 0.000 1.007 397 F CB 0.042 39.022 39.000 -0.033 0.000 1.251 397 F HN 0.279 nan 8.300 nan 0.000 0.492 398 P HA 0.147 nan 4.420 nan 0.000 0.276 398 P C -0.016 177.351 177.300 0.111 0.000 1.235 398 P CA -0.295 62.865 63.100 0.101 0.000 0.772 398 P CB 0.801 32.600 31.700 0.165 0.000 0.871 399 E N 1.853 122.039 120.200 -0.024 0.000 2.478 399 E HA -0.159 4.193 4.350 0.002 0.000 0.198 399 E C 0.252 176.896 176.600 0.072 0.000 1.046 399 E CA 0.698 57.087 56.400 -0.018 0.000 0.870 399 E CB -0.325 29.319 29.700 -0.093 0.000 0.818 399 E HN 0.523 nan 8.360 nan 0.000 0.527 400 D N 0.203 120.661 120.400 0.096 0.000 2.339 400 D HA -0.116 4.525 4.640 0.002 0.000 0.217 400 D C -0.082 176.288 176.300 0.116 0.000 1.050 400 D CA -0.461 53.590 54.000 0.084 0.000 0.856 400 D CB -0.321 40.512 40.800 0.054 0.000 0.922 400 D HN 0.190 nan 8.370 nan 0.000 0.518 401 Y N 2.372 122.749 120.300 0.128 0.000 2.465 401 Y HA 0.164 4.715 4.550 0.002 0.000 0.331 401 Y C -0.255 175.720 175.900 0.126 0.000 1.102 401 Y CA -0.460 57.724 58.100 0.140 0.000 1.358 401 Y CB 0.789 39.379 38.460 0.217 0.000 1.213 401 Y HN -0.249 nan 8.280 nan 0.000 0.525 402 D N 6.594 126.659 120.400 -0.559 0.000 2.396 402 D HA 0.072 4.713 4.640 0.002 0.000 0.225 402 D C 0.899 177.014 176.300 -0.307 0.000 1.121 402 D CA -0.300 53.528 54.000 -0.286 0.000 0.853 402 D CB 0.217 40.886 40.800 -0.218 0.000 1.043 402 D HN 0.659 nan 8.370 nan 0.000 0.500 403 I N 0.131 120.755 120.570 0.091 0.000 3.334 403 I HA 0.070 4.242 4.170 0.002 0.000 0.282 403 I C 0.316 176.577 176.117 0.241 0.000 1.313 403 I CA 0.524 61.998 61.300 0.290 0.000 1.396 403 I CB 0.218 38.426 38.000 0.346 0.000 1.054 403 I HN 0.070 nan 8.210 nan 0.000 0.495 404 D N 1.271 121.733 120.400 0.103 0.000 2.339 404 D HA 0.141 4.782 4.640 0.002 0.000 0.217 404 D C 0.244 176.590 176.300 0.077 0.000 1.050 404 D CA 0.505 54.546 54.000 0.068 0.000 0.856 404 D CB 0.632 41.404 40.800 -0.047 0.000 0.922 404 D HN 0.313 nan 8.370 nan 0.000 0.518 405 T N 0.755 115.337 114.554 0.047 0.000 2.900 405 T HA 0.369 4.721 4.350 0.002 0.000 0.295 405 T C -2.617 172.101 174.700 0.031 0.000 1.044 405 T CA -1.439 60.672 62.100 0.018 0.000 0.995 405 T CB 2.635 71.476 68.868 -0.044 0.000 1.072 405 T HN -0.278 nan 8.240 nan 0.000 0.473 406 P HA 0.138 nan 4.420 nan 0.000 0.267 406 P C -2.457 174.871 177.300 0.046 0.000 1.195 406 P CA -0.745 62.380 63.100 0.040 0.000 0.773 406 P CB -0.308 31.403 31.700 0.018 0.000 0.837 407 P HA 0.028 nan 4.420 nan 0.000 0.272 407 P C 0.819 178.155 177.300 0.061 0.000 1.230 407 P CA 0.097 63.273 63.100 0.126 0.000 0.788 407 P CB 0.150 31.918 31.700 0.114 0.000 0.949 408 T N -3.216 111.382 114.554 0.073 0.000 3.051 408 T HA -0.007 4.345 4.350 0.002 0.000 0.255 408 T C 0.683 175.406 174.700 0.038 0.000 1.085 408 T CA 0.139 62.264 62.100 0.041 0.000 1.109 408 T CB -0.738 68.155 68.868 0.041 0.000 0.921 408 T HN 0.427 nan 8.240 nan 0.000 0.488 409 N N 0.921 119.652 118.700 0.052 0.000 2.828 409 N HA -0.215 4.526 4.740 0.002 0.000 0.248 409 N C 0.772 176.305 175.510 0.038 0.000 1.044 409 N CA 1.154 54.225 53.050 0.037 0.000 0.851 409 N CB -1.352 37.143 38.487 0.013 0.000 1.136 409 N HN 0.754 nan 8.380 nan 0.000 0.572 410 E N 0.834 121.061 120.200 0.046 0.000 2.070 410 E HA -0.155 4.197 4.350 0.002 0.000 0.197 410 E C 0.932 177.557 176.600 0.042 0.000 1.004 410 E CA 1.525 57.949 56.400 0.041 0.000 0.805 410 E CB 0.060 29.788 29.700 0.046 0.000 0.744 410 E HN 0.458 nan 8.360 nan 0.000 0.451 411 K N -0.236 120.195 120.400 0.051 0.000 2.374 411 K HA 0.131 4.453 4.320 0.002 0.000 0.202 411 K C -0.344 176.284 176.600 0.046 0.000 1.040 411 K CA -0.095 56.221 56.287 0.048 0.000 1.085 411 K CB 1.157 33.690 32.500 0.056 0.000 0.873 411 K HN -0.058 nan 8.250 nan 0.000 0.539 412 T N 3.514 118.094 114.554 0.044 0.000 2.867 412 T HA 0.055 4.406 4.350 0.002 0.000 0.297 412 T C 0.146 174.871 174.700 0.042 0.000 0.989 412 T CA 0.161 62.285 62.100 0.040 0.000 1.159 412 T CB 0.199 69.086 68.868 0.031 0.000 0.928 412 T HN 0.325 nan 8.240 nan 0.000 0.538 413 R N 2.513 123.040 120.500 0.046 0.000 2.888 413 R HA 0.748 5.089 4.340 0.002 0.000 0.266 413 R C -0.995 175.335 176.300 0.051 0.000 1.020 413 R CA -1.122 55.006 56.100 0.047 0.000 0.963 413 R CB 1.477 31.804 30.300 0.045 0.000 1.197 413 R HN 0.411 nan 8.270 nan 0.000 0.481 414 I N 0.408 121.007 120.570 0.047 0.000 2.428 414 I HA 0.563 4.735 4.170 0.002 0.000 0.296 414 I C 0.184 176.334 176.117 0.054 0.000 0.985 414 I CA -0.233 61.095 61.300 0.046 0.000 1.260 414 I CB 2.016 40.033 38.000 0.030 0.000 1.389 414 I HN 0.920 nan 8.210 nan 0.000 0.484 415 G N 3.162 112.002 108.800 0.067 0.000 2.687 415 G HA2 0.366 4.327 3.960 0.002 0.000 0.291 415 G HA3 0.366 4.327 3.960 0.002 0.000 0.291 415 G C -1.048 173.919 174.900 0.112 0.000 1.420 415 G CA -0.626 44.524 45.100 0.083 0.000 0.796 415 G HN 0.774 nan 8.290 nan 0.000 0.485 416 N N -0.711 118.080 118.700 0.151 0.000 2.453 416 N HA 0.206 4.947 4.740 0.002 0.000 0.267 416 N C 0.467 176.175 175.510 0.329 0.000 1.482 416 N CA -0.515 52.678 53.050 0.237 0.000 0.841 416 N CB 1.097 39.721 38.487 0.230 0.000 1.408 416 N HN 0.763 nan 8.380 nan 0.000 0.490 417 G N 0.547 109.477 108.800 0.216 0.000 2.580 417 G HA2 0.493 4.454 3.960 0.002 0.000 0.278 417 G HA3 0.493 4.454 3.960 0.002 0.000 0.278 417 G C -0.558 174.394 174.900 0.088 0.000 1.212 417 G CA -0.261 44.971 45.100 0.221 0.000 0.939 417 G HN 0.056 nan 8.290 nan 0.000 0.513 418 V N 0.138 120.082 119.914 0.051 0.000 2.604 418 V HA 0.306 4.428 4.120 0.002 0.000 0.305 418 V C -1.131 174.897 176.094 -0.111 0.000 1.043 418 V CA -0.751 61.510 62.300 -0.064 0.000 0.888 418 V CB 1.638 33.371 31.823 -0.150 0.000 0.995 418 V HN 0.594 nan 8.190 nan 0.000 0.429 419 Y N 3.148 123.421 120.300 -0.046 0.000 2.359 419 Y HA 0.416 4.967 4.550 0.002 0.000 0.334 419 Y C 0.626 176.194 175.900 -0.553 0.000 1.058 419 Y CA 0.144 58.098 58.100 -0.243 0.000 1.244 419 Y CB 0.703 39.016 38.460 -0.245 0.000 1.187 419 Y HN 0.550 nan 8.280 nan 0.000 0.510 420 Q N 3.044 122.557 119.800 -0.478 0.000 2.312 420 Q HA 0.563 4.905 4.340 0.002 0.000 0.263 420 Q C -1.500 174.112 176.000 -0.646 0.000 0.995 420 Q CA -0.718 54.803 55.803 -0.470 0.000 0.853 420 Q CB 1.741 30.381 28.738 -0.163 0.000 1.300 420 Q HN 0.503 nan 8.270 nan 0.000 0.448 421 F N 0.265 120.248 119.950 0.055 0.000 2.579 421 F HA 0.497 5.025 4.527 0.002 0.000 0.324 421 F C 0.186 176.016 175.800 0.049 0.000 1.058 421 F CA -1.097 56.916 58.000 0.022 0.000 0.944 421 F CB 1.167 40.165 39.000 -0.003 0.000 1.245 421 F HN 0.091 nan 8.300 nan 0.000 0.477 422 K N 1.576 122.117 120.400 0.234 0.000 2.156 422 K HA 0.362 4.684 4.320 0.002 0.000 0.271 422 K C -0.653 176.037 176.600 0.151 0.000 0.995 422 K CA -0.850 55.525 56.287 0.147 0.000 0.890 422 K CB 1.968 34.526 32.500 0.096 0.000 1.073 422 K HN 0.658 nan 8.250 nan 0.000 0.454 423 I N 1.917 122.570 120.570 0.138 0.000 2.742 423 I HA -0.019 4.152 4.170 0.002 0.000 0.287 423 I C 1.016 177.188 176.117 0.092 0.000 1.186 423 I CA 1.664 63.044 61.300 0.134 0.000 1.417 423 I CB -0.096 37.977 38.000 0.122 0.000 1.377 423 I HN 0.943 nan 8.210 nan 0.000 0.556 424 G N 4.657 113.506 108.800 0.082 0.000 2.253 424 G HA2 -0.201 3.760 3.960 0.002 0.000 0.209 424 G HA3 -0.201 3.760 3.960 0.002 0.000 0.209 424 G C 0.234 175.139 174.900 0.010 0.000 0.997 424 G CA -0.076 45.053 45.100 0.047 0.000 0.640 424 G HN 0.631 nan 8.290 nan 0.000 0.496 425 E N 0.690 120.886 120.200 -0.007 0.000 2.415 425 E HA 0.351 4.702 4.350 0.002 0.000 0.263 425 E C 0.205 176.692 176.600 -0.188 0.000 0.995 425 E CA -0.053 56.301 56.400 -0.077 0.000 0.915 425 E CB 1.561 31.214 29.700 -0.079 0.000 0.951 425 E HN 0.136 nan 8.360 nan 0.000 0.449 426 V N 4.759 124.571 119.914 -0.171 0.000 2.432 426 V HA 0.112 4.233 4.120 0.002 0.000 0.271 426 V C 0.168 176.040 176.094 -0.371 0.000 1.046 426 V CA -0.332 61.830 62.300 -0.230 0.000 0.945 426 V CB 1.188 32.953 31.823 -0.096 0.000 0.992 426 V HN 0.351 nan 8.190 nan 0.000 0.471 427 V N 4.203 123.673 119.914 -0.739 0.000 2.581 427 V HA 0.537 4.659 4.120 0.002 0.000 0.303 427 V C -0.701 174.963 176.094 -0.716 0.000 1.041 427 V CA -0.748 61.027 62.300 -0.875 0.000 0.907 427 V CB 2.216 33.096 31.823 -1.571 0.000 0.994 427 V HN 0.839 nan 8.190 nan 0.000 0.442 428 D N 1.794 121.839 120.400 -0.593 0.000 2.362 428 D HA 0.648 5.289 4.640 0.002 0.000 0.247 428 D C -0.974 174.995 176.300 -0.550 0.000 1.050 428 D CA -0.084 53.579 54.000 -0.562 0.000 0.839 428 D CB 2.229 42.577 40.800 -0.753 0.000 1.283 428 D HN 0.281 nan 8.370 nan 0.000 0.477 429 V N 3.538 123.185 119.914 -0.444 0.000 2.407 429 V HA 0.366 4.488 4.120 0.002 0.000 0.291 429 V C -0.483 175.346 176.094 -0.441 0.000 1.018 429 V CA -0.807 61.264 62.300 -0.381 0.000 0.842 429 V CB 1.509 33.233 31.823 -0.164 0.000 0.996 429 V HN 0.435 nan 8.190 nan 0.000 0.426 430 I N 6.184 126.411 120.570 -0.571 0.000 2.307 430 I HA 0.384 4.555 4.170 0.002 0.000 0.289 430 I C -0.158 175.799 176.117 -0.266 0.000 1.021 430 I CA -0.334 60.651 61.300 -0.525 0.000 1.224 430 I CB 1.267 38.728 38.000 -0.898 0.000 1.376 430 I HN 0.415 nan 8.210 nan 0.000 0.470 431 L N 6.170 127.268 121.223 -0.208 0.000 2.260 431 L HA 0.339 4.681 4.340 0.002 0.000 0.289 431 L C 0.144 176.992 176.870 -0.036 0.000 1.057 431 L CA -0.433 54.257 54.840 -0.251 0.000 0.811 431 L CB 0.850 42.636 42.059 -0.455 0.000 1.184 431 L HN 0.508 nan 8.230 nan 0.000 0.429 432 Q N 3.410 123.203 119.800 -0.011 0.000 2.307 432 Q HA 0.326 4.667 4.340 0.002 0.000 0.262 432 Q C -0.720 175.281 176.000 0.002 0.000 0.961 432 Q CA -0.319 55.538 55.803 0.090 0.000 0.882 432 Q CB 1.357 30.144 28.738 0.081 0.000 1.264 432 Q HN 0.489 nan 8.270 nan 0.000 0.446 433 N N 2.053 120.812 118.700 0.098 0.000 2.458 433 N HA 0.843 5.585 4.740 0.002 0.000 0.271 433 N C -1.541 174.034 175.510 0.109 0.000 1.210 433 N CA 0.167 53.271 53.050 0.090 0.000 0.978 433 N CB 1.395 39.959 38.487 0.128 0.000 1.206 433 N HN 0.716 nan 8.380 nan 0.000 0.536 434 A N 0.741 123.620 122.820 0.099 0.000 2.536 434 A HA 0.391 4.713 4.320 0.002 0.000 0.293 434 A C -0.972 176.673 177.584 0.103 0.000 1.119 434 A CA -0.760 51.384 52.037 0.179 0.000 0.654 434 A CB 0.266 19.378 19.000 0.187 0.000 1.291 434 A HN 0.732 nan 8.150 nan 0.000 0.439 435 N N -0.029 118.809 118.700 0.230 0.000 2.492 435 N HA 0.437 5.178 4.740 0.002 0.000 0.260 435 N C 0.520 176.091 175.510 0.102 0.000 1.215 435 N CA 0.235 53.396 53.050 0.184 0.000 0.923 435 N CB 0.188 38.852 38.487 0.295 0.000 1.092 435 N HN 0.585 nan 8.380 nan 0.000 0.448 436 M N 1.630 121.258 119.600 0.047 0.000 1.928 436 M HA 0.149 4.630 4.480 0.002 0.000 0.181 436 M C 1.374 177.650 176.300 -0.040 0.000 1.134 436 M CA -0.424 54.862 55.300 -0.023 0.000 1.127 436 M CB 0.150 32.737 32.600 -0.022 0.000 1.067 436 M HN 0.539 nan 8.290 nan 0.000 0.595 437 M N 0.197 119.734 119.600 -0.104 0.000 2.236 437 M HA 0.045 4.526 4.480 0.002 0.000 0.266 437 M C 0.697 176.977 176.300 -0.034 0.000 1.070 437 M CA 1.135 56.389 55.300 -0.076 0.000 1.137 437 M CB -0.903 31.627 32.600 -0.116 0.000 1.378 437 M HN 0.386 nan 8.290 nan 0.000 0.426 438 K N 2.025 122.407 120.400 -0.031 0.000 2.355 438 K HA 0.019 4.340 4.320 0.002 0.000 0.270 438 K C -0.387 176.235 176.600 0.036 0.000 1.003 438 K CA 0.112 56.399 56.287 -0.000 0.000 0.957 438 K CB 0.643 33.143 32.500 0.000 0.000 0.939 438 K HN 0.177 nan 8.250 nan 0.000 0.482 439 E N 2.518 122.745 120.200 0.044 0.000 2.344 439 E HA -0.066 4.285 4.350 0.002 0.000 0.270 439 E C -0.188 176.472 176.600 0.101 0.000 1.021 439 E CA -0.032 56.408 56.400 0.067 0.000 0.887 439 E CB 0.439 30.169 29.700 0.050 0.000 0.997 439 E HN 0.680 nan 8.360 nan 0.000 0.429 440 N N 1.889 120.679 118.700 0.149 0.000 2.746 440 N HA -0.199 4.543 4.740 0.002 0.000 0.250 440 N C -1.964 173.698 175.510 0.253 0.000 1.055 440 N CA 0.303 53.484 53.050 0.218 0.000 0.699 440 N CB -0.906 37.666 38.487 0.141 0.000 0.919 440 N HN 0.335 nan 8.380 nan 0.000 0.548 441 L N 0.155 121.514 121.223 0.226 0.000 2.438 441 L HA 0.776 5.117 4.340 0.002 0.000 0.270 441 L C -0.898 175.949 176.870 -0.038 0.000 0.972 441 L CA -0.406 54.510 54.840 0.127 0.000 0.831 441 L CB 1.930 44.047 42.059 0.096 0.000 1.273 441 L HN 0.160 nan 8.230 nan 0.000 0.405 442 S N 3.306 118.874 115.700 -0.220 0.000 2.548 442 S HA 0.710 5.181 4.470 0.002 0.000 0.276 442 S C -1.055 173.449 174.600 -0.160 0.000 1.129 442 S CA -0.552 57.440 58.200 -0.348 0.000 0.931 442 S CB 1.279 63.856 63.200 -1.038 0.000 1.068 442 S HN 0.762 nan 8.310 nan 0.000 0.480 443 E N 1.016 121.195 120.200 -0.035 0.000 2.281 443 E HA 0.493 4.845 4.350 0.002 0.000 0.257 443 E C -0.468 176.023 176.600 -0.182 0.000 0.971 443 E CA -0.993 55.370 56.400 -0.063 0.000 0.839 443 E CB 1.423 31.097 29.700 -0.043 0.000 1.238 443 E HN 0.703 nan 8.360 nan 0.000 0.412 444 T N -1.019 113.431 114.554 -0.173 0.000 2.889 444 T HA 0.281 4.633 4.350 0.002 0.000 0.291 444 T C -0.363 174.118 174.700 -0.366 0.000 0.995 444 T CA -0.576 61.403 62.100 -0.201 0.000 1.092 444 T CB 0.545 69.364 68.868 -0.080 0.000 0.954 444 T HN 0.339 nan 8.240 nan 0.000 0.506 445 H N 3.127 122.176 119.070 -0.036 0.000 2.744 445 H HA 0.357 4.915 4.556 0.002 0.000 0.339 445 H C -2.698 172.641 175.328 0.019 0.000 1.004 445 H CA -1.814 54.235 56.048 0.001 0.000 1.257 445 H CB 2.305 32.104 29.762 0.061 0.000 1.552 445 H HN 0.540 nan 8.280 nan 0.000 0.522 446 P HA 0.037 nan 4.420 nan 0.000 0.282 446 P C -0.641 176.738 177.300 0.132 0.000 1.262 446 P CA -0.228 62.945 63.100 0.121 0.000 0.773 446 P CB 0.740 32.525 31.700 0.141 0.000 0.879 447 W N 2.663 124.007 121.300 0.074 0.000 2.606 447 W HA 0.388 5.049 4.660 0.002 0.000 0.332 447 W C 0.303 176.946 176.519 0.207 0.000 1.052 447 W CA 0.262 57.600 57.345 -0.013 0.000 1.223 447 W CB 1.281 30.590 29.460 -0.252 0.000 1.383 447 W HN 0.448 nan 8.180 nan 0.000 0.524 448 H N 3.060 122.260 119.070 0.217 0.000 2.667 448 H HA 0.532 5.089 4.556 0.002 0.000 0.353 448 H C -1.658 173.885 175.328 0.359 0.000 1.072 448 H CA -0.722 55.503 56.048 0.296 0.000 1.214 448 H CB 1.237 31.142 29.762 0.239 0.000 1.600 448 H HN 0.458 nan 8.280 nan 0.000 0.527 449 L N 5.742 126.858 121.223 -0.179 0.000 2.309 449 L HA 0.377 4.719 4.340 0.002 0.000 0.282 449 L C -0.348 176.249 176.870 -0.456 0.000 1.036 449 L CA -0.675 54.039 54.840 -0.210 0.000 0.806 449 L CB 0.784 42.658 42.059 -0.309 0.000 1.220 449 L HN 0.792 nan 8.230 nan 0.000 0.429 450 H N 2.791 121.669 119.070 -0.320 0.000 2.487 450 H HA 0.174 4.732 4.556 0.003 0.000 0.333 450 H C 0.836 176.014 175.328 -0.251 0.000 1.114 450 H CA 0.263 56.233 56.048 -0.131 0.000 1.310 450 H CB 1.565 31.409 29.762 0.136 0.000 1.462 450 H HN 0.936 nan 8.280 nan 0.000 0.516 451 G N 2.240 110.782 108.800 -0.430 0.000 2.168 451 G HA2 -0.261 3.700 3.960 0.002 0.000 0.257 451 G HA3 -0.261 3.700 3.960 0.002 0.000 0.257 451 G C -0.467 173.664 174.900 -1.282 0.000 0.997 451 G CA 0.633 44.993 45.100 -1.233 0.000 0.708 451 G HN 0.832 nan 8.290 nan 0.000 0.520 452 H N -1.154 117.533 119.070 -0.638 0.000 3.042 452 H HA 0.610 5.167 4.556 0.003 0.000 0.346 452 H C -1.267 173.785 175.328 -0.461 0.000 1.294 452 H CA -0.884 54.852 56.048 -0.520 0.000 1.141 452 H CB 1.283 30.714 29.762 -0.551 0.000 1.872 452 H HN 0.088 nan 8.280 nan 0.000 0.541 453 D N 0.856 121.077 120.400 -0.298 0.000 2.269 453 D HA 0.406 5.048 4.640 0.002 0.000 0.244 453 D C -0.682 175.386 176.300 -0.387 0.000 0.992 453 D CA -0.380 53.346 54.000 -0.457 0.000 0.894 453 D CB 1.759 42.294 40.800 -0.442 0.000 1.248 453 D HN 0.295 nan 8.370 nan 0.000 0.468 454 F N -1.611 118.136 119.950 -0.338 0.000 2.603 454 F HA 0.598 5.126 4.527 0.003 0.000 0.317 454 F C -0.909 174.717 175.800 -0.290 0.000 1.066 454 F CA -1.571 56.261 58.000 -0.279 0.000 0.941 454 F CB 0.797 39.725 39.000 -0.120 0.000 1.291 454 F HN 0.164 nan 8.300 nan 0.000 0.472 455 W N 2.046 123.531 121.300 0.309 0.000 2.316 455 W HA 0.527 5.188 4.660 0.002 0.000 0.311 455 W C -0.922 175.726 176.519 0.215 0.000 1.217 455 W CA -0.946 56.520 57.345 0.200 0.000 1.199 455 W CB 1.854 31.376 29.460 0.103 0.000 1.202 455 W HN 0.248 nan 8.180 nan 0.000 0.528 456 V N 5.942 126.076 119.914 0.367 0.000 2.353 456 V HA -0.043 4.078 4.120 0.002 0.000 0.264 456 V C 0.937 177.092 176.094 0.102 0.000 1.049 456 V CA -0.286 62.119 62.300 0.175 0.000 0.896 456 V CB 0.794 32.708 31.823 0.151 0.000 1.025 456 V HN 0.413 nan 8.190 nan 0.000 0.475 457 L N 4.184 125.431 121.223 0.040 0.000 2.179 457 L HA 0.397 4.739 4.340 0.002 0.000 0.208 457 L C 1.169 178.046 176.870 0.010 0.000 1.096 457 L CA 1.583 56.447 54.840 0.040 0.000 0.779 457 L CB -0.682 41.391 42.059 0.023 0.000 0.922 457 L HN 0.871 nan 8.230 nan 0.000 0.443 458 G N -3.472 105.261 108.800 -0.112 0.000 2.316 458 G HA2 0.330 4.292 3.960 0.002 0.000 0.296 458 G HA3 0.330 4.292 3.960 0.002 0.000 0.296 458 G C -2.008 172.595 174.900 -0.496 0.000 1.399 458 G CA -0.715 44.294 45.100 -0.153 0.000 0.833 458 G HN -0.189 nan 8.290 nan 0.000 0.565 459 Y N -0.930 119.011 120.300 -0.598 0.000 2.605 459 Y HA 0.868 5.419 4.550 0.002 0.000 0.343 459 Y C 0.730 175.862 175.900 -1.280 0.000 1.036 459 Y CA -0.093 57.491 58.100 -0.861 0.000 1.065 459 Y CB 2.587 40.759 38.460 -0.479 0.000 1.288 459 Y HN 1.247 nan 8.280 nan 0.000 0.481 460 G N 0.028 108.091 108.800 -1.229 0.000 2.547 460 G HA2 0.340 4.301 3.960 0.002 0.000 0.291 460 G HA3 0.340 4.301 3.960 0.002 0.000 0.291 460 G C -2.164 172.550 174.900 -0.310 0.000 1.471 460 G CA -0.963 43.714 45.100 -0.705 0.000 0.798 460 G HN 0.426 nan 8.290 nan 0.000 0.504 461 D N -0.078 120.377 120.400 0.091 0.000 2.253 461 D HA 0.562 5.204 4.640 0.002 0.000 0.249 461 D C 1.018 177.520 176.300 0.336 0.000 1.049 461 D CA 1.218 55.331 54.000 0.187 0.000 0.929 461 D CB 1.809 42.697 40.800 0.148 0.000 1.176 461 D HN 1.197 nan 8.370 nan 0.000 0.437 462 G N 1.493 110.491 108.800 0.331 0.000 2.598 462 G HA2 -0.270 3.692 3.960 0.002 0.000 0.244 462 G HA3 -0.270 3.692 3.960 0.002 0.000 0.244 462 G C -0.184 175.000 174.900 0.473 0.000 1.302 462 G CA -0.329 44.974 45.100 0.338 0.000 0.903 462 G HN 0.585 nan 8.290 nan 0.000 0.575 463 K N -0.369 120.252 120.400 0.368 0.000 2.234 463 K HA 0.509 4.831 4.320 0.002 0.000 0.282 463 K C 0.200 176.952 176.600 0.254 0.000 1.039 463 K CA -0.687 55.818 56.287 0.363 0.000 0.928 463 K CB 0.383 33.056 32.500 0.288 0.000 1.039 463 K HN 0.499 nan 8.250 nan 0.000 0.470 464 F N 3.461 123.386 119.950 -0.041 0.000 2.572 464 F HA 0.042 4.570 4.527 0.002 0.000 0.370 464 F C -0.076 175.591 175.800 -0.222 0.000 1.103 464 F CA 0.748 58.440 58.000 -0.513 0.000 1.286 464 F CB 0.500 39.099 39.000 -0.669 0.000 1.105 464 F HN 0.580 nan 8.300 nan 0.000 0.583 465 S N 3.701 118.816 115.700 -0.975 0.000 2.651 465 S HA 0.707 5.178 4.470 0.002 0.000 0.279 465 S C 0.324 174.390 174.600 -0.890 0.000 1.148 465 S CA -0.526 57.279 58.200 -0.658 0.000 0.837 465 S CB 1.181 64.191 63.200 -0.317 0.000 1.138 465 S HN 0.949 nan 8.310 nan 0.000 0.478 466 A N 0.429 122.966 122.820 -0.472 0.000 2.076 466 A HA -0.066 4.255 4.320 0.002 0.000 0.220 466 A C 1.695 179.122 177.584 -0.261 0.000 1.160 466 A CA 1.716 53.563 52.037 -0.318 0.000 0.653 466 A CB -1.076 17.831 19.000 -0.156 0.000 0.801 466 A HN 0.909 nan 8.150 nan 0.000 0.455 467 E N 0.099 120.151 120.200 -0.247 0.000 2.204 467 E HA -0.165 4.186 4.350 0.002 0.000 0.195 467 E C 1.377 177.893 176.600 -0.140 0.000 0.990 467 E CA 1.173 57.485 56.400 -0.147 0.000 0.821 467 E CB -0.060 29.576 29.700 -0.105 0.000 0.750 467 E HN 0.650 nan 8.360 nan 0.000 0.477 468 E N 0.634 120.660 120.200 -0.290 0.000 2.478 468 E HA -0.101 4.251 4.350 0.002 0.000 0.194 468 E C 1.487 178.074 176.600 -0.020 0.000 1.045 468 E CA 0.299 56.613 56.400 -0.143 0.000 0.868 468 E CB 0.179 29.707 29.700 -0.287 0.000 0.885 468 E HN 0.206 nan 8.360 nan 0.000 0.505 469 E N 1.780 121.935 120.200 -0.075 0.000 2.097 469 E HA -0.168 4.184 4.350 0.002 0.000 0.196 469 E C 1.924 178.584 176.600 0.100 0.000 1.000 469 E CA 1.819 58.269 56.400 0.085 0.000 0.804 469 E CB -0.122 29.614 29.700 0.061 0.000 0.740 469 E HN 0.196 nan 8.360 nan 0.000 0.454 470 S N -0.726 115.012 115.700 0.065 0.000 2.474 470 S HA -0.124 4.347 4.470 0.002 0.000 0.235 470 S C 1.935 176.589 174.600 0.090 0.000 0.997 470 S CA 0.936 59.176 58.200 0.066 0.000 0.949 470 S CB -0.404 62.822 63.200 0.043 0.000 0.766 470 S HN 0.309 nan 8.310 nan 0.000 0.517 471 S N 1.215 116.994 115.700 0.133 0.000 2.527 471 S HA 0.265 4.736 4.470 0.002 0.000 0.222 471 S C 0.628 175.324 174.600 0.161 0.000 0.985 471 S CA -0.463 57.828 58.200 0.151 0.000 0.921 471 S CB -0.738 62.584 63.200 0.204 0.000 0.772 471 S HN 0.492 nan 8.310 nan 0.000 0.529 472 L N 3.312 124.643 121.223 0.179 0.000 2.513 472 L HA 0.175 4.516 4.340 0.002 0.000 0.272 472 L C 0.454 177.378 176.870 0.090 0.000 1.187 472 L CA -0.254 54.679 54.840 0.155 0.000 0.895 472 L CB -0.183 41.965 42.059 0.150 0.000 1.147 472 L HN 0.234 nan 8.230 nan 0.000 0.483 473 N N 4.624 123.368 118.700 0.075 0.000 2.405 473 N HA 0.147 4.889 4.740 0.002 0.000 0.260 473 N C 0.087 175.613 175.510 0.027 0.000 1.152 473 N CA 0.111 53.192 53.050 0.052 0.000 0.948 473 N CB 0.766 39.288 38.487 0.059 0.000 1.111 473 N HN 0.558 nan 8.380 nan 0.000 0.485 474 L N 2.865 124.090 121.223 0.002 0.000 2.906 474 L HA 0.215 4.556 4.340 0.002 0.000 0.255 474 L C 1.830 178.664 176.870 -0.061 0.000 1.166 474 L CA -0.100 54.711 54.840 -0.050 0.000 0.977 474 L CB 0.215 42.243 42.059 -0.051 0.000 1.313 474 L HN 0.527 nan 8.230 nan 0.000 0.549 475 K N 0.720 121.109 120.400 -0.018 0.000 2.161 475 K HA 0.044 4.366 4.320 0.002 0.000 0.205 475 K C 0.890 177.497 176.600 0.010 0.000 1.035 475 K CA 0.846 57.128 56.287 -0.009 0.000 0.970 475 K CB 0.405 32.911 32.500 0.010 0.000 0.866 475 K HN 0.088 nan 8.250 nan 0.000 0.461 476 N N 1.035 119.759 118.700 0.041 0.000 2.282 476 N HA 0.195 4.936 4.740 0.002 0.000 0.240 476 N C -2.735 172.850 175.510 0.126 0.000 1.182 476 N CA -1.518 51.580 53.050 0.080 0.000 0.874 476 N CB 0.856 39.386 38.487 0.071 0.000 1.126 476 N HN 0.181 nan 8.380 nan 0.000 0.516 477 P HA 0.179 nan 4.420 nan 0.000 0.271 477 P C -2.844 174.641 177.300 0.309 0.000 1.216 477 P CA -0.921 62.309 63.100 0.216 0.000 0.776 477 P CB 0.781 32.609 31.700 0.213 0.000 0.881 478 P HA 0.242 nan 4.420 nan 0.000 0.278 478 P C -0.493 176.901 177.300 0.157 0.000 1.238 478 P CA -0.241 62.984 63.100 0.209 0.000 0.794 478 P CB 0.815 32.623 31.700 0.180 0.000 0.955 479 L N 3.841 125.071 121.223 0.012 0.000 2.276 479 L HA 0.401 4.743 4.340 0.002 0.000 0.286 479 L C 1.095 177.823 176.870 -0.236 0.000 1.061 479 L CA -0.061 54.635 54.840 -0.240 0.000 0.807 479 L CB 0.406 42.269 42.059 -0.326 0.000 1.177 479 L HN 0.298 nan 8.230 nan 0.000 0.429 480 R N 1.728 121.968 120.500 -0.434 0.000 2.831 480 R HA 0.369 4.711 4.340 0.002 0.000 0.266 480 R C -0.111 175.614 176.300 -0.959 0.000 1.051 480 R CA -0.774 55.044 56.100 -0.471 0.000 0.943 480 R CB 1.260 31.421 30.300 -0.232 0.000 1.228 480 R HN 0.650 nan 8.270 nan 0.000 0.467 481 N N -1.978 116.365 118.700 -0.594 0.000 2.193 481 N HA 0.061 4.803 4.740 0.002 0.000 0.210 481 N C -0.700 174.795 175.510 -0.025 0.000 1.215 481 N CA 0.016 52.756 53.050 -0.516 0.000 0.901 481 N CB 0.959 39.380 38.487 -0.110 0.000 1.060 481 N HN 0.290 nan 8.380 nan 0.000 0.508 482 T N 0.357 115.011 114.554 0.166 0.000 2.861 482 T HA 0.627 4.979 4.350 0.002 0.000 0.287 482 T C -1.500 173.472 174.700 0.454 0.000 1.003 482 T CA -0.634 61.716 62.100 0.417 0.000 0.977 482 T CB 2.406 71.480 68.868 0.342 0.000 0.996 482 T HN -0.037 nan 8.240 nan 0.000 0.448 483 V N 3.237 123.452 119.914 0.503 0.000 2.971 483 V HA 0.717 4.838 4.120 0.002 0.000 0.309 483 V C -1.155 175.086 176.094 0.245 0.000 1.130 483 V CA -0.575 61.957 62.300 0.387 0.000 0.964 483 V CB 2.332 34.371 31.823 0.361 0.000 1.029 483 V HN 0.730 nan 8.190 nan 0.000 0.427 484 V N 6.125 126.121 119.914 0.137 0.000 2.612 484 V HA 0.563 4.684 4.120 0.002 0.000 0.301 484 V C 0.000 176.058 176.094 -0.061 0.000 1.046 484 V CA -0.571 61.650 62.300 -0.132 0.000 0.946 484 V CB 1.629 33.042 31.823 -0.682 0.000 1.003 484 V HN 0.770 nan 8.190 nan 0.000 0.459 485 I N 0.254 120.777 120.570 -0.078 0.000 2.412 485 I HA 0.623 4.794 4.170 0.002 0.000 0.296 485 I C -0.793 175.223 176.117 -0.168 0.000 0.987 485 I CA -0.367 60.934 61.300 0.002 0.000 1.180 485 I CB 1.242 39.299 38.000 0.095 0.000 1.340 485 I HN 0.308 nan 8.210 nan 0.000 0.455 486 F N 4.192 124.188 119.950 0.077 0.000 2.370 486 F HA 0.494 5.022 4.527 0.002 0.000 0.319 486 F C -1.920 173.829 175.800 -0.086 0.000 1.129 486 F CA -2.223 55.763 58.000 -0.024 0.000 1.109 486 F CB 0.172 39.170 39.000 -0.003 0.000 1.262 486 F HN 0.265 nan 8.300 nan 0.000 0.534 487 P HA -0.148 nan 4.420 nan 0.000 0.259 487 P C -0.868 176.446 177.300 0.023 0.000 1.155 487 P CA 0.945 63.922 63.100 -0.206 0.000 0.759 487 P CB -0.290 31.171 31.700 -0.398 0.000 0.753 488 Y N -0.316 120.041 120.300 0.095 0.000 4.144 488 Y HA -0.261 4.290 4.550 0.002 0.000 0.216 488 Y C 1.396 177.399 175.900 0.171 0.000 1.115 488 Y CA 1.196 59.374 58.100 0.130 0.000 1.729 488 Y CB -2.189 36.335 38.460 0.107 0.000 1.553 488 Y HN 0.496 nan 8.280 nan 0.000 0.633 489 G N -1.122 107.842 108.800 0.273 0.000 2.932 489 G HA2 0.652 4.614 3.960 0.002 0.000 0.283 489 G HA3 0.652 4.614 3.960 0.002 0.000 0.283 489 G C -0.654 174.424 174.900 0.295 0.000 1.336 489 G CA -0.471 44.787 45.100 0.264 0.000 1.056 489 G HN 0.402 nan 8.290 nan 0.000 0.522 490 W N -1.023 120.423 121.300 0.242 0.000 2.882 490 W HA 0.765 5.426 4.660 0.002 0.000 0.345 490 W C -1.534 175.050 176.519 0.110 0.000 1.125 490 W CA -1.160 56.281 57.345 0.158 0.000 1.167 490 W CB 0.865 30.442 29.460 0.194 0.000 1.431 490 W HN 0.505 nan 8.180 nan 0.000 0.543 491 T N 1.642 116.305 114.554 0.182 0.000 2.916 491 T HA 0.614 4.965 4.350 0.002 0.000 0.298 491 T C -0.924 173.759 174.700 -0.029 0.000 1.031 491 T CA -0.349 61.685 62.100 -0.110 0.000 0.993 491 T CB 1.727 70.472 68.868 -0.203 0.000 1.045 491 T HN 0.636 nan 8.240 nan 0.000 0.454 492 A N 3.464 126.242 122.820 -0.070 0.000 2.331 492 A HA 0.917 5.238 4.320 0.002 0.000 0.320 492 A C -0.365 177.087 177.584 -0.220 0.000 1.138 492 A CA -0.840 51.103 52.037 -0.158 0.000 0.790 492 A CB 0.353 19.305 19.000 -0.080 0.000 1.206 492 A HN 0.924 nan 8.150 nan 0.000 0.470 493 I N -0.675 119.725 120.570 -0.284 0.000 2.892 493 I HA 0.881 5.053 4.170 0.002 0.000 0.306 493 I C -0.498 175.519 176.117 -0.166 0.000 1.078 493 I CA -1.142 60.005 61.300 -0.254 0.000 1.032 493 I CB 2.217 39.830 38.000 -0.645 0.000 1.229 493 I HN 0.720 nan 8.210 nan 0.000 0.435 494 R N 3.593 124.117 120.500 0.039 0.000 2.628 494 R HA 0.736 5.077 4.340 0.002 0.000 0.288 494 R C -1.965 174.515 176.300 0.300 0.000 0.980 494 R CA -0.444 55.688 56.100 0.054 0.000 0.891 494 R CB 1.973 32.323 30.300 0.082 0.000 1.188 494 R HN 0.788 nan 8.270 nan 0.000 0.450 495 F N 0.499 120.464 119.950 0.025 0.000 2.685 495 F HA 0.666 5.194 4.527 0.002 0.000 0.315 495 F C -1.813 173.987 175.800 0.000 0.000 1.126 495 F CA -1.229 56.797 58.000 0.043 0.000 0.950 495 F CB 1.120 40.042 39.000 -0.131 0.000 1.360 495 F HN 0.071 nan 8.300 nan 0.000 0.469 496 V N 1.937 121.959 119.914 0.180 0.000 2.398 496 V HA 0.645 4.766 4.120 0.002 0.000 0.286 496 V C 0.338 176.535 176.094 0.172 0.000 1.026 496 V CA -0.643 61.684 62.300 0.045 0.000 0.868 496 V CB 1.165 33.072 31.823 0.140 0.000 0.982 496 V HN 1.093 nan 8.190 nan 0.000 0.443 497 A N 3.454 126.282 122.820 0.014 0.000 3.030 497 A HA 0.270 4.592 4.320 0.002 0.000 0.273 497 A C 0.726 178.446 177.584 0.228 0.000 1.841 497 A CA -0.010 52.147 52.037 0.200 0.000 1.479 497 A CB -0.684 18.363 19.000 0.078 0.000 1.048 497 A HN 0.938 nan 8.150 nan 0.000 0.612 498 D N -0.579 119.966 120.400 0.241 0.000 2.440 498 D HA 0.046 4.687 4.640 0.002 0.000 0.216 498 D C -0.143 176.235 176.300 0.129 0.000 1.150 498 D CA -0.210 53.882 54.000 0.154 0.000 0.832 498 D CB -0.044 40.819 40.800 0.105 0.000 0.992 498 D HN 0.227 nan 8.370 nan 0.000 0.502 499 N N 1.407 120.208 118.700 0.170 0.000 2.626 499 N HA 0.303 5.044 4.740 0.002 0.000 0.249 499 N C -2.879 172.862 175.510 0.386 0.000 1.021 499 N CA -2.081 51.042 53.050 0.122 0.000 0.886 499 N CB 1.456 39.773 38.487 -0.283 0.000 1.149 499 N HN -0.195 nan 8.380 nan 0.000 0.517 500 P HA 0.204 nan 4.420 nan 0.000 0.260 500 P C 0.127 177.594 177.300 0.278 0.000 1.185 500 P CA 0.536 63.802 63.100 0.278 0.000 0.763 500 P CB 0.347 32.150 31.700 0.171 0.000 0.776 501 G N 1.175 110.062 108.800 0.145 0.000 2.359 501 G HA2 0.254 4.215 3.960 0.002 0.000 0.293 501 G HA3 0.254 4.215 3.960 0.002 0.000 0.293 501 G C -1.906 172.665 174.900 -0.548 0.000 1.300 501 G CA -0.698 44.231 45.100 -0.284 0.000 0.888 501 G HN 0.304 nan 8.290 nan 0.000 0.541 502 V N 0.098 119.510 119.914 -0.836 0.000 2.444 502 V HA 0.720 4.841 4.120 0.002 0.000 0.294 502 V C -1.025 174.677 176.094 -0.654 0.000 1.022 502 V CA -0.310 61.682 62.300 -0.513 0.000 0.850 502 V CB 1.204 32.870 31.823 -0.262 0.000 0.992 502 V HN 0.660 nan 8.190 nan 0.000 0.426 503 W N 2.674 124.023 121.300 0.082 0.000 2.656 503 W HA 0.788 5.449 4.660 0.002 0.000 0.327 503 W C 0.114 176.594 176.519 -0.064 0.000 1.041 503 W CA -0.687 56.693 57.345 0.058 0.000 1.229 503 W CB 1.904 31.465 29.460 0.169 0.000 1.397 503 W HN 0.654 nan 8.180 nan 0.000 0.479 504 A N 3.290 126.112 122.820 0.003 0.000 2.354 504 A HA 0.677 4.998 4.320 0.002 0.000 0.269 504 A C -1.620 175.881 177.584 -0.139 0.000 1.109 504 A CA -0.202 51.739 52.037 -0.160 0.000 0.800 504 A CB 0.419 19.209 19.000 -0.350 0.000 1.045 504 A HN 0.542 nan 8.150 nan 0.000 0.489 505 F N 3.350 123.095 119.950 -0.342 0.000 2.507 505 F HA 0.636 5.165 4.527 0.002 0.000 0.328 505 F C -0.461 175.252 175.800 -0.144 0.000 1.136 505 F CA -0.975 56.810 58.000 -0.359 0.000 0.930 505 F CB 1.258 39.845 39.000 -0.689 0.000 1.166 505 F HN 0.890 nan 8.300 nan 0.000 0.436 506 H N 2.124 121.063 119.070 -0.217 0.000 2.960 506 H HA 0.425 4.982 4.556 0.002 0.000 0.323 506 H C -1.282 173.379 175.328 -1.112 0.000 1.326 506 H CA -1.511 54.114 56.048 -0.705 0.000 1.124 506 H CB 0.685 30.229 29.762 -0.362 0.000 1.853 506 H HN 0.693 nan 8.280 nan 0.000 0.536 507 C N 1.727 120.233 119.300 -1.323 0.000 2.637 507 C HA 0.106 4.567 4.460 0.002 0.000 0.418 507 C C 1.404 176.293 174.990 -0.169 0.000 1.319 507 C CA -0.059 58.398 59.018 -0.935 0.000 1.949 507 C CB -0.967 26.296 27.740 -0.794 0.000 2.639 507 C HN 1.008 nan 8.230 nan 0.000 0.594 508 H N 4.303 123.312 119.070 -0.101 0.000 2.536 508 H HA 0.278 4.835 4.556 0.002 0.000 0.276 508 H C 0.404 175.693 175.328 -0.066 0.000 1.019 508 H CA 0.330 56.400 56.048 0.037 0.000 1.159 508 H CB 0.035 29.868 29.762 0.117 0.000 1.373 508 H HN 0.641 nan 8.280 nan 0.000 0.584 509 I N 1.833 122.362 120.570 -0.068 0.000 2.379 509 I HA -0.071 4.101 4.170 0.002 0.000 0.290 509 I C 1.594 177.584 176.117 -0.212 0.000 1.063 509 I CA -0.077 61.114 61.300 -0.182 0.000 1.351 509 I CB 1.508 39.242 38.000 -0.443 0.000 1.410 509 I HN 0.104 nan 8.210 nan 0.000 0.505 510 E N 8.832 128.918 120.200 -0.190 0.000 2.070 510 E HA -0.181 4.171 4.350 0.002 0.000 0.197 510 E C -0.808 175.708 176.600 -0.140 0.000 1.004 510 E CA 2.095 58.374 56.400 -0.202 0.000 0.805 510 E CB -0.794 28.779 29.700 -0.212 0.000 0.744 510 E HN 0.492 nan 8.360 nan 0.000 0.451 511 P HA -0.181 nan 4.420 nan 0.000 0.216 511 P C 0.841 178.302 177.300 0.267 0.000 1.150 511 P CA 1.716 64.845 63.100 0.049 0.000 0.837 511 P CB -0.245 31.510 31.700 0.092 0.000 0.786 512 H N -0.986 118.092 119.070 0.013 0.000 2.357 512 H HA -0.070 4.488 4.556 0.003 0.000 0.301 512 H C 2.156 177.407 175.328 -0.128 0.000 1.082 512 H CA 0.473 56.423 56.048 -0.162 0.000 1.342 512 H CB -0.289 29.193 29.762 -0.467 0.000 1.389 512 H HN 0.020 nan 8.280 nan 0.000 0.511 513 L N 0.521 121.720 121.223 -0.041 0.000 2.056 513 L HA -0.167 4.174 4.340 0.002 0.000 0.207 513 L C 2.312 179.159 176.870 -0.037 0.000 1.078 513 L CA 1.788 56.548 54.840 -0.133 0.000 0.749 513 L CB -0.664 41.218 42.059 -0.297 0.000 0.901 513 L HN 0.236 nan 8.230 nan 0.000 0.433 514 H N -0.929 118.094 119.070 -0.078 0.000 2.422 514 H HA -0.131 4.426 4.556 0.002 0.000 0.298 514 H C 1.741 177.080 175.328 0.018 0.000 1.098 514 H CA 2.073 58.092 56.048 -0.048 0.000 1.315 514 H CB -0.022 29.708 29.762 -0.054 0.000 1.382 514 H HN 0.371 nan 8.280 nan 0.000 0.523 515 M N -0.908 118.818 119.600 0.210 0.000 2.494 515 M HA 0.171 4.652 4.480 0.002 0.000 0.232 515 M C 1.169 177.573 176.300 0.173 0.000 1.137 515 M CA 0.710 56.145 55.300 0.225 0.000 1.012 515 M CB 1.170 34.029 32.600 0.431 0.000 1.567 515 M HN 0.569 nan 8.290 nan 0.000 0.486 516 G N 0.732 109.588 108.800 0.093 0.000 2.184 516 G HA2 -0.240 3.721 3.960 0.002 0.000 0.206 516 G HA3 -0.240 3.721 3.960 0.002 0.000 0.206 516 G C 0.281 175.228 174.900 0.080 0.000 0.995 516 G CA -0.377 44.769 45.100 0.077 0.000 0.651 516 G HN 0.441 nan 8.290 nan 0.000 0.511 517 M N 1.765 121.390 119.600 0.041 0.000 3.442 517 M HA 0.485 4.967 4.480 0.002 0.000 0.232 517 M C 0.642 176.808 176.300 -0.222 0.000 1.508 517 M CA 1.181 56.436 55.300 -0.074 0.000 1.647 517 M CB -0.721 31.713 32.600 -0.277 0.000 1.126 517 M HN 0.603 nan 8.290 nan 0.000 0.557 518 G N 1.322 110.091 108.800 -0.053 0.000 2.576 518 G HA2 0.588 4.549 3.960 0.002 0.000 0.290 518 G HA3 0.588 4.549 3.960 0.002 0.000 0.290 518 G C -1.667 173.318 174.900 0.142 0.000 1.442 518 G CA -0.565 44.520 45.100 -0.024 0.000 0.792 518 G HN 0.507 nan 8.290 nan 0.000 0.491 519 V N -2.716 117.302 119.914 0.173 0.000 3.158 519 V HA 0.932 5.054 4.120 0.002 0.000 0.311 519 V C -0.633 175.531 176.094 0.117 0.000 1.181 519 V CA -1.186 61.254 62.300 0.233 0.000 1.054 519 V CB 1.582 33.630 31.823 0.376 0.000 1.085 519 V HN 0.866 nan 8.190 nan 0.000 0.446 520 V N 1.620 121.641 119.914 0.178 0.000 2.540 520 V HA 0.615 4.736 4.120 0.002 0.000 0.302 520 V C -1.083 175.216 176.094 0.343 0.000 1.035 520 V CA -0.214 62.104 62.300 0.031 0.000 0.873 520 V CB 1.476 33.096 31.823 -0.339 0.000 0.992 520 V HN 0.713 nan 8.190 nan 0.000 0.428 521 F N 2.603 122.629 119.950 0.126 0.000 2.469 521 F HA 0.875 5.403 4.527 0.002 0.000 0.332 521 F C 0.414 176.292 175.800 0.130 0.000 1.103 521 F CA -1.517 56.604 58.000 0.202 0.000 0.979 521 F CB 1.931 41.182 39.000 0.419 0.000 1.137 521 F HN 0.585 nan 8.300 nan 0.000 0.463 522 A N 3.279 126.220 122.820 0.201 0.000 2.414 522 A HA 0.773 5.094 4.320 0.002 0.000 0.306 522 A C -1.011 176.698 177.584 0.208 0.000 1.054 522 A CA -0.576 51.546 52.037 0.142 0.000 0.724 522 A CB 1.870 20.870 19.000 0.000 0.000 1.267 522 A HN 0.769 nan 8.150 nan 0.000 0.418 523 E N 0.755 121.133 120.200 0.298 0.000 2.352 523 E HA 0.501 4.852 4.350 0.002 0.000 0.280 523 E C 0.317 177.065 176.600 0.246 0.000 0.930 523 E CA -0.550 56.040 56.400 0.315 0.000 0.765 523 E CB 1.209 31.203 29.700 0.490 0.000 1.219 523 E HN 2.095 nan 8.360 nan 0.000 0.434 524 G N 1.909 110.818 108.800 0.182 0.000 2.296 524 G HA2 -0.314 3.647 3.960 0.002 0.000 0.282 524 G HA3 -0.314 3.647 3.960 0.002 0.000 0.282 524 G C 0.747 175.712 174.900 0.109 0.000 1.014 524 G CA 0.539 45.722 45.100 0.140 0.000 0.812 524 G HN 0.433 nan 8.290 nan 0.000 0.508 525 V N -0.195 119.771 119.914 0.086 0.000 2.720 525 V HA -0.175 3.946 4.120 0.002 0.000 0.256 525 V C 2.570 178.683 176.094 0.032 0.000 1.082 525 V CA 2.628 64.960 62.300 0.053 0.000 1.101 525 V CB -0.298 31.548 31.823 0.038 0.000 0.693 525 V HN 0.651 nan 8.190 nan 0.000 0.479 526 E N 0.545 120.766 120.200 0.035 0.000 2.267 526 E HA -0.191 4.160 4.350 0.002 0.000 0.197 526 E C 1.802 178.415 176.600 0.022 0.000 0.998 526 E CA 0.923 57.334 56.400 0.018 0.000 0.830 526 E CB -0.303 29.412 29.700 0.025 0.000 0.751 526 E HN 0.562 nan 8.360 nan 0.000 0.491 527 K N 0.355 120.781 120.400 0.043 0.000 2.387 527 K HA 0.183 4.505 4.320 0.002 0.000 0.198 527 K C -0.289 176.346 176.600 0.059 0.000 1.022 527 K CA -0.135 56.182 56.287 0.051 0.000 1.128 527 K CB 0.900 33.439 32.500 0.066 0.000 0.853 527 K HN -0.051 nan 8.250 nan 0.000 0.523 528 V N 1.265 121.211 119.914 0.053 0.000 2.686 528 V HA 0.142 4.263 4.120 0.002 0.000 0.295 528 V C 1.168 177.299 176.094 0.061 0.000 1.055 528 V CA -0.271 62.073 62.300 0.073 0.000 1.050 528 V CB 1.269 33.130 31.823 0.064 0.000 0.984 528 V HN 0.353 nan 8.190 nan 0.000 0.482 529 G N 3.565 112.425 108.800 0.100 0.000 2.666 529 G HA2 0.272 4.234 3.960 0.002 0.000 0.207 529 G HA3 0.272 4.234 3.960 0.002 0.000 0.207 529 G C 0.052 174.993 174.900 0.068 0.000 1.481 529 G CA -0.650 44.498 45.100 0.079 0.000 1.071 529 G HN 0.639 nan 8.290 nan 0.000 0.572 530 R N -0.414 120.113 120.500 0.046 0.000 2.442 530 R HA 0.289 4.631 4.340 0.002 0.000 0.291 530 R C -0.491 175.771 176.300 -0.064 0.000 1.069 530 R CA -0.147 55.955 56.100 0.003 0.000 1.022 530 R CB 0.072 30.354 30.300 -0.031 0.000 0.976 530 R HN 0.280 nan 8.270 nan 0.000 0.443 531 I N 7.153 127.697 120.570 -0.044 0.000 2.353 531 I HA 0.264 4.436 4.170 0.002 0.000 0.293 531 I C -1.853 174.136 176.117 -0.215 0.000 0.992 531 I CA -2.582 58.646 61.300 -0.121 0.000 1.268 531 I CB 1.736 39.791 38.000 0.092 0.000 1.387 531 I HN 0.489 nan 8.210 nan 0.000 0.478 532 P HA -0.016 nan 4.420 nan 0.000 0.263 532 P C 0.688 177.947 177.300 -0.068 0.000 1.175 532 P CA 0.248 63.171 63.100 -0.295 0.000 0.761 532 P CB 0.433 31.877 31.700 -0.426 0.000 0.794 533 T N 2.216 116.741 114.554 -0.048 0.000 2.737 533 T HA -0.198 4.153 4.350 0.002 0.000 0.269 533 T C 1.508 176.236 174.700 0.046 0.000 1.040 533 T CA 1.430 63.528 62.100 -0.003 0.000 1.142 533 T CB -0.282 68.575 68.868 -0.019 0.000 0.861 533 T HN 0.465 nan 8.240 nan 0.000 0.456 534 K N 0.795 121.265 120.400 0.117 0.000 2.147 534 K HA 0.046 4.368 4.320 0.002 0.000 0.205 534 K C 2.432 179.092 176.600 0.100 0.000 1.049 534 K CA 1.047 57.430 56.287 0.160 0.000 0.936 534 K CB -0.178 32.532 32.500 0.350 0.000 0.722 534 K HN 0.308 nan 8.250 nan 0.000 0.446 535 A N 0.139 123.058 122.820 0.166 0.000 2.066 535 A HA -0.053 4.268 4.320 0.002 0.000 0.218 535 A C 1.621 179.238 177.584 0.054 0.000 1.157 535 A CA 0.970 53.058 52.037 0.084 0.000 0.670 535 A CB 0.006 19.135 19.000 0.214 0.000 0.804 535 A HN 0.088 nan 8.150 nan 0.000 0.453 536 L N -1.454 119.797 121.223 0.048 0.000 2.513 536 L HA 0.290 4.632 4.340 0.002 0.000 0.222 536 L C 1.808 178.673 176.870 -0.008 0.000 1.096 536 L CA 0.791 55.645 54.840 0.024 0.000 0.857 536 L CB -0.801 41.264 42.059 0.010 0.000 1.026 536 L HN 0.316 nan 8.230 nan 0.000 0.469 537 A N 0.027 122.844 122.820 -0.005 0.000 3.074 537 A HA 0.402 4.723 4.320 0.002 0.000 0.251 537 A C 0.440 178.013 177.584 -0.018 0.000 1.695 537 A CA 0.082 52.111 52.037 -0.015 0.000 1.343 537 A CB -1.409 17.588 19.000 -0.004 0.000 1.078 537 A HN 0.496 nan 8.150 nan 0.000 0.644 538 c N -3.548 115.039 118.600 -0.022 0.000 3.295 538 c HA 0.892 5.463 4.570 0.002 0.000 0.341 538 c C 1.017 175.093 174.090 -0.024 0.000 1.418 538 c CA -0.133 56.183 56.329 -0.023 0.000 1.240 538 c CB 0.746 43.241 42.510 -0.026 0.000 1.562 538 c HN 2.304 nan 8.230 nan 0.000 0.457 539 G N 0.811 109.596 108.800 -0.024 0.000 2.574 539 G HA2 0.194 4.155 3.960 0.002 0.000 0.282 539 G HA3 0.194 4.155 3.960 0.002 0.000 0.282 539 G C 0.988 175.879 174.900 -0.015 0.000 1.257 539 G CA 0.949 46.036 45.100 -0.021 0.000 0.956 539 G HN 2.506 nan 8.290 nan 0.000 0.560 540 G N -1.128 107.670 108.800 -0.003 0.000 2.443 540 G HA2 0.121 4.083 3.960 0.002 0.000 0.219 540 G HA3 0.121 4.083 3.960 0.002 0.000 0.219 540 G C 1.964 176.862 174.900 -0.004 0.000 1.131 540 G CA 2.456 47.560 45.100 0.007 0.000 0.775 540 G HN 1.708 nan 8.290 nan 0.000 0.547 541 T N 0.381 114.930 114.554 -0.009 0.000 2.737 541 T HA 0.078 4.430 4.350 0.002 0.000 0.265 541 T C 2.662 177.312 174.700 -0.083 0.000 1.038 541 T CA 1.546 63.618 62.100 -0.047 0.000 1.144 541 T CB -0.526 68.332 68.868 -0.018 0.000 0.866 541 T HN 0.286 nan 8.240 nan 0.000 0.434 542 A N 2.107 124.893 122.820 -0.056 0.000 1.933 542 A HA -0.071 4.251 4.320 0.002 0.000 0.218 542 A C 2.314 179.866 177.584 -0.054 0.000 1.175 542 A CA 2.138 54.142 52.037 -0.056 0.000 0.628 542 A CB -0.749 18.230 19.000 -0.036 0.000 0.814 542 A HN 0.519 nan 8.150 nan 0.000 0.444 543 K N 0.850 121.225 120.400 -0.042 0.000 2.001 543 K HA -0.182 4.139 4.320 0.002 0.000 0.214 543 K C 2.281 178.853 176.600 -0.046 0.000 1.050 543 K CA 2.468 58.732 56.287 -0.038 0.000 0.934 543 K CB -0.403 32.079 32.500 -0.029 0.000 0.718 543 K HN 0.561 nan 8.250 nan 0.000 0.443 544 S N -0.209 115.460 115.700 -0.053 0.000 2.387 544 S HA -0.081 4.390 4.470 0.002 0.000 0.226 544 S C 1.793 176.340 174.600 -0.087 0.000 1.026 544 S CA 0.928 59.093 58.200 -0.057 0.000 0.972 544 S CB -0.298 62.875 63.200 -0.045 0.000 0.814 544 S HN 0.159 nan 8.310 nan 0.000 0.477 545 L N 1.018 122.162 121.223 -0.131 0.000 2.270 545 L HA 0.422 4.764 4.340 0.002 0.000 0.210 545 L C 0.778 177.591 176.870 -0.094 0.000 1.104 545 L CA 0.423 55.170 54.840 -0.154 0.000 0.804 545 L CB -0.770 41.142 42.059 -0.246 0.000 0.937 545 L HN 0.334 nan 8.230 nan 0.000 0.450 546 I N 0.893 121.421 120.570 -0.071 0.000 2.363 546 I HA -0.025 4.147 4.170 0.002 0.000 0.292 546 I C 0.333 176.426 176.117 -0.039 0.000 1.075 546 I CA -0.187 61.084 61.300 -0.049 0.000 1.333 546 I CB 0.177 38.154 38.000 -0.039 0.000 1.415 546 I HN 0.110 nan 8.210 nan 0.000 0.502 547 N N 5.711 124.391 118.700 -0.034 0.000 2.399 547 N HA 0.072 4.813 4.740 0.002 0.000 0.259 547 N C -0.501 174.996 175.510 -0.020 0.000 1.160 547 N CA 0.145 53.179 53.050 -0.026 0.000 0.946 547 N CB 0.238 38.712 38.487 -0.021 0.000 1.156 547 N HN 0.457 nan 8.380 nan 0.000 0.489 548 N N 4.011 122.699 118.700 -0.019 0.000 2.722 548 N HA 0.302 5.044 4.740 0.002 0.000 0.242 548 N C -2.719 172.782 175.510 -0.015 0.000 1.398 548 N CA -1.233 51.808 53.050 -0.016 0.000 0.755 548 N CB 0.750 39.227 38.487 -0.017 0.000 1.268 548 N HN 0.410 nan 8.380 nan 0.000 0.522 549 P HA 0.320 nan 4.420 nan 0.000 0.277 549 P C -1.172 176.122 177.300 -0.010 0.000 1.276 549 P CA -0.125 62.968 63.100 -0.011 0.000 0.788 549 P CB 0.789 32.484 31.700 -0.010 0.000 1.114 550 K N 0.283 120.677 120.400 -0.010 0.000 2.652 550 K HA 0.285 4.606 4.320 0.002 0.000 0.249 550 K C -0.486 176.110 176.600 -0.007 0.000 0.986 550 K CA -0.803 55.479 56.287 -0.009 0.000 0.867 550 K CB 0.841 33.335 32.500 -0.010 0.000 1.201 550 K HN 0.454 nan 8.250 nan 0.000 0.450 551 N N 0.633 119.329 118.700 -0.006 0.000 2.878 551 N HA -0.113 4.629 4.740 0.002 0.000 0.247 551 N C -1.996 173.512 175.510 -0.005 0.000 1.021 551 N CA 0.916 53.963 53.050 -0.005 0.000 0.873 551 N CB -1.459 37.025 38.487 -0.005 0.000 1.128 551 N HN 0.845 nan 8.380 nan 0.000 0.571 552 P HA 0.000 nan 4.420 nan 0.000 0.216 552 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 552 P CB 0.000 31.697 31.700 -0.005 0.000 0.726