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 1we5_1_C DATA FIRST_RESID 2 DATA SEQUENCE KISDGNWLIQ PGLNLIHPLQ VFEVEQQDNE XVVYAAPRDV RERTWQLDTP DATA SEQUENCE LFTLRFFSPQ EGIVGVRIEH FQGALNNGPH YPLNILQDVK VTIENTERYA DATA SEQUENCE EFKSGNLSAR VSKGEFWSLD FLRNGERITG SQVKNNGYVQ DTNNQRNYXF DATA SEQUENCE ERLDLGVGET VYGLGERFTA LVRNGQTVET WNRDGGTSTE QAYKNIPFYX DATA SEQUENCE TNRGYGVLVN HPQCVSFEVG SEKVSKVQFS VESEYLEYFV IDGPTPKAVL DATA SEQUENCE DRYTRFTGRP ALPPAWSFGL WLTTSFTTNY DEATVNSFID GXAERNLPLH DATA SEQUENCE VFHFDCFWXK AFQWCDFEWD PLTFPDPEGX IRRLKAKGLK ICVWINPYIG DATA SEQUENCE QKSPVFKELQ EKGYLLKRPD GSLWQWDKWQ PGLAIYDFTN PDACKWYADK DATA SEQUENCE LKGLVAXGVD CFKTDFGERI PTDVQWFDGS DPQKXHNHYA YIYNELVWNV DATA SEQUENCE LKDTVGEEEA VLFARSASVG AQKFPVHWGG DCYANYESXA ESLRGGLSIG DATA SEQUENCE LSGFGFWSHD IXXXXNTAPA HVYKRWCAFG LLSSHSRLHX XXXXXXXXXX DATA SEQUENCE XDESCDVVRF FTQLKCRXXP YLYREAARAN ARGTPXXRAX XXEFPDDPAC DATA SEQUENCE DYLDRQYXLG DNVXVAPVFT EAGDVQFYLP EGRWTHLWHN DELDGSRWHK DATA SEQUENCE QQHGFLSLPV YVRDNTLLAL GNNDQRPDYV WHEGTAFHLF NLQDGHEAVC DATA SEQUENCE EVPAADGSVI FTLKAARTGN TITVTGAGEA KNWTLCLRNV VKVNGLQDGS DATA SEQUENCE QAESEQGLVV KPQGNALTIT L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.449 176.600 -0.251 0.000 0.988 2 K CA 0.000 56.169 56.287 -0.196 0.000 0.838 2 K CB 0.000 32.411 32.500 -0.148 0.000 1.064 3 I N -0.347 120.048 120.570 -0.292 0.000 3.136 3 I HA 0.042 4.212 4.170 -0.000 0.000 0.262 3 I C 0.710 176.669 176.117 -0.264 0.000 1.132 3 I CA 0.137 61.222 61.300 -0.358 0.000 1.450 3 I CB 0.366 38.011 38.000 -0.592 0.000 1.315 3 I HN 0.593 nan 8.210 nan 0.000 0.460 4 S N 0.122 115.684 115.700 -0.231 0.000 2.672 4 S HA 0.244 4.714 4.470 -0.000 0.000 0.276 4 S C -0.421 174.103 174.600 -0.127 0.000 1.207 4 S CA -0.543 57.561 58.200 -0.160 0.000 1.002 4 S CB 1.837 64.945 63.200 -0.152 0.000 0.998 4 S HN 0.189 nan 8.310 nan 0.000 0.542 5 D N 0.193 120.539 120.400 -0.091 0.000 2.434 5 D HA 0.515 5.155 4.640 -0.000 0.000 0.275 5 D C 0.621 176.888 176.300 -0.055 0.000 1.172 5 D CA 0.815 54.776 54.000 -0.065 0.000 0.916 5 D CB -0.068 40.708 40.800 -0.040 0.000 1.041 5 D HN 1.136 nan 8.370 nan 0.000 0.501 6 G N 3.001 111.749 108.800 -0.087 0.000 2.760 6 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.246 6 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.246 6 G C 0.666 175.439 174.900 -0.212 0.000 1.359 6 G CA -0.107 44.923 45.100 -0.116 0.000 0.861 6 G HN 0.462 nan 8.290 nan 0.000 0.541 7 N N -0.389 118.063 118.700 -0.414 0.000 2.457 7 N HA 0.000 4.740 4.740 -0.000 0.000 0.180 7 N C 1.708 176.821 175.510 -0.662 0.000 1.050 7 N CA 1.772 54.431 53.050 -0.651 0.000 0.906 7 N CB 0.032 37.932 38.487 -0.977 0.000 0.968 7 N HN 0.670 nan 8.380 nan 0.000 0.445 8 W N 0.028 121.316 121.300 -0.020 0.000 3.013 8 W HA 0.346 5.006 4.660 -0.000 0.000 0.280 8 W C -0.052 176.458 176.519 -0.016 0.000 1.249 8 W CA -0.716 56.620 57.345 -0.015 0.000 1.577 8 W CB 0.422 29.874 29.460 -0.012 0.000 1.057 8 W HN -0.130 nan 8.180 nan 0.000 0.613 9 L N -0.238 121.067 121.223 0.137 0.000 2.256 9 L HA 0.598 4.938 4.340 -0.000 0.000 0.261 9 L C -0.391 176.484 176.870 0.008 0.000 1.022 9 L CA -1.209 53.678 54.840 0.077 0.000 0.828 9 L CB 1.321 43.422 42.059 0.070 0.000 1.374 9 L HN -0.267 nan 8.230 nan 0.000 0.436 10 I N 0.066 120.634 120.570 -0.004 0.000 2.569 10 I HA 0.314 4.484 4.170 -0.000 0.000 0.296 10 I C -0.442 175.642 176.117 -0.054 0.000 1.028 10 I CA -1.015 60.259 61.300 -0.043 0.000 1.082 10 I CB 1.786 39.766 38.000 -0.033 0.000 1.264 10 I HN 0.446 nan 8.210 nan 0.000 0.429 11 Q N 4.788 124.535 119.800 -0.087 0.000 2.304 11 Q HA 0.083 4.423 4.340 -0.000 0.000 0.301 11 Q C -2.249 173.709 176.000 -0.070 0.000 1.063 11 Q CA -1.146 54.605 55.803 -0.085 0.000 0.947 11 Q CB -0.094 28.572 28.738 -0.120 0.000 1.201 11 Q HN 0.231 nan 8.270 nan 0.000 0.389 12 P HA -0.042 nan 4.420 nan 0.000 0.262 12 P C 0.612 177.883 177.300 -0.047 0.000 1.182 12 P CA 1.204 64.280 63.100 -0.040 0.000 0.761 12 P CB 0.364 32.045 31.700 -0.033 0.000 0.795 13 G N 1.872 110.649 108.800 -0.038 0.000 2.199 13 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.254 13 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.254 13 G C -0.146 174.724 174.900 -0.050 0.000 0.982 13 G CA -0.333 44.744 45.100 -0.038 0.000 0.632 13 G HN 0.461 nan 8.290 nan 0.000 0.529 14 L N 0.736 121.920 121.223 -0.065 0.000 2.295 14 L HA 0.473 4.813 4.340 -0.000 0.000 0.285 14 L C -0.016 176.813 176.870 -0.069 0.000 1.035 14 L CA -0.670 54.119 54.840 -0.085 0.000 0.806 14 L CB 1.403 43.386 42.059 -0.127 0.000 1.214 14 L HN 0.146 nan 8.230 nan 0.000 0.426 15 N N 4.228 122.886 118.700 -0.071 0.000 2.446 15 N HA 0.589 5.329 4.740 -0.000 0.000 0.265 15 N C -1.125 174.342 175.510 -0.072 0.000 0.975 15 N CA -0.564 52.455 53.050 -0.052 0.000 0.928 15 N CB 1.660 40.128 38.487 -0.032 0.000 1.160 15 N HN 0.372 nan 8.380 nan 0.000 0.495 16 L N 3.059 124.241 121.223 -0.070 0.000 2.334 16 L HA 0.714 5.054 4.340 -0.000 0.000 0.270 16 L C -0.233 176.518 176.870 -0.198 0.000 1.018 16 L CA -1.194 53.568 54.840 -0.131 0.000 0.811 16 L CB 1.313 43.295 42.059 -0.128 0.000 1.271 16 L HN 0.481 nan 8.230 nan 0.000 0.443 17 I N -1.617 118.776 120.570 -0.295 0.000 2.752 17 I HA 0.589 4.759 4.170 -0.000 0.000 0.295 17 I C -1.412 174.530 176.117 -0.291 0.000 1.219 17 I CA -0.708 60.470 61.300 -0.203 0.000 1.030 17 I CB 2.211 40.221 38.000 0.016 0.000 1.259 17 I HN 0.567 nan 8.210 nan 0.000 0.423 18 H N 2.717 121.851 119.070 0.105 0.000 2.907 18 H HA 0.615 5.171 4.556 -0.000 0.000 0.361 18 H C -2.848 172.260 175.328 -0.367 0.000 1.194 18 H CA -2.534 53.370 56.048 -0.242 0.000 1.152 18 H CB 1.474 31.088 29.762 -0.246 0.000 1.867 18 H HN 0.371 nan 8.280 nan 0.000 0.561 19 P HA 0.145 nan 4.420 nan 0.000 0.280 19 P C 0.036 176.615 177.300 -1.203 0.000 1.386 19 P CA 0.122 62.703 63.100 -0.865 0.000 0.899 19 P CB 0.460 31.481 31.700 -1.131 0.000 1.098 20 L N 1.552 122.420 121.223 -0.592 0.000 2.515 20 L HA 0.229 4.569 4.340 -0.000 0.000 0.223 20 L C 1.029 177.880 176.870 -0.030 0.000 1.079 20 L CA 0.562 55.190 54.840 -0.354 0.000 0.857 20 L CB 0.274 42.278 42.059 -0.092 0.000 1.050 20 L HN 0.346 nan 8.230 nan 0.000 0.476 21 Q N 0.603 120.429 119.800 0.043 0.000 2.284 21 Q HA 0.330 4.670 4.340 -0.000 0.000 0.269 21 Q C -1.353 174.884 176.000 0.395 0.000 1.026 21 Q CA -0.393 55.582 55.803 0.288 0.000 0.831 21 Q CB 3.214 32.060 28.738 0.181 0.000 1.322 21 Q HN -0.156 nan 8.270 nan 0.000 0.419 22 V N 5.222 125.443 119.914 0.511 0.000 2.521 22 V HA 0.019 4.139 4.120 -0.000 0.000 0.286 22 V C 0.458 176.766 176.094 0.357 0.000 1.034 22 V CA 0.671 63.245 62.300 0.456 0.000 1.045 22 V CB 0.434 32.442 31.823 0.309 0.000 0.974 22 V HN 0.820 nan 8.190 nan 0.000 0.480 23 F N 3.586 123.678 119.950 0.237 0.000 2.453 23 F HA 0.386 4.913 4.527 -0.000 0.000 0.284 23 F C 0.860 176.760 175.800 0.166 0.000 1.065 23 F CA 0.572 58.675 58.000 0.172 0.000 1.411 23 F CB 0.521 39.613 39.000 0.154 0.000 1.131 23 F HN 0.553 nan 8.300 nan 0.000 0.582 24 E N 0.118 120.338 120.200 0.034 0.000 2.392 24 E HA 0.515 4.865 4.350 -0.000 0.000 0.279 24 E C -2.034 174.691 176.600 0.208 0.000 0.964 24 E CA -0.757 55.609 56.400 -0.057 0.000 0.777 24 E CB 2.442 32.020 29.700 -0.203 0.000 1.249 24 E HN -0.155 nan 8.360 nan 0.000 0.449 25 V N 2.966 122.953 119.914 0.121 0.000 2.443 25 V HA 0.382 4.502 4.120 -0.000 0.000 0.293 25 V C -0.713 175.456 176.094 0.125 0.000 1.021 25 V CA -0.627 61.753 62.300 0.132 0.000 0.848 25 V CB 1.519 33.386 31.823 0.073 0.000 0.998 25 V HN 0.668 nan 8.190 nan 0.000 0.424 26 E N 3.959 124.257 120.200 0.164 0.000 2.210 26 E HA 0.483 4.832 4.350 -0.000 0.000 0.266 26 E C -0.930 175.739 176.600 0.115 0.000 0.883 26 E CA -0.624 55.863 56.400 0.146 0.000 0.761 26 E CB 2.052 31.886 29.700 0.224 0.000 1.156 26 E HN 0.722 nan 8.360 nan 0.000 0.412 27 Q N 2.971 122.827 119.800 0.094 0.000 2.241 27 Q HA 0.200 4.540 4.340 -0.000 0.000 0.254 27 Q C -1.255 174.795 176.000 0.084 0.000 0.917 27 Q CA -0.614 55.246 55.803 0.094 0.000 0.919 27 Q CB 1.286 30.074 28.738 0.082 0.000 1.237 27 Q HN 0.397 nan 8.270 nan 0.000 0.434 28 Q N 4.100 123.952 119.800 0.087 0.000 2.786 28 Q HA 0.112 4.452 4.340 -0.000 0.000 0.240 28 Q C -1.751 174.290 176.000 0.069 0.000 0.928 28 Q CA -0.362 55.481 55.803 0.067 0.000 0.721 28 Q CB 0.617 29.387 28.738 0.053 0.000 1.318 28 Q HN 0.805 nan 8.270 nan 0.000 0.474 29 D N 3.951 124.392 120.400 0.069 0.000 4.755 29 D HA -0.283 4.356 4.640 -0.000 0.000 0.197 29 D C -0.383 175.979 176.300 0.104 0.000 1.031 29 D CA 1.392 55.436 54.000 0.073 0.000 1.058 29 D CB -0.138 40.691 40.800 0.049 0.000 0.992 29 D HN 0.843 nan 8.370 nan 0.000 0.549 30 N N 0.830 119.618 118.700 0.146 0.000 2.951 30 N HA -0.210 4.530 4.740 -0.000 0.000 0.218 30 N C -0.096 175.632 175.510 0.363 0.000 0.858 30 N CA 1.992 55.181 53.050 0.232 0.000 1.050 30 N CB -0.740 37.856 38.487 0.183 0.000 1.012 30 N HN 0.846 nan 8.380 nan 0.000 0.611 34 V N 4.895 124.785 119.914 -0.040 0.000 2.444 34 V HA 0.541 4.661 4.120 -0.000 0.000 0.294 34 V C -1.122 174.948 176.094 -0.041 0.000 1.022 34 V CA -0.744 61.596 62.300 0.067 0.000 0.850 34 V CB 1.819 33.804 31.823 0.270 0.000 0.992 34 V HN 0.759 nan 8.190 nan 0.000 0.426 35 Y N 2.929 123.390 120.300 0.267 0.000 2.341 35 Y HA 0.698 5.248 4.550 -0.000 0.000 0.340 35 Y C 0.526 176.636 175.900 0.350 0.000 0.997 35 Y CA -0.383 57.894 58.100 0.294 0.000 1.149 35 Y CB 1.639 40.297 38.460 0.330 0.000 1.171 35 Y HN 0.713 nan 8.280 nan 0.000 0.494 36 A N 2.555 125.628 122.820 0.420 0.000 2.330 36 A HA 0.860 5.180 4.320 -0.000 0.000 0.313 36 A C -0.590 177.136 177.584 0.236 0.000 1.124 36 A CA -0.655 51.571 52.037 0.315 0.000 0.774 36 A CB 0.534 19.589 19.000 0.091 0.000 1.198 36 A HN 0.796 nan 8.150 nan 0.000 0.465 37 A N 3.475 126.398 122.820 0.172 0.000 2.302 37 A HA 0.761 5.081 4.320 -0.000 0.000 0.285 37 A C -1.757 175.862 177.584 0.057 0.000 1.105 37 A CA -1.576 50.509 52.037 0.081 0.000 0.816 37 A CB 0.373 19.391 19.000 0.031 0.000 1.067 37 A HN 0.578 nan 8.150 nan 0.000 0.489 38 P HA 0.090 nan 4.420 nan 0.000 0.255 38 P C -0.207 177.101 177.300 0.012 0.000 1.248 38 P CA 0.419 63.556 63.100 0.060 0.000 0.807 38 P CB -0.014 31.725 31.700 0.065 0.000 1.150 39 R N -2.285 118.206 120.500 -0.015 0.000 2.712 39 R HA 0.368 4.708 4.340 -0.000 0.000 0.272 39 R C -1.286 175.012 176.300 -0.003 0.000 1.032 39 R CA -0.854 55.235 56.100 -0.020 0.000 0.874 39 R CB -0.345 29.910 30.300 -0.075 0.000 1.256 39 R HN -0.367 nan 8.270 nan 0.000 0.468 40 D N 0.865 121.280 120.400 0.025 0.000 2.586 40 D HA 0.004 4.644 4.640 -0.000 0.000 0.234 40 D C -0.357 175.981 176.300 0.063 0.000 1.132 40 D CA 0.572 54.608 54.000 0.061 0.000 0.860 40 D CB 1.303 42.151 40.800 0.081 0.000 1.159 40 D HN 0.372 nan 8.370 nan 0.000 0.490 41 V N 5.608 125.577 119.914 0.092 0.000 3.199 41 V HA 0.121 4.240 4.120 -0.000 0.000 0.331 41 V C 1.819 178.010 176.094 0.162 0.000 1.446 41 V CA -0.167 62.188 62.300 0.092 0.000 1.120 41 V CB -0.196 31.632 31.823 0.008 0.000 1.051 41 V HN 0.534 nan 8.190 nan 0.000 0.495 42 R N 0.525 121.119 120.500 0.156 0.000 2.091 42 R HA -0.046 4.294 4.340 -0.000 0.000 0.238 42 R C 0.524 176.909 176.300 0.141 0.000 1.136 42 R CA 0.946 57.136 56.100 0.150 0.000 0.959 42 R CB 0.050 30.411 30.300 0.103 0.000 0.856 42 R HN 0.448 nan 8.270 nan 0.000 0.437 43 E N 0.794 121.075 120.200 0.134 0.000 2.338 43 E HA 0.027 4.377 4.350 -0.000 0.000 0.272 43 E C 0.792 177.470 176.600 0.130 0.000 1.029 43 E CA 0.045 56.514 56.400 0.115 0.000 0.872 43 E CB 0.842 30.603 29.700 0.101 0.000 1.015 43 E HN 0.150 nan 8.360 nan 0.000 0.417 44 R N 0.689 121.252 120.500 0.105 0.000 2.103 44 R HA -0.092 4.248 4.340 -0.000 0.000 0.242 44 R C 1.053 177.414 176.300 0.102 0.000 1.142 44 R CA 1.553 57.714 56.100 0.102 0.000 0.960 44 R CB -0.567 29.779 30.300 0.076 0.000 0.858 44 R HN 0.621 nan 8.270 nan 0.000 0.439 45 T N -3.138 111.471 114.554 0.091 0.000 2.856 45 T HA -0.102 4.248 4.350 -0.000 0.000 0.306 45 T C 0.568 175.421 174.700 0.255 0.000 1.062 45 T CA -0.174 61.987 62.100 0.102 0.000 1.083 45 T CB 0.603 69.472 68.868 0.001 0.000 0.984 45 T HN 0.628 nan 8.240 nan 0.000 0.542 46 W N -0.044 121.247 121.300 -0.015 0.000 2.589 46 W HA -0.254 4.406 4.660 -0.000 0.000 0.272 46 W C 0.650 177.142 176.519 -0.045 0.000 1.060 46 W CA 0.215 57.547 57.345 -0.021 0.000 0.533 46 W CB -0.850 28.605 29.460 -0.008 0.000 2.084 46 W HN 0.751 nan 8.180 nan 0.000 1.371 47 Q N 1.073 120.960 119.800 0.146 0.000 2.823 47 Q HA 0.286 4.626 4.340 -0.000 0.000 0.370 47 Q C -0.285 175.673 176.000 -0.070 0.000 1.110 47 Q CA 0.198 55.980 55.803 -0.036 0.000 0.990 47 Q CB -0.291 28.428 28.738 -0.032 0.000 1.383 47 Q HN 0.274 nan 8.270 nan 0.000 0.430 48 L N -4.697 116.494 121.223 -0.054 0.000 3.020 48 L HA 0.497 4.837 4.340 -0.000 0.000 0.273 48 L C -0.683 176.127 176.870 -0.100 0.000 1.018 48 L CA -0.947 53.857 54.840 -0.059 0.000 0.950 48 L CB 0.891 42.958 42.059 0.014 0.000 1.510 48 L HN -0.018 nan 8.230 nan 0.000 0.404 49 D N -1.012 119.332 120.400 -0.094 0.000 2.716 49 D HA -0.049 4.591 4.640 -0.000 0.000 0.239 49 D C -0.421 175.746 176.300 -0.220 0.000 1.125 49 D CA 1.987 55.911 54.000 -0.126 0.000 0.681 49 D CB -0.640 40.099 40.800 -0.101 0.000 1.070 49 D HN 1.185 nan 8.370 nan 0.000 0.432 50 T N -1.376 113.067 114.554 -0.185 0.000 3.012 50 T HA 0.573 4.923 4.350 -0.000 0.000 0.330 50 T C -2.612 171.996 174.700 -0.154 0.000 1.321 50 T CA -1.236 60.745 62.100 -0.199 0.000 1.067 50 T CB 1.369 70.085 68.868 -0.252 0.000 1.235 50 T HN -0.160 nan 8.240 nan 0.000 0.479 51 P HA 0.645 nan 4.420 nan 0.000 0.274 51 P C -1.444 175.739 177.300 -0.196 0.000 1.260 51 P CA -0.652 62.346 63.100 -0.172 0.000 0.793 51 P CB 0.402 31.966 31.700 -0.226 0.000 1.048 52 L N 0.075 121.149 121.223 -0.247 0.000 2.588 52 L HA 0.443 4.783 4.340 -0.000 0.000 0.263 52 L C -1.646 175.122 176.870 -0.170 0.000 0.935 52 L CA -0.240 54.520 54.840 -0.133 0.000 0.891 52 L CB 0.912 42.948 42.059 -0.037 0.000 1.318 52 L HN 0.147 nan 8.230 nan 0.000 0.409 53 F N 2.325 122.303 119.950 0.047 0.000 2.385 53 F HA 0.584 5.110 4.527 -0.000 0.000 0.336 53 F C 0.678 176.521 175.800 0.073 0.000 1.100 53 F CA -0.105 57.918 58.000 0.037 0.000 1.116 53 F CB 1.855 40.841 39.000 -0.023 0.000 1.166 53 F HN 0.359 nan 8.300 nan 0.000 0.511 54 T N 5.150 119.825 114.554 0.202 0.000 2.788 54 T HA 0.516 4.866 4.350 -0.000 0.000 0.296 54 T C -0.670 174.012 174.700 -0.030 0.000 1.009 54 T CA -0.493 61.602 62.100 -0.009 0.000 0.949 54 T CB 0.444 69.304 68.868 -0.013 0.000 0.946 54 T HN 0.139 nan 8.240 nan 0.000 0.453 55 L N 4.294 125.468 121.223 -0.081 0.000 2.287 55 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 55 L C 0.428 177.140 176.870 -0.262 0.000 1.022 55 L CA -0.305 54.445 54.840 -0.150 0.000 0.814 55 L CB 1.047 43.097 42.059 -0.016 0.000 1.217 55 L HN 0.407 nan 8.230 nan 0.000 0.420 56 R N 3.618 123.891 120.500 -0.379 0.000 2.387 56 R HA 0.600 4.940 4.340 -0.000 0.000 0.314 56 R C -1.358 174.679 176.300 -0.438 0.000 0.958 56 R CA -0.522 55.413 56.100 -0.274 0.000 0.846 56 R CB 1.460 31.648 30.300 -0.186 0.000 1.147 56 R HN 0.272 nan 8.270 nan 0.000 0.447 57 F N 4.137 123.980 119.950 -0.179 0.000 2.444 57 F HA 0.509 5.036 4.527 -0.000 0.000 0.342 57 F C 0.020 175.387 175.800 -0.721 0.000 1.121 57 F CA -0.723 56.994 58.000 -0.472 0.000 0.997 57 F CB 1.030 39.656 39.000 -0.624 0.000 1.130 57 F HN 0.440 nan 8.300 nan 0.000 0.454 58 F N -0.393 119.143 119.950 -0.690 0.000 2.754 58 F HA 0.778 5.305 4.527 -0.000 0.000 0.320 58 F C -0.879 174.902 175.800 -0.032 0.000 1.156 58 F CA -1.264 56.483 58.000 -0.422 0.000 0.950 58 F CB 1.778 40.698 39.000 -0.133 0.000 1.388 58 F HN 0.220 nan 8.300 nan 0.000 0.485 59 S N 1.402 117.287 115.700 0.308 0.000 2.756 59 S HA 0.446 4.916 4.470 -0.000 0.000 0.303 59 S C -2.104 172.590 174.600 0.156 0.000 1.135 59 S CA -1.456 56.864 58.200 0.201 0.000 1.066 59 S CB 1.494 64.883 63.200 0.316 0.000 1.008 59 S HN 0.563 nan 8.310 nan 0.000 0.482 60 P HA 0.012 nan 4.420 nan 0.000 0.231 60 P C -0.138 177.091 177.300 -0.118 0.000 1.168 60 P CA 0.660 63.749 63.100 -0.019 0.000 0.779 60 P CB 0.008 31.569 31.700 -0.232 0.000 0.844 61 Q N -2.586 117.114 119.800 -0.167 0.000 2.848 61 Q HA 0.189 4.529 4.340 -0.000 0.000 0.288 61 Q C -0.968 174.970 176.000 -0.103 0.000 0.907 61 Q CA -0.919 54.808 55.803 -0.127 0.000 0.792 61 Q CB 0.227 28.864 28.738 -0.168 0.000 1.534 61 Q HN -0.250 nan 8.270 nan 0.000 0.419 62 E N 0.257 120.417 120.200 -0.067 0.000 2.694 62 E HA 0.072 4.422 4.350 -0.000 0.000 0.250 62 E C 0.754 177.322 176.600 -0.054 0.000 0.963 62 E CA 2.441 58.811 56.400 -0.049 0.000 0.949 62 E CB -0.038 29.638 29.700 -0.041 0.000 0.911 62 E HN 0.953 nan 8.360 nan 0.000 0.500 63 G N 4.253 113.035 108.800 -0.031 0.000 2.159 63 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.256 63 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.256 63 G C 0.336 175.231 174.900 -0.008 0.000 0.977 63 G CA 0.305 45.398 45.100 -0.013 0.000 0.652 63 G HN 0.525 nan 8.290 nan 0.000 0.531 64 I N 0.842 121.387 120.570 -0.042 0.000 2.418 64 I HA 0.479 4.649 4.170 -0.000 0.000 0.287 64 I C -0.202 175.928 176.117 0.022 0.000 1.008 64 I CA -1.083 60.180 61.300 -0.060 0.000 1.104 64 I CB 2.149 39.961 38.000 -0.313 0.000 1.264 64 I HN -0.134 nan 8.210 nan 0.000 0.438 65 V N 5.304 125.274 119.914 0.093 0.000 2.384 65 V HA 0.529 4.649 4.120 -0.000 0.000 0.287 65 V C 0.615 176.661 176.094 -0.080 0.000 1.020 65 V CA -0.475 61.896 62.300 0.117 0.000 0.850 65 V CB 1.594 33.596 31.823 0.299 0.000 0.987 65 V HN 0.879 nan 8.190 nan 0.000 0.436 66 G N 3.586 112.094 108.800 -0.487 0.000 2.377 66 G HA2 0.589 4.549 3.960 -0.000 0.000 0.299 66 G HA3 0.589 4.549 3.960 -0.000 0.000 0.299 66 G C -0.969 173.350 174.900 -0.968 0.000 1.150 66 G CA -0.357 44.040 45.100 -1.172 0.000 0.847 66 G HN 0.576 nan 8.290 nan 0.000 0.501 67 V N 2.227 121.571 119.914 -0.949 0.000 2.525 67 V HA 0.527 4.647 4.120 -0.000 0.000 0.299 67 V C -0.025 175.722 176.094 -0.577 0.000 1.034 67 V CA -0.897 60.904 62.300 -0.831 0.000 0.863 67 V CB 1.595 32.825 31.823 -0.987 0.000 0.999 67 V HN 0.815 nan 8.190 nan 0.000 0.423 68 R N 5.042 125.343 120.500 -0.331 0.000 2.409 68 R HA 0.697 5.037 4.340 -0.000 0.000 0.313 68 R C -1.494 174.755 176.300 -0.086 0.000 0.953 68 R CA -0.554 55.498 56.100 -0.080 0.000 0.849 68 R CB 1.253 31.547 30.300 -0.010 0.000 1.171 68 R HN 0.746 nan 8.270 nan 0.000 0.458 69 I N 5.247 125.854 120.570 0.062 0.000 2.355 69 I HA 0.251 4.421 4.170 -0.000 0.000 0.288 69 I C -0.162 176.101 176.117 0.244 0.000 0.999 69 I CA -0.558 60.804 61.300 0.103 0.000 1.163 69 I CB 1.680 39.731 38.000 0.086 0.000 1.316 69 I HN 0.594 nan 8.210 nan 0.000 0.454 70 E N 4.852 125.193 120.200 0.236 0.000 2.277 70 E HA 0.403 4.753 4.350 -0.000 0.000 0.266 70 E C -0.496 176.223 176.600 0.199 0.000 0.901 70 E CA -0.754 55.802 56.400 0.261 0.000 0.782 70 E CB 2.608 32.419 29.700 0.184 0.000 1.228 70 E HN 0.588 nan 8.360 nan 0.000 0.424 71 H N 1.445 120.494 119.070 -0.035 0.000 2.587 71 H HA 0.198 4.754 4.556 -0.000 0.000 0.312 71 H C -0.379 174.854 175.328 -0.159 0.000 1.314 71 H CA -0.111 55.692 56.048 -0.408 0.000 1.962 71 H CB 0.340 29.582 29.762 -0.866 0.000 1.536 71 H HN 0.372 nan 8.280 nan 0.000 0.619 72 F N 1.844 121.591 119.950 -0.338 0.000 2.404 72 F HA 0.243 4.770 4.527 -0.000 0.000 0.345 72 F C 1.204 176.962 175.800 -0.071 0.000 1.110 72 F CA -0.406 57.425 58.000 -0.282 0.000 1.130 72 F CB 1.613 40.468 39.000 -0.242 0.000 1.129 72 F HN 0.388 nan 8.300 nan 0.000 0.500 73 Q N 1.555 121.423 119.800 0.115 0.000 2.356 73 Q HA 0.131 4.471 4.340 -0.000 0.000 0.205 73 Q C 1.834 177.853 176.000 0.032 0.000 0.901 73 Q CA 0.326 56.162 55.803 0.055 0.000 0.938 73 Q CB 0.450 29.191 28.738 0.004 0.000 1.081 73 Q HN 0.996 nan 8.270 nan 0.000 0.517 74 G N 0.611 109.417 108.800 0.009 0.000 2.920 74 G HA2 0.230 4.190 3.960 -0.000 0.000 0.208 74 G HA3 0.230 4.190 3.960 -0.000 0.000 0.208 74 G C 0.437 175.350 174.900 0.021 0.000 1.159 74 G CA 0.256 45.341 45.100 -0.025 0.000 0.784 74 G HN 0.304 nan 8.290 nan 0.000 0.535 75 A N 0.102 122.975 122.820 0.088 0.000 2.366 75 A HA 0.517 4.837 4.320 -0.000 0.000 0.249 75 A C 1.497 179.137 177.584 0.094 0.000 1.084 75 A CA -0.534 51.571 52.037 0.112 0.000 0.794 75 A CB 0.507 19.616 19.000 0.181 0.000 1.034 75 A HN 0.058 nan 8.150 nan 0.000 0.491 76 L N 1.042 122.318 121.223 0.089 0.000 2.013 76 L HA -0.181 4.158 4.340 -0.000 0.000 0.212 76 L C 1.064 177.997 176.870 0.105 0.000 1.073 76 L CA 2.025 56.913 54.840 0.080 0.000 0.753 76 L CB -1.920 40.183 42.059 0.073 0.000 0.890 76 L HN 0.936 nan 8.230 nan 0.000 0.432 77 N N 0.632 119.420 118.700 0.148 0.000 2.688 77 N HA -0.191 4.549 4.740 -0.000 0.000 0.258 77 N C -0.170 175.451 175.510 0.184 0.000 1.016 77 N CA -0.023 53.151 53.050 0.206 0.000 0.747 77 N CB -0.818 37.798 38.487 0.215 0.000 0.895 77 N HN 0.430 nan 8.380 nan 0.000 0.543 78 N N 0.138 118.908 118.700 0.117 0.000 2.408 78 N HA 0.310 5.050 4.740 -0.000 0.000 0.260 78 N C 1.059 176.520 175.510 -0.082 0.000 1.242 78 N CA 0.226 53.313 53.050 0.061 0.000 0.959 78 N CB 0.616 39.130 38.487 0.044 0.000 1.201 78 N HN 0.336 nan 8.380 nan 0.000 0.511 79 G N 0.027 108.715 108.800 -0.186 0.000 2.525 79 G HA2 0.328 4.288 3.960 -0.000 0.000 0.287 79 G HA3 0.328 4.288 3.960 -0.000 0.000 0.287 79 G C -2.375 172.328 174.900 -0.327 0.000 1.350 79 G CA -0.675 44.087 45.100 -0.564 0.000 1.039 79 G HN 0.347 nan 8.290 nan 0.000 0.513 80 P HA 0.226 nan 4.420 nan 0.000 0.274 80 P C -1.144 175.712 177.300 -0.740 0.000 1.246 80 P CA 0.049 62.870 63.100 -0.465 0.000 0.795 80 P CB 0.957 32.461 31.700 -0.328 0.000 1.006 81 H N -1.767 117.087 119.070 -0.359 0.000 2.747 81 H HA 0.354 4.910 4.556 -0.000 0.000 0.371 81 H C -0.357 174.736 175.328 -0.391 0.000 1.161 81 H CA -0.622 55.223 56.048 -0.338 0.000 1.167 81 H CB 0.695 30.359 29.762 -0.162 0.000 1.732 81 H HN 0.331 nan 8.280 nan 0.000 0.544 82 Y N 2.089 122.279 120.300 -0.184 0.000 2.788 82 Y HA -0.007 4.543 4.550 -0.000 0.000 0.341 82 Y C -1.437 174.296 175.900 -0.278 0.000 1.258 82 Y CA -1.680 56.258 58.100 -0.269 0.000 1.503 82 Y CB 0.467 38.810 38.460 -0.195 0.000 1.325 82 Y HN 0.452 nan 8.280 nan 0.000 0.614 83 P HA 0.102 nan 4.420 nan 0.000 0.237 83 P C -0.895 176.254 177.300 -0.252 0.000 1.788 83 P CA 0.309 63.287 63.100 -0.204 0.000 1.061 83 P CB -0.371 31.154 31.700 -0.292 0.000 1.967 84 L N 2.165 123.243 121.223 -0.242 0.000 2.395 84 L HA 0.282 4.622 4.340 -0.000 0.000 0.269 84 L C 0.947 177.718 176.870 -0.166 0.000 1.133 84 L CA -0.444 54.169 54.840 -0.378 0.000 0.812 84 L CB 0.322 42.133 42.059 -0.413 0.000 1.125 84 L HN 0.119 nan 8.230 nan 0.000 0.452 85 N N 4.097 122.727 118.700 -0.116 0.000 2.462 85 N HA 0.371 5.111 4.740 -0.000 0.000 0.242 85 N C -0.649 174.948 175.510 0.144 0.000 1.010 85 N CA -0.032 53.027 53.050 0.016 0.000 0.939 85 N CB 1.290 39.778 38.487 0.002 0.000 1.127 85 N HN 0.437 nan 8.380 nan 0.000 0.509 86 I N 3.656 124.292 120.570 0.110 0.000 2.330 86 I HA 0.179 4.349 4.170 -0.000 0.000 0.286 86 I C -0.219 175.950 176.117 0.086 0.000 1.025 86 I CA -0.740 60.644 61.300 0.140 0.000 1.197 86 I CB 0.971 39.065 38.000 0.156 0.000 1.358 86 I HN 0.088 nan 8.210 nan 0.000 0.467 87 L N 6.955 128.218 121.223 0.067 0.000 2.367 87 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 87 L C 1.055 177.964 176.870 0.065 0.000 1.129 87 L CA -0.017 54.851 54.840 0.046 0.000 0.839 87 L CB 0.962 43.034 42.059 0.022 0.000 1.133 87 L HN 0.636 nan 8.230 nan 0.000 0.453 88 Q N 1.360 121.193 119.800 0.054 0.000 2.354 88 Q HA -0.025 4.315 4.340 -0.000 0.000 0.203 88 Q C 0.414 176.449 176.000 0.058 0.000 0.933 88 Q CA 0.589 56.428 55.803 0.060 0.000 0.901 88 Q CB -0.248 28.515 28.738 0.042 0.000 1.007 88 Q HN 0.672 nan 8.270 nan 0.000 0.495 89 D N 0.624 121.051 120.400 0.044 0.000 2.895 89 D HA 0.129 4.769 4.640 -0.000 0.000 0.258 89 D C -0.550 175.770 176.300 0.033 0.000 1.311 89 D CA -0.509 53.513 54.000 0.037 0.000 0.843 89 D CB -0.011 40.803 40.800 0.023 0.000 1.055 89 D HN -0.083 nan 8.370 nan 0.000 0.486 90 V N 0.820 120.763 119.914 0.048 0.000 2.614 90 V HA 0.052 4.172 4.120 -0.000 0.000 0.291 90 V C 0.683 176.790 176.094 0.023 0.000 1.049 90 V CA -0.634 61.686 62.300 0.034 0.000 1.038 90 V CB 1.112 32.965 31.823 0.050 0.000 0.980 90 V HN 0.128 nan 8.190 nan 0.000 0.481 91 K N 5.409 125.805 120.400 -0.007 0.000 2.338 91 K HA 0.404 4.724 4.320 -0.000 0.000 0.290 91 K C -0.718 175.838 176.600 -0.073 0.000 1.069 91 K CA -0.035 56.233 56.287 -0.030 0.000 0.941 91 K CB 0.263 32.742 32.500 -0.035 0.000 1.023 91 K HN 0.613 nan 8.250 nan 0.000 0.477 92 V N 0.754 120.607 119.914 -0.103 0.000 3.040 92 V HA 0.802 4.922 4.120 -0.000 0.000 0.312 92 V C -0.731 175.213 176.094 -0.249 0.000 1.115 92 V CA -0.536 61.611 62.300 -0.255 0.000 0.998 92 V CB 1.845 33.461 31.823 -0.346 0.000 1.042 92 V HN 0.791 nan 8.190 nan 0.000 0.433 93 T N 0.616 114.962 114.554 -0.347 0.000 2.848 93 T HA 0.769 5.119 4.350 -0.000 0.000 0.285 93 T C -0.690 173.862 174.700 -0.247 0.000 0.995 93 T CA -0.411 61.555 62.100 -0.224 0.000 0.970 93 T CB 1.273 70.047 68.868 -0.156 0.000 0.976 93 T HN 0.753 nan 8.240 nan 0.000 0.441 94 I N 2.505 123.006 120.570 -0.115 0.000 2.339 94 I HA 0.396 4.566 4.170 -0.000 0.000 0.290 94 I C 0.209 176.307 176.117 -0.031 0.000 0.994 94 I CA -0.612 60.666 61.300 -0.037 0.000 1.191 94 I CB 1.647 39.690 38.000 0.072 0.000 1.343 94 I HN 0.745 nan 8.210 nan 0.000 0.458 95 E N 5.858 126.035 120.200 -0.038 0.000 2.149 95 E HA 0.206 4.555 4.350 -0.000 0.000 0.255 95 E C -0.887 175.705 176.600 -0.014 0.000 0.888 95 E CA -0.551 55.832 56.400 -0.028 0.000 0.742 95 E CB 0.920 30.597 29.700 -0.038 0.000 1.164 95 E HN 0.489 nan 8.360 nan 0.000 0.422 96 N N 3.690 122.388 118.700 -0.004 0.000 2.817 96 N HA 0.090 4.830 4.740 -0.000 0.000 0.234 96 N C -0.380 175.127 175.510 -0.006 0.000 1.066 96 N CA -0.220 52.830 53.050 0.000 0.000 0.926 96 N CB 0.823 39.316 38.487 0.010 0.000 1.176 96 N HN 0.482 nan 8.380 nan 0.000 0.506 97 T N -0.564 113.986 114.554 -0.007 0.000 2.914 97 T HA 0.244 4.594 4.350 -0.000 0.000 0.313 97 T C 0.746 175.423 174.700 -0.038 0.000 1.137 97 T CA -0.128 61.957 62.100 -0.026 0.000 0.946 97 T CB 0.512 69.356 68.868 -0.040 0.000 1.558 97 T HN 0.369 nan 8.240 nan 0.000 0.565 98 E N -1.229 118.933 120.200 -0.064 0.000 2.476 98 E HA 0.238 4.588 4.350 -0.000 0.000 0.196 98 E C 1.785 178.322 176.600 -0.105 0.000 1.029 98 E CA -0.218 56.142 56.400 -0.067 0.000 0.896 98 E CB 0.181 29.845 29.700 -0.059 0.000 1.012 98 E HN 0.562 nan 8.360 nan 0.000 0.475 99 R N -1.474 118.920 120.500 -0.176 0.000 2.310 99 R HA 0.233 4.573 4.340 -0.000 0.000 0.199 99 R C -0.134 175.988 176.300 -0.298 0.000 0.891 99 R CA 0.300 56.195 56.100 -0.342 0.000 1.060 99 R CB 0.814 30.741 30.300 -0.622 0.000 1.188 99 R HN -0.004 nan 8.270 nan 0.000 0.607 100 Y N -0.501 119.755 120.300 -0.074 0.000 2.588 100 Y HA 0.694 5.244 4.550 -0.000 0.000 0.343 100 Y C -0.935 174.896 175.900 -0.115 0.000 1.065 100 Y CA -1.792 56.240 58.100 -0.113 0.000 1.038 100 Y CB 2.330 40.718 38.460 -0.119 0.000 1.297 100 Y HN -0.093 nan 8.280 nan 0.000 0.467 101 A N 2.008 124.837 122.820 0.016 0.000 2.319 101 A HA 0.615 4.935 4.320 -0.000 0.000 0.310 101 A C -1.270 176.219 177.584 -0.159 0.000 1.152 101 A CA -0.536 51.464 52.037 -0.061 0.000 0.783 101 A CB 1.294 20.247 19.000 -0.078 0.000 1.184 101 A HN 0.765 nan 8.150 nan 0.000 0.474 102 E N 2.078 122.203 120.200 -0.125 0.000 2.246 102 E HA 0.547 4.897 4.350 -0.000 0.000 0.266 102 E C -1.939 174.596 176.600 -0.107 0.000 0.880 102 E CA -0.475 55.819 56.400 -0.176 0.000 0.762 102 E CB 1.427 31.035 29.700 -0.153 0.000 1.180 102 E HN 0.563 nan 8.360 nan 0.000 0.416 103 F N 4.073 123.849 119.950 -0.290 0.000 2.458 103 F HA 0.526 5.053 4.527 -0.000 0.000 0.336 103 F C -0.858 174.869 175.800 -0.123 0.000 1.114 103 F CA -0.483 57.412 58.000 -0.175 0.000 0.987 103 F CB 1.078 39.975 39.000 -0.172 0.000 1.130 103 F HN 0.291 nan 8.300 nan 0.000 0.458 104 K N 3.718 123.669 120.400 -0.749 0.000 2.464 104 K HA 0.594 4.914 4.320 -0.000 0.000 0.253 104 K C -1.725 174.564 176.600 -0.518 0.000 0.933 104 K CA -0.727 55.294 56.287 -0.444 0.000 0.801 104 K CB 1.925 34.270 32.500 -0.259 0.000 1.271 104 K HN 0.591 nan 8.250 nan 0.000 0.430 105 S N 2.707 118.273 115.700 -0.223 0.000 2.776 105 S HA 0.613 5.083 4.470 -0.000 0.000 0.284 105 S C 0.105 174.667 174.600 -0.063 0.000 1.160 105 S CA 0.501 58.624 58.200 -0.127 0.000 1.051 105 S CB 0.691 63.893 63.200 0.003 0.000 1.037 105 S HN 1.119 nan 8.310 nan 0.000 0.485 106 G N 5.345 114.105 108.800 -0.068 0.000 2.556 106 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.283 106 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.283 106 G C 0.471 175.345 174.900 -0.043 0.000 1.177 106 G CA 0.612 45.685 45.100 -0.045 0.000 0.978 106 G HN 0.754 nan 8.290 nan 0.000 0.554 107 N N -0.199 118.486 118.700 -0.024 0.000 2.280 107 N HA 0.340 5.080 4.740 -0.000 0.000 0.192 107 N C 0.398 175.902 175.510 -0.010 0.000 1.109 107 N CA -0.187 52.851 53.050 -0.020 0.000 0.855 107 N CB 0.379 38.861 38.487 -0.009 0.000 0.974 107 N HN 0.398 nan 8.380 nan 0.000 0.482 108 L N 1.093 122.318 121.223 0.003 0.000 2.307 108 L HA 0.451 4.791 4.340 -0.000 0.000 0.282 108 L C -0.259 176.632 176.870 0.035 0.000 1.051 108 L CA -0.325 54.537 54.840 0.037 0.000 0.804 108 L CB 1.215 43.318 42.059 0.073 0.000 1.197 108 L HN -0.053 nan 8.230 nan 0.000 0.431 109 S N 3.287 119.016 115.700 0.047 0.000 2.588 109 S HA 0.954 5.424 4.470 -0.000 0.000 0.275 109 S C -0.973 173.623 174.600 -0.006 0.000 1.130 109 S CA -0.442 57.764 58.200 0.011 0.000 0.855 109 S CB 1.539 64.687 63.200 -0.087 0.000 1.116 109 S HN 1.015 nan 8.310 nan 0.000 0.472 110 A N 1.468 124.228 122.820 -0.100 0.000 2.318 110 A HA 0.832 5.152 4.320 -0.000 0.000 0.317 110 A C -0.267 176.995 177.584 -0.537 0.000 1.159 110 A CA -0.778 50.996 52.037 -0.437 0.000 0.799 110 A CB 1.004 19.789 19.000 -0.359 0.000 1.194 110 A HN 0.857 nan 8.150 nan 0.000 0.479 111 R N 2.440 122.587 120.500 -0.588 0.000 2.534 111 R HA 0.631 4.970 4.340 -0.000 0.000 0.301 111 R C -1.770 174.192 176.300 -0.563 0.000 0.961 111 R CA -0.359 55.424 56.100 -0.529 0.000 0.871 111 R CB 1.720 31.718 30.300 -0.504 0.000 1.170 111 R HN 0.492 nan 8.270 nan 0.000 0.446 112 V N 2.925 122.537 119.914 -0.504 0.000 2.459 112 V HA 0.330 4.450 4.120 -0.000 0.000 0.295 112 V C -0.096 175.785 176.094 -0.355 0.000 1.029 112 V CA -0.714 61.264 62.300 -0.537 0.000 0.874 112 V CB 1.834 33.355 31.823 -0.504 0.000 0.985 112 V HN 0.790 nan 8.190 nan 0.000 0.438 113 S N 4.379 119.849 115.700 -0.382 0.000 2.537 113 S HA 0.421 4.891 4.470 -0.000 0.000 0.275 113 S C -0.006 174.567 174.600 -0.046 0.000 1.272 113 S CA -0.666 57.513 58.200 -0.035 0.000 1.050 113 S CB 0.704 63.913 63.200 0.014 0.000 0.961 113 S HN 0.631 nan 8.310 nan 0.000 0.496 114 K N 1.260 121.693 120.400 0.056 0.000 2.109 114 K HA 0.690 5.010 4.320 -0.000 0.000 0.243 114 K C 0.859 177.493 176.600 0.057 0.000 1.006 114 K CA -0.242 56.077 56.287 0.053 0.000 0.917 114 K CB 0.883 33.396 32.500 0.022 0.000 1.081 114 K HN 0.850 nan 8.250 nan 0.000 0.468 115 G N 0.842 109.677 108.800 0.059 0.000 2.568 115 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.222 115 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.222 115 G C 0.654 175.539 174.900 -0.026 0.000 1.321 115 G CA 0.359 45.463 45.100 0.006 0.000 0.893 115 G HN 0.761 nan 8.290 nan 0.000 0.569 116 E N -0.624 119.450 120.200 -0.209 0.000 2.153 116 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 116 E C 0.520 176.852 176.600 -0.447 0.000 0.988 116 E CA 0.871 57.015 56.400 -0.428 0.000 0.811 116 E CB -0.086 29.142 29.700 -0.785 0.000 0.746 116 E HN 0.365 nan 8.360 nan 0.000 0.466 117 F N 1.172 121.194 119.950 0.121 0.000 2.311 117 F HA 0.203 4.730 4.527 -0.000 0.000 0.371 117 F C 0.094 175.994 175.800 0.166 0.000 1.083 117 F CA -1.307 56.773 58.000 0.132 0.000 1.113 117 F CB 0.453 39.505 39.000 0.087 0.000 1.349 117 F HN 0.071 nan 8.300 nan 0.000 0.470 118 W N 3.805 125.210 121.300 0.175 0.000 2.181 118 W HA 0.419 5.079 4.660 -0.000 0.000 0.335 118 W C -0.669 175.906 176.519 0.094 0.000 1.310 118 W CA 0.221 57.633 57.345 0.112 0.000 1.226 118 W CB 1.416 30.920 29.460 0.074 0.000 1.155 118 W HN 0.452 nan 8.180 nan 0.000 0.565 119 S N 6.205 121.493 115.700 -0.688 0.000 2.542 119 S HA 0.470 4.940 4.470 -0.000 0.000 0.276 119 S C -1.924 172.259 174.600 -0.695 0.000 1.148 119 S CA -0.832 57.100 58.200 -0.446 0.000 0.886 119 S CB 0.917 64.005 63.200 -0.186 0.000 1.109 119 S HN 0.552 nan 8.310 nan 0.000 0.458 120 L N 4.175 125.173 121.223 -0.374 0.000 2.377 120 L HA 0.609 4.949 4.340 -0.000 0.000 0.270 120 L C -1.514 175.174 176.870 -0.303 0.000 0.991 120 L CA -0.371 54.263 54.840 -0.344 0.000 0.851 120 L CB 0.943 42.969 42.059 -0.054 0.000 1.218 120 L HN 0.684 nan 8.230 nan 0.000 0.420 121 D N 4.308 124.440 120.400 -0.446 0.000 2.342 121 D HA 0.408 5.048 4.640 -0.000 0.000 0.243 121 D C -1.102 174.867 176.300 -0.552 0.000 1.019 121 D CA -0.069 53.717 54.000 -0.357 0.000 0.864 121 D CB 2.374 43.006 40.800 -0.280 0.000 1.315 121 D HN 0.172 nan 8.370 nan 0.000 0.468 122 F N 1.313 121.200 119.950 -0.104 0.000 2.426 122 F HA 0.328 4.855 4.527 -0.000 0.000 0.348 122 F C -0.099 175.625 175.800 -0.125 0.000 1.124 122 F CA -0.829 57.111 58.000 -0.100 0.000 1.008 122 F CB 1.210 40.154 39.000 -0.093 0.000 1.139 122 F HN -0.071 nan 8.300 nan 0.000 0.452 123 L N 3.145 124.375 121.223 0.011 0.000 2.333 123 L HA 0.575 4.915 4.340 -0.000 0.000 0.269 123 L C -0.263 176.606 176.870 -0.002 0.000 1.010 123 L CA -0.910 53.914 54.840 -0.026 0.000 0.818 123 L CB 1.904 43.913 42.059 -0.083 0.000 1.306 123 L HN 0.617 nan 8.230 nan 0.000 0.430 124 R N 2.674 123.170 120.500 -0.007 0.000 2.320 124 R HA 0.289 4.629 4.340 -0.000 0.000 0.319 124 R C -0.471 175.823 176.300 -0.010 0.000 0.969 124 R CA -0.301 55.800 56.100 0.002 0.000 0.857 124 R CB 0.305 30.615 30.300 0.017 0.000 1.160 124 R HN 0.700 nan 8.270 nan 0.000 0.491 125 N N 3.289 121.978 118.700 -0.019 0.000 2.725 125 N HA -0.216 4.524 4.740 -0.000 0.000 0.251 125 N C 0.600 176.092 175.510 -0.030 0.000 1.031 125 N CA 1.579 54.614 53.050 -0.024 0.000 0.720 125 N CB -0.997 37.481 38.487 -0.016 0.000 0.930 125 N HN 1.102 nan 8.380 nan 0.000 0.543 126 G N -1.453 107.321 108.800 -0.043 0.000 2.225 126 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.254 126 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.254 126 G C -0.197 174.673 174.900 -0.050 0.000 0.988 126 G CA 0.550 45.618 45.100 -0.052 0.000 0.625 126 G HN 0.430 nan 8.290 nan 0.000 0.527 127 E N 0.574 120.753 120.200 -0.035 0.000 2.216 127 E HA 0.433 4.783 4.350 -0.000 0.000 0.279 127 E C 0.419 177.000 176.600 -0.031 0.000 0.997 127 E CA -0.784 55.599 56.400 -0.028 0.000 0.817 127 E CB 1.292 30.986 29.700 -0.010 0.000 1.096 127 E HN 0.412 nan 8.360 nan 0.000 0.393 128 R N 2.841 123.320 120.500 -0.036 0.000 2.401 128 R HA 0.133 4.473 4.340 -0.000 0.000 0.299 128 R C 1.266 177.554 176.300 -0.020 0.000 1.064 128 R CA 0.111 56.190 56.100 -0.035 0.000 1.000 128 R CB 0.194 30.468 30.300 -0.042 0.000 0.973 128 R HN 0.591 nan 8.270 nan 0.000 0.438 129 I N -0.890 119.652 120.570 -0.046 0.000 3.790 129 I HA 0.285 4.455 4.170 -0.000 0.000 0.305 129 I C 0.641 176.658 176.117 -0.166 0.000 1.253 129 I CA -0.172 61.075 61.300 -0.089 0.000 1.355 129 I CB 0.845 38.748 38.000 -0.162 0.000 1.137 129 I HN 0.476 nan 8.210 nan 0.000 0.435 130 T N -0.776 113.700 114.554 -0.130 0.000 2.661 130 T HA 0.671 5.021 4.350 -0.000 0.000 0.303 130 T C -1.169 173.614 174.700 0.137 0.000 1.658 130 T CA 0.090 62.164 62.100 -0.043 0.000 0.974 130 T CB 1.285 70.024 68.868 -0.214 0.000 1.857 130 T HN 0.649 nan 8.240 nan 0.000 0.475 131 G N 0.449 109.379 108.800 0.216 0.000 2.320 131 G HA2 0.467 4.427 3.960 -0.000 0.000 0.297 131 G HA3 0.467 4.427 3.960 -0.000 0.000 0.297 131 G C -1.454 173.569 174.900 0.204 0.000 1.344 131 G CA 0.346 45.614 45.100 0.281 0.000 0.851 131 G HN 1.008 nan 8.290 nan 0.000 0.567 132 S N -0.584 115.224 115.700 0.181 0.000 2.552 132 S HA 0.604 5.074 4.470 -0.000 0.000 0.314 132 S C -0.091 174.584 174.600 0.125 0.000 1.099 132 S CA -0.380 57.905 58.200 0.141 0.000 1.070 132 S CB 1.167 64.476 63.200 0.181 0.000 0.998 132 S HN 0.584 nan 8.310 nan 0.000 0.474 133 Q N 1.925 121.781 119.800 0.093 0.000 2.312 133 Q HA 0.348 4.688 4.340 -0.000 0.000 0.236 133 Q C -0.050 176.039 176.000 0.148 0.000 0.965 133 Q CA -0.592 55.274 55.803 0.104 0.000 0.894 133 Q CB 1.363 30.131 28.738 0.051 0.000 1.225 133 Q HN 0.636 nan 8.270 nan 0.000 0.478 134 V N 3.285 123.332 119.914 0.221 0.000 2.644 134 V HA -0.147 3.973 4.120 -0.000 0.000 0.305 134 V C 0.100 176.154 176.094 -0.067 0.000 1.053 134 V CA 1.097 63.501 62.300 0.173 0.000 1.186 134 V CB -0.517 31.433 31.823 0.213 0.000 0.895 134 V HN 0.846 nan 8.190 nan 0.000 0.490 135 K N 3.476 123.726 120.400 -0.250 0.000 3.423 135 K HA -0.152 4.168 4.320 -0.000 0.000 0.306 135 K C 0.450 176.913 176.600 -0.228 0.000 1.331 135 K CA 1.105 57.035 56.287 -0.596 0.000 0.905 135 K CB -1.680 30.434 32.500 -0.643 0.000 1.332 135 K HN 0.863 nan 8.250 nan 0.000 0.473 136 N N 1.267 119.915 118.700 -0.087 0.000 2.238 136 N HA 0.016 4.756 4.740 -0.000 0.000 0.222 136 N C -0.425 174.947 175.510 -0.229 0.000 1.133 136 N CA 0.192 53.253 53.050 0.018 0.000 0.854 136 N CB 0.352 38.847 38.487 0.013 0.000 1.041 136 N HN 0.471 nan 8.380 nan 0.000 0.510 137 N N -0.839 117.539 118.700 -0.536 0.000 2.591 137 N HA 0.632 5.372 4.740 -0.000 0.000 0.263 137 N C -0.113 174.784 175.510 -1.022 0.000 1.308 137 N CA -0.508 51.875 53.050 -1.112 0.000 0.837 137 N CB 1.552 39.720 38.487 -0.531 0.000 1.548 137 N HN -0.016 nan 8.380 nan 0.000 0.493 138 G N -1.210 106.949 108.800 -1.068 0.000 2.356 138 G HA2 0.224 4.184 3.960 -0.000 0.000 0.266 138 G HA3 0.224 4.184 3.960 -0.000 0.000 0.266 138 G C -2.445 172.498 174.900 0.072 0.000 1.312 138 G CA -0.818 43.994 45.100 -0.480 0.000 0.922 138 G HN 0.685 nan 8.290 nan 0.000 0.480 139 Y N 0.118 120.499 120.300 0.134 0.000 2.377 139 Y HA 0.676 5.226 4.550 -0.000 0.000 0.339 139 Y C -0.326 175.606 175.900 0.054 0.000 1.011 139 Y CA -0.940 57.210 58.100 0.083 0.000 1.093 139 Y CB 2.208 40.587 38.460 -0.134 0.000 1.201 139 Y HN 0.443 nan 8.280 nan 0.000 0.455 140 V N 6.847 126.575 119.914 -0.310 0.000 2.326 140 V HA 0.251 4.371 4.120 -0.000 0.000 0.281 140 V C -0.580 175.230 176.094 -0.473 0.000 1.015 140 V CA -0.816 61.318 62.300 -0.277 0.000 0.823 140 V CB 1.267 33.010 31.823 -0.134 0.000 1.009 140 V HN 0.754 nan 8.190 nan 0.000 0.436 141 Q N 3.546 123.111 119.800 -0.391 0.000 2.406 141 Q HA 0.198 4.538 4.340 -0.000 0.000 0.242 141 Q C -0.621 175.305 176.000 -0.123 0.000 1.036 141 Q CA -0.440 55.192 55.803 -0.285 0.000 0.904 141 Q CB 0.777 29.434 28.738 -0.135 0.000 1.244 141 Q HN 0.743 nan 8.270 nan 0.000 0.478 142 D N 3.354 123.720 120.400 -0.058 0.000 2.441 142 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 142 D C 0.966 177.262 176.300 -0.008 0.000 1.156 142 D CA -0.096 53.898 54.000 -0.009 0.000 0.896 142 D CB 1.214 42.072 40.800 0.098 0.000 1.028 142 D HN 0.699 nan 8.370 nan 0.000 0.509 143 T N 1.019 115.561 114.554 -0.020 0.000 3.072 143 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 143 T C 1.310 176.006 174.700 -0.006 0.000 1.127 143 T CA 0.434 62.528 62.100 -0.010 0.000 1.107 143 T CB 0.090 68.952 68.868 -0.010 0.000 0.910 143 T HN 0.186 nan 8.240 nan 0.000 0.513 144 N N 3.312 122.006 118.700 -0.011 0.000 2.080 144 N HA -0.077 4.663 4.740 -0.000 0.000 0.189 144 N C 1.499 177.008 175.510 -0.001 0.000 1.036 144 N CA 1.748 54.792 53.050 -0.011 0.000 0.846 144 N CB -0.406 38.067 38.487 -0.023 0.000 1.015 144 N HN 0.756 nan 8.380 nan 0.000 0.423 145 N N 0.382 119.088 118.700 0.010 0.000 2.205 145 N HA 0.009 4.749 4.740 -0.000 0.000 0.201 145 N C -0.463 175.055 175.510 0.013 0.000 1.128 145 N CA 0.081 53.141 53.050 0.016 0.000 0.867 145 N CB 0.148 38.654 38.487 0.032 0.000 0.996 145 N HN -0.137 nan 8.380 nan 0.000 0.503 146 Q N -0.436 119.370 119.800 0.010 0.000 2.487 146 Q HA -0.201 4.139 4.340 -0.000 0.000 0.279 146 Q C -0.934 175.056 176.000 -0.017 0.000 1.228 146 Q CA 0.854 56.658 55.803 0.003 0.000 0.873 146 Q CB -1.985 26.757 28.738 0.007 0.000 1.260 146 Q HN 0.686 nan 8.270 nan 0.000 0.471 147 R N 0.323 120.807 120.500 -0.027 0.000 2.854 147 R HA 0.620 4.960 4.340 -0.000 0.000 0.271 147 R C -0.019 176.144 176.300 -0.229 0.000 0.996 147 R CA -0.940 55.073 56.100 -0.144 0.000 0.961 147 R CB 1.182 31.372 30.300 -0.183 0.000 1.182 147 R HN -0.017 nan 8.270 nan 0.000 0.479 148 N N 1.228 119.672 118.700 -0.426 0.000 2.284 148 N HA 0.375 5.115 4.740 -0.000 0.000 0.300 148 N C -1.247 173.871 175.510 -0.653 0.000 1.047 148 N CA -0.336 52.431 53.050 -0.470 0.000 0.821 148 N CB 1.693 39.997 38.487 -0.305 0.000 1.337 148 N HN 0.397 nan 8.380 nan 0.000 0.482 152 E N 1.201 121.060 120.200 -0.568 0.000 2.390 152 E HA 0.675 5.025 4.350 -0.000 0.000 0.277 152 E C -1.893 174.296 176.600 -0.685 0.000 0.939 152 E CA -0.740 55.211 56.400 -0.749 0.000 0.769 152 E CB 2.195 31.390 29.700 -0.842 0.000 1.251 152 E HN 0.750 nan 8.360 nan 0.000 0.450 153 R N 3.128 123.398 120.500 -0.382 0.000 2.473 153 R HA 0.442 4.782 4.340 -0.000 0.000 0.303 153 R C -0.787 175.450 176.300 -0.104 0.000 1.002 153 R CA -0.590 55.387 56.100 -0.205 0.000 0.884 153 R CB 1.026 31.302 30.300 -0.040 0.000 1.173 153 R HN 0.429 nan 8.270 nan 0.000 0.464 154 L N 3.145 124.345 121.223 -0.038 0.000 2.276 154 L HA 0.268 4.608 4.340 -0.000 0.000 0.286 154 L C 0.064 177.003 176.870 0.114 0.000 1.061 154 L CA -0.797 54.100 54.840 0.096 0.000 0.807 154 L CB 0.951 43.138 42.059 0.213 0.000 1.177 154 L HN 0.412 nan 8.230 nan 0.000 0.429 155 D N 2.600 123.062 120.400 0.104 0.000 2.443 155 D HA 0.203 4.843 4.640 -0.000 0.000 0.234 155 D C -0.404 175.969 176.300 0.120 0.000 1.172 155 D CA 0.294 54.345 54.000 0.085 0.000 0.878 155 D CB 0.909 41.750 40.800 0.068 0.000 1.204 155 D HN 0.020 nan 8.370 nan 0.000 0.453 156 L N 0.996 122.268 121.223 0.082 0.000 2.385 156 L HA 0.519 4.859 4.340 -0.000 0.000 0.273 156 L C 0.655 177.563 176.870 0.063 0.000 0.990 156 L CA -0.463 54.428 54.840 0.086 0.000 0.821 156 L CB 1.771 43.848 42.059 0.031 0.000 1.279 156 L HN 0.410 nan 8.230 nan 0.000 0.412 157 G N 2.298 111.144 108.800 0.077 0.000 2.535 157 G HA2 0.473 4.433 3.960 -0.000 0.000 0.303 157 G HA3 0.473 4.433 3.960 -0.000 0.000 0.303 157 G C -0.692 174.230 174.900 0.037 0.000 1.237 157 G CA -0.648 44.485 45.100 0.054 0.000 0.986 157 G HN 0.364 nan 8.290 nan 0.000 0.494 158 V N 0.959 120.890 119.914 0.029 0.000 2.509 158 V HA 0.334 4.454 4.120 -0.000 0.000 0.297 158 V C 1.660 177.771 176.094 0.028 0.000 1.014 158 V CA 1.828 64.141 62.300 0.023 0.000 1.127 158 V CB 0.219 32.054 31.823 0.019 0.000 0.925 158 V HN 1.801 nan 8.190 nan 0.000 0.480 159 G N 3.691 112.508 108.800 0.027 0.000 2.168 159 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 159 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 159 G C 0.188 175.098 174.900 0.017 0.000 0.977 159 G CA 0.407 45.527 45.100 0.033 0.000 0.659 159 G HN 0.847 nan 8.290 nan 0.000 0.533 160 E N 1.605 121.814 120.200 0.015 0.000 2.223 160 E HA 0.485 4.835 4.350 -0.000 0.000 0.282 160 E C 0.817 177.386 176.600 -0.051 0.000 1.046 160 E CA 0.239 56.643 56.400 0.006 0.000 0.857 160 E CB 0.315 30.042 29.700 0.045 0.000 1.055 160 E HN 0.395 nan 8.360 nan 0.000 0.409 161 T N 0.552 115.050 114.554 -0.094 0.000 2.895 161 T HA 0.531 4.881 4.350 -0.000 0.000 0.283 161 T C -0.132 174.382 174.700 -0.310 0.000 1.014 161 T CA -0.922 61.021 62.100 -0.262 0.000 1.037 161 T CB 1.533 70.133 68.868 -0.447 0.000 1.006 161 T HN 0.146 nan 8.240 nan 0.000 0.468 162 V N 2.587 122.206 119.914 -0.491 0.000 2.547 162 V HA 0.594 4.714 4.120 -0.000 0.000 0.299 162 V C -1.114 174.591 176.094 -0.649 0.000 1.040 162 V CA -0.826 61.227 62.300 -0.411 0.000 0.913 162 V CB 0.822 32.406 31.823 -0.398 0.000 0.992 162 V HN 0.955 nan 8.190 nan 0.000 0.449 163 Y N 1.143 121.325 120.300 -0.198 0.000 2.609 163 Y HA 0.840 5.390 4.550 -0.000 0.000 0.342 163 Y C 0.754 176.534 175.900 -0.200 0.000 1.058 163 Y CA 0.221 58.207 58.100 -0.191 0.000 1.055 163 Y CB 2.303 40.660 38.460 -0.173 0.000 1.292 163 Y HN 0.997 nan 8.280 nan 0.000 0.476 164 G N 0.248 109.031 108.800 -0.028 0.000 2.464 164 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.216 164 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.216 164 G C -0.740 174.066 174.900 -0.157 0.000 1.186 164 G CA -0.409 44.638 45.100 -0.088 0.000 1.010 164 G HN 1.189 nan 8.290 nan 0.000 0.585 165 L N 0.077 121.204 121.223 -0.160 0.000 4.140 165 L HA 0.146 4.486 4.340 -0.000 0.000 0.406 165 L C 1.727 178.519 176.870 -0.129 0.000 1.175 165 L CA 2.853 57.570 54.840 -0.205 0.000 0.939 165 L CB -1.831 40.022 42.059 -0.343 0.000 2.105 165 L HN 3.004 nan 8.230 nan 0.000 0.803 166 G N -0.696 108.043 108.800 -0.102 0.000 2.610 166 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.304 166 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.304 166 G C -0.200 174.548 174.900 -0.254 0.000 1.309 166 G CA -0.043 44.971 45.100 -0.143 0.000 0.906 166 G HN 0.464 nan 8.290 nan 0.000 0.521 167 E N 1.039 121.051 120.200 -0.313 0.000 1.814 167 E HA 0.341 4.691 4.350 -0.000 0.000 0.264 167 E C 0.636 176.857 176.600 -0.632 0.000 1.179 167 E CA -0.248 55.883 56.400 -0.447 0.000 0.972 167 E CB -0.080 29.425 29.700 -0.325 0.000 1.077 167 E HN 0.448 nan 8.360 nan 0.000 0.417 168 R N 2.987 123.106 120.500 -0.636 0.000 2.668 168 R HA 0.313 4.653 4.340 -0.000 0.000 0.279 168 R C -0.053 175.776 176.300 -0.785 0.000 0.976 168 R CA -0.605 55.127 56.100 -0.612 0.000 0.978 168 R CB 0.809 30.934 30.300 -0.292 0.000 1.133 168 R HN 0.452 nan 8.270 nan 0.000 0.484 169 F N -0.307 119.616 119.950 -0.045 0.000 2.653 169 F HA 0.066 4.593 4.527 -0.000 0.000 0.304 169 F C 1.354 177.134 175.800 -0.033 0.000 1.092 169 F CA -0.487 57.495 58.000 -0.031 0.000 1.279 169 F CB 0.425 39.426 39.000 0.002 0.000 1.044 169 F HN 0.495 nan 8.300 nan 0.000 0.564 170 T N -0.917 113.662 114.554 0.042 0.000 2.753 170 T HA 0.592 4.942 4.350 -0.000 0.000 0.309 170 T C 0.766 175.455 174.700 -0.019 0.000 1.043 170 T CA -0.598 61.511 62.100 0.016 0.000 0.964 170 T CB 0.599 69.459 68.868 -0.015 0.000 1.206 170 T HN 0.148 nan 8.240 nan 0.000 0.528 171 A N 0.287 123.091 122.820 -0.027 0.000 2.587 171 A HA 0.241 4.561 4.320 -0.000 0.000 0.233 171 A C 1.391 178.942 177.584 -0.056 0.000 1.049 171 A CA -0.395 51.623 52.037 -0.032 0.000 0.754 171 A CB -0.594 18.389 19.000 -0.030 0.000 0.977 171 A HN 0.953 nan 8.150 nan 0.000 0.509 172 L N 3.799 124.999 121.223 -0.039 0.000 1.989 172 L HA -0.079 4.261 4.340 -0.000 0.000 0.211 172 L C 1.076 177.865 176.870 -0.135 0.000 1.071 172 L CA 1.870 56.678 54.840 -0.052 0.000 0.749 172 L CB -0.422 41.646 42.059 0.014 0.000 0.890 172 L HN 0.475 nan 8.230 nan 0.000 0.431 173 V N 1.965 121.779 119.914 -0.166 0.000 2.470 173 V HA 0.073 4.193 4.120 -0.000 0.000 0.276 173 V C 1.362 177.299 176.094 -0.262 0.000 1.040 173 V CA -0.327 61.740 62.300 -0.389 0.000 1.008 173 V CB 0.883 32.521 31.823 -0.308 0.000 0.990 173 V HN 0.356 nan 8.190 nan 0.000 0.477 174 R N 2.595 122.896 120.500 -0.332 0.000 2.280 174 R HA 0.019 4.359 4.340 -0.000 0.000 0.207 174 R C 0.351 176.535 176.300 -0.192 0.000 1.043 174 R CA 0.005 55.960 56.100 -0.241 0.000 1.006 174 R CB -0.614 29.518 30.300 -0.280 0.000 0.885 174 R HN 0.652 nan 8.270 nan 0.000 0.467 175 N N 0.851 119.436 118.700 -0.192 0.000 2.301 175 N HA 0.059 4.799 4.740 -0.000 0.000 0.267 175 N C 1.141 176.597 175.510 -0.090 0.000 1.304 175 N CA 1.515 54.486 53.050 -0.131 0.000 0.851 175 N CB 0.210 38.639 38.487 -0.096 0.000 1.070 175 N HN 0.371 nan 8.380 nan 0.000 0.483 176 G N 0.946 109.697 108.800 -0.082 0.000 2.194 176 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.236 176 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.236 176 G C -0.082 174.782 174.900 -0.060 0.000 0.987 176 G CA -0.259 44.802 45.100 -0.064 0.000 0.635 176 G HN 0.576 nan 8.290 nan 0.000 0.520 177 Q N 0.487 120.246 119.800 -0.069 0.000 2.226 177 Q HA 0.628 4.968 4.340 -0.000 0.000 0.256 177 Q C -0.499 175.480 176.000 -0.036 0.000 0.962 177 Q CA -0.252 55.518 55.803 -0.055 0.000 0.887 177 Q CB 1.552 30.249 28.738 -0.069 0.000 1.282 177 Q HN 0.163 nan 8.270 nan 0.000 0.449 178 T N 1.186 115.731 114.554 -0.015 0.000 2.829 178 T HA 0.497 4.847 4.350 -0.000 0.000 0.282 178 T C -0.799 173.922 174.700 0.036 0.000 0.990 178 T CA -0.490 61.620 62.100 0.016 0.000 1.028 178 T CB 0.923 69.794 68.868 0.005 0.000 0.951 178 T HN 0.244 nan 8.240 nan 0.000 0.460 179 V N 3.757 123.729 119.914 0.096 0.000 2.569 179 V HA 0.385 4.505 4.120 -0.000 0.000 0.301 179 V C -0.752 175.479 176.094 0.230 0.000 1.044 179 V CA -0.931 61.435 62.300 0.109 0.000 0.874 179 V CB 2.048 33.875 31.823 0.007 0.000 1.002 179 V HN 0.768 nan 8.190 nan 0.000 0.424 180 E N 2.598 122.913 120.200 0.192 0.000 2.092 180 E HA 0.293 4.643 4.350 -0.000 0.000 0.271 180 E C 0.160 176.946 176.600 0.309 0.000 0.919 180 E CA -0.429 56.112 56.400 0.234 0.000 0.760 180 E CB 1.728 31.515 29.700 0.146 0.000 1.106 180 E HN 0.785 nan 8.360 nan 0.000 0.408 181 T N 1.088 115.876 114.554 0.390 0.000 3.182 181 T HA 0.240 4.590 4.350 -0.000 0.000 0.274 181 T C -0.170 174.843 174.700 0.521 0.000 0.997 181 T CA -0.703 61.637 62.100 0.400 0.000 1.082 181 T CB -0.156 68.975 68.868 0.438 0.000 1.005 181 T HN 0.423 nan 8.240 nan 0.000 0.688 182 W N 4.279 125.716 121.300 0.229 0.000 3.089 182 W HA 0.271 4.931 4.660 -0.000 0.000 0.333 182 W C -1.436 175.276 176.519 0.321 0.000 1.053 182 W CA -0.954 56.561 57.345 0.283 0.000 1.257 182 W CB 1.324 30.884 29.460 0.166 0.000 1.281 182 W HN 0.388 nan 8.180 nan 0.000 0.427 183 N N 5.310 124.100 118.700 0.150 0.000 2.454 183 N HA 0.177 4.917 4.740 -0.000 0.000 0.260 183 N C -0.230 175.394 175.510 0.190 0.000 1.218 183 N CA 0.592 53.712 53.050 0.116 0.000 0.904 183 N CB 0.718 39.191 38.487 -0.024 0.000 1.065 183 N HN 0.377 nan 8.380 nan 0.000 0.462 184 R N 0.254 120.870 120.500 0.194 0.000 2.774 184 R HA 0.228 4.568 4.340 -0.000 0.000 0.272 184 R C -1.241 175.132 176.300 0.121 0.000 1.000 184 R CA -0.797 55.429 56.100 0.209 0.000 0.906 184 R CB 1.516 31.956 30.300 0.232 0.000 1.227 184 R HN 0.367 nan 8.270 nan 0.000 0.468 185 D N 0.795 121.301 120.400 0.176 0.000 2.518 185 D HA 0.230 4.870 4.640 -0.000 0.000 0.230 185 D C 0.170 176.506 176.300 0.060 0.000 1.138 185 D CA -0.026 54.072 54.000 0.163 0.000 0.964 185 D CB 0.726 41.694 40.800 0.281 0.000 1.011 185 D HN 0.759 nan 8.370 nan 0.000 0.517 186 G N 1.189 109.905 108.800 -0.139 0.000 3.377 186 G HA2 0.504 4.463 3.960 -0.000 0.000 0.257 186 G HA3 0.504 4.463 3.960 -0.000 0.000 0.257 186 G C 0.809 175.643 174.900 -0.110 0.000 1.038 186 G CA 0.165 45.224 45.100 -0.068 0.000 0.809 186 G HN 0.792 nan 8.290 nan 0.000 0.526 187 G N 0.030 108.726 108.800 -0.173 0.000 2.615 187 G HA2 0.056 4.016 3.960 -0.000 0.000 0.218 187 G HA3 0.056 4.016 3.960 -0.000 0.000 0.218 187 G C 0.563 175.310 174.900 -0.256 0.000 1.339 187 G CA 0.585 45.642 45.100 -0.072 0.000 0.884 187 G HN 1.156 nan 8.290 nan 0.000 0.559 188 T N -3.389 110.969 114.554 -0.326 0.000 3.252 188 T HA 0.572 4.922 4.350 -0.000 0.000 0.286 188 T C 1.085 175.390 174.700 -0.658 0.000 1.013 188 T CA 1.091 62.616 62.100 -0.958 0.000 0.914 188 T CB 0.009 68.293 68.868 -0.974 0.000 1.131 188 T HN 1.921 nan 8.240 nan 0.000 0.529 189 S N 0.127 115.688 115.700 -0.230 0.000 2.952 189 S HA 0.373 4.843 4.470 -0.000 0.000 0.251 189 S C 0.505 175.112 174.600 0.010 0.000 1.021 189 S CA -0.083 58.078 58.200 -0.065 0.000 1.067 189 S CB 0.081 63.262 63.200 -0.030 0.000 1.002 189 S HN 0.684 nan 8.310 nan 0.000 0.574 190 T N -1.073 113.503 114.554 0.038 0.000 2.724 190 T HA 0.502 4.852 4.350 -0.000 0.000 0.274 190 T C 0.645 175.406 174.700 0.101 0.000 0.984 190 T CA -0.219 61.914 62.100 0.056 0.000 1.024 190 T CB 1.316 70.202 68.868 0.030 0.000 1.320 190 T HN 0.046 nan 8.240 nan 0.000 0.555 191 E N 0.005 120.247 120.200 0.071 0.000 2.481 191 E HA 0.014 4.364 4.350 -0.000 0.000 0.195 191 E C 0.208 176.852 176.600 0.073 0.000 1.047 191 E CA 0.189 56.628 56.400 0.065 0.000 0.867 191 E CB -0.078 29.648 29.700 0.042 0.000 0.858 191 E HN 0.709 nan 8.360 nan 0.000 0.513 192 Q N 0.384 120.231 119.800 0.078 0.000 2.317 192 Q HA 0.575 4.915 4.340 -0.000 0.000 0.229 192 Q C -0.604 175.431 176.000 0.058 0.000 0.984 192 Q CA -0.155 55.690 55.803 0.069 0.000 0.911 192 Q CB 1.460 30.226 28.738 0.046 0.000 1.217 192 Q HN 0.253 nan 8.270 nan 0.000 0.501 193 A N 0.542 123.379 122.820 0.028 0.000 2.520 193 A HA 0.421 4.741 4.320 -0.000 0.000 0.298 193 A C -1.068 176.534 177.584 0.030 0.000 1.051 193 A CA -0.674 51.372 52.037 0.014 0.000 0.690 193 A CB 0.470 19.466 19.000 -0.007 0.000 1.281 193 A HN 0.804 nan 8.150 nan 0.000 0.402 194 Y N 0.908 121.300 120.300 0.153 0.000 2.337 194 Y HA 0.055 4.605 4.550 -0.000 0.000 0.293 194 Y C 0.760 176.710 175.900 0.083 0.000 1.123 194 Y CA 1.194 59.365 58.100 0.118 0.000 1.201 194 Y CB 0.175 38.703 38.460 0.113 0.000 1.011 194 Y HN 0.501 nan 8.280 nan 0.000 0.545 195 K N 1.690 122.208 120.400 0.196 0.000 2.473 195 K HA 0.232 4.552 4.320 -0.000 0.000 0.246 195 K C -1.090 175.518 176.600 0.013 0.000 1.011 195 K CA -0.298 56.023 56.287 0.056 0.000 0.984 195 K CB 0.613 33.042 32.500 -0.120 0.000 1.250 195 K HN 0.072 nan 8.250 nan 0.000 0.454 196 N N 3.803 122.559 118.700 0.093 0.000 2.438 196 N HA 0.382 5.122 4.740 -0.000 0.000 0.282 196 N C -0.711 174.888 175.510 0.148 0.000 1.037 196 N CA -0.364 52.756 53.050 0.116 0.000 0.942 196 N CB 1.576 40.182 38.487 0.198 0.000 1.136 196 N HN 0.333 nan 8.380 nan 0.000 0.481 197 I N 3.295 123.938 120.570 0.121 0.000 2.497 197 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 197 I C -2.154 174.064 176.117 0.167 0.000 1.060 197 I CA -1.969 59.424 61.300 0.155 0.000 1.071 197 I CB 1.997 40.088 38.000 0.151 0.000 1.216 197 I HN 0.203 nan 8.210 nan 0.000 0.442 198 P HA 0.058 nan 4.420 nan 0.000 0.249 198 P C -0.528 176.959 177.300 0.312 0.000 1.686 198 P CA 0.320 63.656 63.100 0.394 0.000 0.873 198 P CB -0.574 31.464 31.700 0.563 0.000 1.828 199 F N 2.736 122.659 119.950 -0.044 0.000 2.529 199 F HA 0.535 5.062 4.527 -0.000 0.000 0.320 199 F C -0.986 174.692 175.800 -0.202 0.000 1.118 199 F CA -1.239 56.654 58.000 -0.178 0.000 0.915 199 F CB 1.465 40.231 39.000 -0.390 0.000 1.161 199 F HN -0.040 nan 8.300 nan 0.000 0.445 203 N N 0.146 118.868 118.700 0.037 0.000 2.434 203 N HA 0.038 4.778 4.740 -0.000 0.000 0.196 203 N C 0.824 176.331 175.510 -0.005 0.000 1.183 203 N CA -0.241 52.808 53.050 -0.001 0.000 0.849 203 N CB -0.243 38.275 38.487 0.051 0.000 0.992 203 N HN 0.433 nan 8.380 nan 0.000 0.460 204 R N -0.081 120.413 120.500 -0.011 0.000 2.393 204 R HA 0.218 4.558 4.340 -0.000 0.000 0.244 204 R C 0.658 177.033 176.300 0.124 0.000 0.920 204 R CA 0.355 56.509 56.100 0.090 0.000 1.076 204 R CB -0.465 29.972 30.300 0.229 0.000 1.119 204 R HN 0.412 nan 8.270 nan 0.000 0.524 205 G N 1.532 110.342 108.800 0.017 0.000 2.160 205 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.244 205 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.244 205 G C -0.323 174.653 174.900 0.127 0.000 1.022 205 G CA 0.782 45.910 45.100 0.047 0.000 0.741 205 G HN 0.482 nan 8.290 nan 0.000 0.508 206 Y N -2.246 118.054 120.300 0.001 0.000 2.588 206 Y HA 0.812 5.362 4.550 -0.000 0.000 0.343 206 Y C 0.292 176.155 175.900 -0.061 0.000 1.065 206 Y CA -1.270 56.824 58.100 -0.011 0.000 1.038 206 Y CB 0.923 39.375 38.460 -0.013 0.000 1.297 206 Y HN 0.661 nan 8.280 nan 0.000 0.467 207 G N 0.250 109.068 108.800 0.030 0.000 2.630 207 G HA2 0.674 4.634 3.960 -0.000 0.000 0.296 207 G HA3 0.674 4.634 3.960 -0.000 0.000 0.296 207 G C -2.154 172.625 174.900 -0.201 0.000 1.285 207 G CA -1.321 43.628 45.100 -0.251 0.000 0.958 207 G HN 0.767 nan 8.290 nan 0.000 0.479 208 V N 0.418 119.934 119.914 -0.663 0.000 2.668 208 V HA 0.486 4.606 4.120 -0.000 0.000 0.304 208 V C -1.159 174.800 176.094 -0.225 0.000 1.071 208 V CA -0.624 61.428 62.300 -0.414 0.000 0.894 208 V CB 1.621 33.002 31.823 -0.736 0.000 1.008 208 V HN 0.765 nan 8.190 nan 0.000 0.425 209 L N 6.323 127.707 121.223 0.269 0.000 2.313 209 L HA 0.746 5.086 4.340 -0.000 0.000 0.283 209 L C -0.576 176.531 176.870 0.394 0.000 1.013 209 L CA -0.106 54.998 54.840 0.440 0.000 0.816 209 L CB 1.892 44.328 42.059 0.628 0.000 1.236 209 L HN 0.444 nan 8.230 nan 0.000 0.419 210 V N 4.792 124.880 119.914 0.289 0.000 2.334 210 V HA 0.258 4.378 4.120 -0.000 0.000 0.267 210 V C 0.507 176.860 176.094 0.433 0.000 1.040 210 V CA -0.541 61.905 62.300 0.243 0.000 0.866 210 V CB 0.695 32.488 31.823 -0.049 0.000 1.019 210 V HN 0.796 nan 8.190 nan 0.000 0.468 211 N N 4.473 123.424 118.700 0.418 0.000 3.127 211 N HA 0.016 4.756 4.740 -0.000 0.000 0.317 211 N C -0.346 175.051 175.510 -0.187 0.000 1.242 211 N CA 0.264 53.511 53.050 0.328 0.000 1.203 211 N CB -0.492 38.274 38.487 0.465 0.000 1.462 211 N HN 0.690 nan 8.380 nan 0.000 0.546 212 H N 0.462 119.644 119.070 0.188 0.000 3.108 212 H HA 0.207 4.763 4.556 -0.000 0.000 0.329 212 H C -1.938 173.306 175.328 -0.140 0.000 0.978 212 H CA -1.347 54.694 56.048 -0.012 0.000 1.413 212 H CB 2.147 31.941 29.762 0.053 0.000 1.670 212 H HN 0.236 nan 8.280 nan 0.000 0.512 213 P HA -0.144 nan 4.420 nan 0.000 0.221 213 P C 1.000 178.384 177.300 0.140 0.000 1.150 213 P CA 0.950 63.884 63.100 -0.276 0.000 0.800 213 P CB 0.496 31.952 31.700 -0.406 0.000 0.787 214 Q N -0.101 119.810 119.800 0.185 0.000 2.526 214 Q HA 0.009 4.349 4.340 -0.000 0.000 0.207 214 Q C 0.147 176.385 176.000 0.396 0.000 1.078 214 Q CA -0.322 55.679 55.803 0.332 0.000 1.041 214 Q CB -0.658 28.221 28.738 0.235 0.000 1.228 214 Q HN -0.004 nan 8.270 nan 0.000 0.603 215 C N 1.152 120.719 119.300 0.445 0.000 2.590 215 C HA 0.279 4.739 4.460 -0.000 0.000 0.411 215 C C -0.006 175.108 174.990 0.207 0.000 1.420 215 C CA -0.272 58.958 59.018 0.354 0.000 1.643 215 C CB -1.104 26.666 27.740 0.048 0.000 2.528 215 C HN 0.456 nan 8.230 nan 0.000 0.606 216 V N 7.040 127.101 119.914 0.245 0.000 2.417 216 V HA 0.388 4.508 4.120 -0.000 0.000 0.291 216 V C 0.260 176.411 176.094 0.095 0.000 1.024 216 V CA -0.086 62.277 62.300 0.104 0.000 0.861 216 V CB 1.799 33.685 31.823 0.104 0.000 0.985 216 V HN 0.926 nan 8.190 nan 0.000 0.436 217 S N 5.314 121.001 115.700 -0.022 0.000 2.410 217 S HA 0.647 5.117 4.470 -0.000 0.000 0.304 217 S C -0.850 173.732 174.600 -0.030 0.000 1.095 217 S CA -0.397 57.818 58.200 0.025 0.000 1.089 217 S CB -0.172 63.010 63.200 -0.030 0.000 0.968 217 S HN 0.382 nan 8.310 nan 0.000 0.480 218 F N 2.987 122.985 119.950 0.080 0.000 2.420 218 F HA 0.440 4.966 4.527 -0.000 0.000 0.342 218 F C 0.825 176.627 175.800 0.004 0.000 1.113 218 F CA -0.710 57.336 58.000 0.077 0.000 1.059 218 F CB 1.327 40.357 39.000 0.050 0.000 1.128 218 F HN 0.390 nan 8.300 nan 0.000 0.475 219 E N 3.383 123.676 120.200 0.156 0.000 2.376 219 E HA 0.214 4.564 4.350 -0.000 0.000 0.236 219 E C -0.889 175.727 176.600 0.028 0.000 0.962 219 E CA -0.325 56.103 56.400 0.046 0.000 0.768 219 E CB 1.518 31.206 29.700 -0.020 0.000 1.236 219 E HN 0.265 nan 8.360 nan 0.000 0.431 220 V N 1.485 121.399 119.914 -0.000 0.000 2.287 220 V HA 0.199 4.319 4.120 -0.000 0.000 0.246 220 V C 1.426 177.466 176.094 -0.090 0.000 1.165 220 V CA 0.360 62.609 62.300 -0.084 0.000 1.088 220 V CB -0.103 31.619 31.823 -0.168 0.000 1.242 220 V HN 0.871 nan 8.190 nan 0.000 0.497 221 G N 4.473 113.228 108.800 -0.075 0.000 2.225 221 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.267 221 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.267 221 G C 0.800 175.662 174.900 -0.063 0.000 1.024 221 G CA 0.716 45.775 45.100 -0.069 0.000 0.784 221 G HN 1.085 nan 8.290 nan 0.000 0.507 222 S N -2.132 113.534 115.700 -0.057 0.000 2.540 222 S HA 0.406 4.876 4.470 -0.000 0.000 0.222 222 S C 1.249 175.812 174.600 -0.061 0.000 1.008 222 S CA 0.862 59.029 58.200 -0.055 0.000 0.939 222 S CB 0.726 63.899 63.200 -0.046 0.000 0.865 222 S HN 0.634 nan 8.310 nan 0.000 0.499 223 E N 0.948 121.107 120.200 -0.068 0.000 2.756 223 E HA 0.233 4.583 4.350 -0.000 0.000 0.192 223 E C -0.526 176.021 176.600 -0.088 0.000 1.022 223 E CA -0.085 56.264 56.400 -0.085 0.000 1.224 223 E CB 0.515 30.154 29.700 -0.101 0.000 1.252 223 E HN 0.013 nan 8.360 nan 0.000 0.494 224 K N 2.187 122.539 120.400 -0.080 0.000 2.299 224 K HA 0.204 4.524 4.320 -0.000 0.000 0.268 224 K C 0.823 177.384 176.600 -0.065 0.000 1.075 224 K CA -0.113 56.127 56.287 -0.078 0.000 0.936 224 K CB 1.485 33.944 32.500 -0.069 0.000 1.228 224 K HN 0.083 nan 8.250 nan 0.000 0.454 225 V N 1.559 121.433 119.914 -0.067 0.000 2.357 225 V HA -0.283 3.837 4.120 -0.000 0.000 0.257 225 V C 0.998 177.063 176.094 -0.048 0.000 1.082 225 V CA 2.062 64.328 62.300 -0.057 0.000 1.078 225 V CB -0.180 31.610 31.823 -0.056 0.000 0.663 225 V HN 0.617 nan 8.190 nan 0.000 0.455 226 S N -0.859 114.816 115.700 -0.042 0.000 2.581 226 S HA 0.389 4.859 4.470 -0.000 0.000 0.245 226 S C -0.048 174.541 174.600 -0.018 0.000 1.115 226 S CA -0.346 57.837 58.200 -0.028 0.000 1.093 226 S CB 0.123 63.311 63.200 -0.020 0.000 0.853 226 S HN 0.556 nan 8.310 nan 0.000 0.479 227 K N 0.592 120.976 120.400 -0.028 0.000 2.532 227 K HA 0.532 4.851 4.320 -0.000 0.000 0.265 227 K C -1.371 175.212 176.600 -0.029 0.000 0.948 227 K CA -0.673 55.605 56.287 -0.014 0.000 0.842 227 K CB 2.340 34.830 32.500 -0.016 0.000 1.392 227 K HN -0.083 nan 8.250 nan 0.000 0.436 228 V N 2.761 122.671 119.914 -0.008 0.000 2.318 228 V HA 0.202 4.322 4.120 -0.000 0.000 0.271 228 V C -0.276 175.849 176.094 0.052 0.000 1.030 228 V CA -0.466 61.827 62.300 -0.011 0.000 0.844 228 V CB 0.989 32.740 31.823 -0.121 0.000 1.015 228 V HN 0.645 nan 8.190 nan 0.000 0.460 229 Q N 5.363 125.181 119.800 0.030 0.000 2.241 229 Q HA 0.674 5.013 4.340 -0.000 0.000 0.254 229 Q C -1.470 174.542 176.000 0.020 0.000 0.917 229 Q CA -0.577 55.190 55.803 -0.059 0.000 0.919 229 Q CB 1.572 30.279 28.738 -0.051 0.000 1.237 229 Q HN 0.704 nan 8.270 nan 0.000 0.434 230 F N 0.317 120.208 119.950 -0.099 0.000 2.581 230 F HA 0.707 5.234 4.527 -0.000 0.000 0.311 230 F C -1.101 174.598 175.800 -0.168 0.000 1.113 230 F CA -0.882 56.925 58.000 -0.323 0.000 0.935 230 F CB 1.451 40.039 39.000 -0.686 0.000 1.232 230 F HN 0.452 nan 8.300 nan 0.000 0.445 231 S N 1.975 117.682 115.700 0.010 0.000 2.595 231 S HA 0.918 5.388 4.470 -0.000 0.000 0.281 231 S C -1.627 172.989 174.600 0.027 0.000 1.117 231 S CA -0.858 57.372 58.200 0.051 0.000 0.873 231 S CB 1.879 65.079 63.200 -0.000 0.000 1.108 231 S HN 1.563 nan 8.310 nan 0.000 0.477 232 V N 0.464 120.407 119.914 0.048 0.000 2.969 232 V HA 0.511 4.631 4.120 -0.000 0.000 0.304 232 V C -1.149 174.939 176.094 -0.011 0.000 1.192 232 V CA -0.688 61.596 62.300 -0.026 0.000 0.962 232 V CB 1.940 33.579 31.823 -0.308 0.000 1.045 232 V HN 1.148 nan 8.190 nan 0.000 0.428 233 E N 3.830 123.989 120.200 -0.068 0.000 1.985 233 E HA 0.519 4.869 4.350 -0.000 0.000 0.268 233 E C -0.516 175.941 176.600 -0.239 0.000 1.219 233 E CA 0.376 56.558 56.400 -0.363 0.000 0.942 233 E CB 0.333 29.785 29.700 -0.413 0.000 1.045 233 E HN 0.796 nan 8.360 nan 0.000 0.413 234 S N 3.170 118.746 115.700 -0.206 0.000 2.578 234 S HA 0.111 4.581 4.470 -0.000 0.000 0.272 234 S C -0.182 174.426 174.600 0.015 0.000 1.145 234 S CA -0.733 57.385 58.200 -0.137 0.000 0.835 234 S CB 1.378 64.368 63.200 -0.351 0.000 1.104 234 S HN 0.511 nan 8.310 nan 0.000 0.458 235 E N 0.977 121.266 120.200 0.147 0.000 2.489 235 E HA 0.195 4.545 4.350 -0.000 0.000 0.193 235 E C -0.515 176.291 176.600 0.344 0.000 1.057 235 E CA 0.491 57.066 56.400 0.293 0.000 0.866 235 E CB -0.035 29.861 29.700 0.326 0.000 0.916 235 E HN 0.575 nan 8.360 nan 0.000 0.500 236 Y N -2.229 118.191 120.300 0.200 0.000 2.609 236 Y HA 0.580 5.130 4.550 -0.000 0.000 0.336 236 Y C -1.631 174.418 175.900 0.248 0.000 1.129 236 Y CA -1.735 56.489 58.100 0.207 0.000 1.040 236 Y CB 0.849 39.412 38.460 0.172 0.000 1.310 236 Y HN -0.209 nan 8.280 nan 0.000 0.460 237 L N 2.484 123.888 121.223 0.302 0.000 2.409 237 L HA 0.646 4.986 4.340 -0.000 0.000 0.272 237 L C -1.321 175.843 176.870 0.490 0.000 0.980 237 L CA -0.531 54.516 54.840 0.344 0.000 0.826 237 L CB 2.009 44.230 42.059 0.271 0.000 1.268 237 L HN 0.898 nan 8.230 nan 0.000 0.407 238 E N 4.010 124.567 120.200 0.594 0.000 2.224 238 E HA 0.539 4.889 4.350 -0.000 0.000 0.265 238 E C -1.957 174.774 176.600 0.219 0.000 0.878 238 E CA -0.614 55.936 56.400 0.249 0.000 0.759 238 E CB 1.459 31.292 29.700 0.221 0.000 1.164 238 E HN 0.588 nan 8.360 nan 0.000 0.414 239 Y N 1.262 121.503 120.300 -0.098 0.000 2.615 239 Y HA 0.700 5.250 4.550 -0.000 0.000 0.341 239 Y C -1.630 174.054 175.900 -0.360 0.000 1.089 239 Y CA -1.465 56.592 58.100 -0.072 0.000 1.049 239 Y CB 1.065 39.575 38.460 0.084 0.000 1.296 239 Y HN 0.235 nan 8.280 nan 0.000 0.470 240 F N 1.370 121.471 119.950 0.252 0.000 2.460 240 F HA 0.566 5.093 4.527 -0.000 0.000 0.341 240 F C -0.647 175.221 175.800 0.114 0.000 1.130 240 F CA -1.232 56.834 58.000 0.111 0.000 0.962 240 F CB 1.991 41.107 39.000 0.195 0.000 1.171 240 F HN 0.332 nan 8.300 nan 0.000 0.436 241 V N 5.344 125.338 119.914 0.134 0.000 2.455 241 V HA 0.260 4.380 4.120 -0.000 0.000 0.273 241 V C 0.223 176.381 176.094 0.106 0.000 1.045 241 V CA -0.315 61.989 62.300 0.008 0.000 0.976 241 V CB 0.852 32.463 31.823 -0.354 0.000 0.993 241 V HN 0.525 nan 8.190 nan 0.000 0.475 242 I N 4.117 124.782 120.570 0.160 0.000 2.354 242 I HA 0.326 4.496 4.170 -0.000 0.000 0.286 242 I C 0.034 176.244 176.117 0.156 0.000 1.007 242 I CA -0.458 60.939 61.300 0.162 0.000 1.167 242 I CB 1.535 39.685 38.000 0.251 0.000 1.320 242 I HN 0.536 nan 8.210 nan 0.000 0.458 243 D N 4.485 124.950 120.400 0.108 0.000 2.360 243 D HA 0.563 5.203 4.640 -0.000 0.000 0.242 243 D C 0.230 176.583 176.300 0.087 0.000 1.184 243 D CA 0.283 54.346 54.000 0.105 0.000 0.930 243 D CB 1.238 42.077 40.800 0.066 0.000 1.161 243 D HN 0.749 nan 8.370 nan 0.000 0.447 244 G N 1.646 110.493 108.800 0.078 0.000 3.247 244 G HA2 0.121 4.081 3.960 -0.000 0.000 0.243 244 G HA3 0.121 4.081 3.960 -0.000 0.000 0.243 244 G C -2.030 172.896 174.900 0.045 0.000 3.838 244 G CA -0.595 44.534 45.100 0.048 0.000 0.438 244 G HN 0.314 nan 8.290 nan 0.000 0.304 245 P HA -0.226 nan 4.420 nan 0.000 0.226 245 P C 1.414 178.727 177.300 0.023 0.000 1.154 245 P CA 2.527 65.647 63.100 0.033 0.000 0.918 245 P CB 0.128 31.838 31.700 0.017 0.000 0.790 246 T N -7.822 106.733 114.554 0.002 0.000 2.918 246 T HA 0.431 4.781 4.350 -0.000 0.000 0.286 246 T C -2.244 172.436 174.700 -0.033 0.000 1.026 246 T CA -2.479 59.608 62.100 -0.021 0.000 1.031 246 T CB 1.745 70.591 68.868 -0.036 0.000 1.046 246 T HN -0.224 nan 8.240 nan 0.000 0.479 247 P HA -0.111 nan 4.420 nan 0.000 0.216 247 P C 1.388 178.652 177.300 -0.060 0.000 1.154 247 P CA 1.350 64.403 63.100 -0.080 0.000 0.865 247 P CB 0.085 31.701 31.700 -0.140 0.000 0.789 248 K N -0.720 119.638 120.400 -0.070 0.000 2.063 248 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 248 K C 2.141 178.715 176.600 -0.043 0.000 1.048 248 K CA 1.574 57.821 56.287 -0.066 0.000 0.928 248 K CB -0.664 31.790 32.500 -0.077 0.000 0.713 248 K HN 0.054 nan 8.250 nan 0.000 0.442 249 A N 0.898 123.700 122.820 -0.031 0.000 1.933 249 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 249 A C 2.329 179.917 177.584 0.007 0.000 1.175 249 A CA 1.251 53.278 52.037 -0.016 0.000 0.628 249 A CB -0.527 18.467 19.000 -0.010 0.000 0.814 249 A HN 0.071 nan 8.150 nan 0.000 0.444 250 V N -0.387 119.540 119.914 0.022 0.000 2.295 250 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 250 V C 2.427 178.570 176.094 0.081 0.000 1.049 250 V CA 1.776 64.119 62.300 0.072 0.000 1.024 250 V CB -0.660 31.216 31.823 0.089 0.000 0.648 250 V HN 0.485 nan 8.190 nan 0.000 0.447 251 L N 0.221 121.463 121.223 0.032 0.000 2.201 251 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 251 L C 2.076 178.937 176.870 -0.014 0.000 1.105 251 L CA 1.864 56.705 54.840 0.001 0.000 0.775 251 L CB -1.023 41.010 42.059 -0.043 0.000 0.913 251 L HN 0.417 nan 8.230 nan 0.000 0.440 252 D N -0.588 119.798 120.400 -0.023 0.000 2.103 252 D HA -0.143 4.497 4.640 -0.000 0.000 0.199 252 D C 2.301 178.577 176.300 -0.041 0.000 0.978 252 D CA 1.159 55.133 54.000 -0.044 0.000 0.829 252 D CB 0.180 40.955 40.800 -0.041 0.000 0.981 252 D HN 0.160 nan 8.370 nan 0.000 0.464 253 R N -0.954 119.539 120.500 -0.011 0.000 2.075 253 R HA -0.152 4.188 4.340 -0.000 0.000 0.232 253 R C 2.412 178.712 176.300 0.001 0.000 1.126 253 R CA 1.137 57.229 56.100 -0.014 0.000 0.963 253 R CB -0.637 29.663 30.300 0.001 0.000 0.858 253 R HN 0.354 nan 8.270 nan 0.000 0.435 254 Y N 1.946 122.184 120.300 -0.103 0.000 2.181 254 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 254 Y C 2.557 178.317 175.900 -0.233 0.000 1.146 254 Y CA 2.119 60.105 58.100 -0.189 0.000 1.164 254 Y CB -0.228 37.937 38.460 -0.493 0.000 0.982 254 Y HN 0.115 nan 8.280 nan 0.000 0.515 255 T N -1.571 112.805 114.554 -0.297 0.000 2.951 255 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 255 T C 1.991 176.504 174.700 -0.311 0.000 1.073 255 T CA 1.105 62.973 62.100 -0.388 0.000 1.134 255 T CB -0.432 68.288 68.868 -0.247 0.000 0.884 255 T HN 0.394 nan 8.240 nan 0.000 0.479 256 R N -0.144 120.242 120.500 -0.190 0.000 2.115 256 R HA 0.057 4.397 4.340 -0.000 0.000 0.230 256 R C 2.170 178.411 176.300 -0.098 0.000 1.111 256 R CA 0.996 57.019 56.100 -0.127 0.000 0.976 256 R CB -0.423 29.829 30.300 -0.080 0.000 0.870 256 R HN 0.561 nan 8.270 nan 0.000 0.445 257 F N 0.587 120.330 119.950 -0.344 0.000 2.163 257 F HA -0.136 4.391 4.527 -0.000 0.000 0.297 257 F C 1.934 177.456 175.800 -0.462 0.000 1.094 257 F CA 1.498 59.269 58.000 -0.381 0.000 1.290 257 F CB 0.225 38.978 39.000 -0.412 0.000 1.017 257 F HN 0.153 nan 8.300 nan 0.000 0.483 258 T N -2.577 111.549 114.554 -0.713 0.000 3.010 258 T HA 0.497 4.847 4.350 -0.000 0.000 0.257 258 T C 0.500 174.839 174.700 -0.600 0.000 1.020 258 T CA 0.303 61.905 62.100 -0.831 0.000 0.938 258 T CB 0.665 68.854 68.868 -1.132 0.000 1.049 258 T HN 0.414 nan 8.240 nan 0.000 0.522 259 G N 1.270 109.766 108.800 -0.506 0.000 2.462 259 G HA2 0.261 4.221 3.960 -0.000 0.000 0.424 259 G HA3 0.261 4.221 3.960 -0.000 0.000 0.424 259 G C -1.409 173.249 174.900 -0.403 0.000 1.573 259 G CA -1.261 43.587 45.100 -0.421 0.000 0.913 259 G HN 0.287 nan 8.290 nan 0.000 0.672 260 R N 1.543 121.860 120.500 -0.305 0.000 2.357 260 R HA 0.460 4.799 4.340 -0.000 0.000 0.296 260 R C -2.469 173.677 176.300 -0.256 0.000 1.052 260 R CA -1.814 54.140 56.100 -0.244 0.000 0.988 260 R CB 1.041 31.248 30.300 -0.154 0.000 1.025 260 R HN 0.292 nan 8.270 nan 0.000 0.469 261 P HA 0.043 nan 4.420 nan 0.000 0.271 261 P C -0.582 176.716 177.300 -0.004 0.000 1.216 261 P CA 0.165 63.194 63.100 -0.118 0.000 0.771 261 P CB 0.732 32.417 31.700 -0.024 0.000 0.864 262 A N 3.500 126.292 122.820 -0.046 0.000 2.313 262 A HA 0.355 4.675 4.320 -0.000 0.000 0.261 262 A C -0.356 177.293 177.584 0.109 0.000 1.090 262 A CA -0.253 51.806 52.037 0.036 0.000 0.807 262 A CB -0.132 18.897 19.000 0.048 0.000 1.055 262 A HN 0.557 nan 8.150 nan 0.000 0.492 263 L N 2.213 123.502 121.223 0.110 0.000 2.261 263 L HA 0.476 4.815 4.340 -0.000 0.000 0.289 263 L C -2.302 174.589 176.870 0.036 0.000 1.059 263 L CA -1.853 53.017 54.840 0.049 0.000 0.816 263 L CB 0.551 42.652 42.059 0.069 0.000 1.191 263 L HN 0.339 nan 8.230 nan 0.000 0.431 264 P HA 0.337 nan 4.420 nan 0.000 0.274 264 P C -2.671 174.732 177.300 0.171 0.000 1.231 264 P CA -1.388 61.678 63.100 -0.057 0.000 0.790 264 P CB 0.018 31.528 31.700 -0.317 0.000 0.951 265 P HA 0.052 nan 4.420 nan 0.000 0.271 265 P C 0.419 177.792 177.300 0.122 0.000 1.218 265 P CA 0.064 63.112 63.100 -0.086 0.000 0.780 265 P CB 0.385 31.703 31.700 -0.636 0.000 0.901 266 A N 4.042 126.978 122.820 0.194 0.000 1.908 266 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 266 A C 1.881 179.675 177.584 0.350 0.000 1.181 266 A CA 1.595 53.770 52.037 0.230 0.000 0.627 266 A CB -1.770 17.191 19.000 -0.065 0.000 0.818 266 A HN 0.857 nan 8.150 nan 0.000 0.445 267 W N 0.874 122.311 121.300 0.229 0.000 2.387 267 W HA -0.165 4.495 4.660 -0.000 0.000 0.272 267 W C 1.724 178.367 176.519 0.207 0.000 1.224 267 W CA 1.309 58.743 57.345 0.148 0.000 1.210 267 W CB -1.288 28.202 29.460 0.050 0.000 1.125 267 W HN 0.528 nan 8.180 nan 0.000 0.572 268 S N 0.260 115.937 115.700 -0.037 0.000 2.481 268 S HA -0.124 4.346 4.470 -0.000 0.000 0.231 268 S C 1.296 176.109 174.600 0.356 0.000 0.996 268 S CA 0.489 58.779 58.200 0.150 0.000 0.942 268 S CB -1.252 61.851 63.200 -0.162 0.000 0.768 268 S HN 0.141 nan 8.310 nan 0.000 0.520 269 F N 2.697 122.712 119.950 0.108 0.000 2.811 269 F HA 0.379 4.906 4.527 -0.000 0.000 0.301 269 F C 1.876 177.727 175.800 0.085 0.000 1.151 269 F CA -0.404 57.550 58.000 -0.076 0.000 1.412 269 F CB -0.746 38.215 39.000 -0.065 0.000 1.113 269 F HN 0.311 nan 8.300 nan 0.000 0.579 270 G N 0.043 109.016 108.800 0.289 0.000 2.516 270 G HA2 0.303 4.263 3.960 -0.000 0.000 0.276 270 G HA3 0.303 4.263 3.960 -0.000 0.000 0.276 270 G C -0.970 174.193 174.900 0.439 0.000 1.390 270 G CA -0.552 44.613 45.100 0.109 0.000 1.050 270 G HN 0.013 nan 8.290 nan 0.000 0.519 271 L N -0.186 121.412 121.223 0.624 0.000 2.281 271 L HA 0.490 4.830 4.340 -0.000 0.000 0.285 271 L C -0.976 176.160 176.870 0.443 0.000 1.074 271 L CA -0.945 54.190 54.840 0.492 0.000 0.817 271 L CB 0.377 42.655 42.059 0.366 0.000 1.168 271 L HN 0.423 nan 8.230 nan 0.000 0.434 272 W N 6.108 127.487 121.300 0.131 0.000 2.381 272 W HA 0.535 5.195 4.660 -0.000 0.000 0.329 272 W C -0.455 176.065 176.519 0.002 0.000 1.157 272 W CA -0.502 56.857 57.345 0.023 0.000 1.240 272 W CB 0.968 30.349 29.460 -0.133 0.000 1.199 272 W HN 0.252 nan 8.180 nan 0.000 0.579 273 L N 3.867 125.189 121.223 0.165 0.000 2.410 273 L HA 0.612 4.952 4.340 -0.000 0.000 0.270 273 L C -0.322 176.500 176.870 -0.080 0.000 0.983 273 L CA -0.364 54.557 54.840 0.134 0.000 0.822 273 L CB 1.449 43.667 42.059 0.265 0.000 1.285 273 L HN 0.618 nan 8.230 nan 0.000 0.409 274 T N 0.059 114.543 114.554 -0.116 0.000 2.930 274 T HA 0.659 5.009 4.350 -0.000 0.000 0.290 274 T C -0.057 174.535 174.700 -0.181 0.000 1.052 274 T CA -0.511 61.420 62.100 -0.282 0.000 1.017 274 T CB 1.558 70.270 68.868 -0.259 0.000 1.137 274 T HN 0.694 nan 8.240 nan 0.000 0.511 275 T N 1.010 115.424 114.554 -0.233 0.000 2.832 275 T HA 0.430 4.780 4.350 -0.000 0.000 0.296 275 T C 0.398 175.107 174.700 0.014 0.000 0.968 275 T CA -0.781 61.250 62.100 -0.115 0.000 1.107 275 T CB 0.441 69.275 68.868 -0.056 0.000 0.916 275 T HN 0.645 nan 8.240 nan 0.000 0.517 276 S N 2.343 118.032 115.700 -0.018 0.000 2.563 276 S HA 0.010 4.480 4.470 -0.000 0.000 0.294 276 S C 0.774 175.451 174.600 0.129 0.000 1.279 276 S CA -0.597 57.656 58.200 0.089 0.000 1.069 276 S CB -0.275 62.907 63.200 -0.031 0.000 0.828 276 S HN 0.648 nan 8.310 nan 0.000 0.497 277 F N 3.436 123.436 119.950 0.083 0.000 2.257 277 F HA -0.155 4.372 4.527 -0.000 0.000 0.302 277 F C 1.876 177.669 175.800 -0.011 0.000 1.056 277 F CA 1.691 59.762 58.000 0.119 0.000 1.353 277 F CB -0.207 38.911 39.000 0.198 0.000 1.064 277 F HN 0.537 nan 8.300 nan 0.000 0.520 278 T N -0.720 113.769 114.554 -0.108 0.000 3.466 278 T HA 0.380 4.730 4.350 -0.000 0.000 0.297 278 T C 0.442 174.948 174.700 -0.323 0.000 1.640 278 T CA 0.457 62.400 62.100 -0.262 0.000 1.631 278 T CB -0.455 68.354 68.868 -0.099 0.000 0.928 278 T HN 0.374 nan 8.240 nan 0.000 0.688 279 T N -1.316 112.810 114.554 -0.713 0.000 3.555 279 T HA 0.109 4.459 4.350 -0.000 0.000 0.290 279 T C 0.755 174.672 174.700 -1.305 0.000 0.893 279 T CA -0.156 61.264 62.100 -1.135 0.000 1.029 279 T CB -0.573 68.007 68.868 -0.479 0.000 1.188 279 T HN 0.428 nan 8.240 nan 0.000 0.526 280 N N 2.474 120.817 118.700 -0.595 0.000 2.874 280 N HA -0.014 4.726 4.740 -0.000 0.000 0.316 280 N C -0.126 175.265 175.510 -0.198 0.000 1.205 280 N CA -0.127 52.798 53.050 -0.209 0.000 1.180 280 N CB -0.507 38.089 38.487 0.182 0.000 1.450 280 N HN 0.499 nan 8.380 nan 0.000 0.528 281 Y N -0.873 119.396 120.300 -0.051 0.000 2.519 281 Y HA 0.235 4.785 4.550 -0.000 0.000 0.287 281 Y C 0.909 176.714 175.900 -0.157 0.000 1.128 281 Y CA -0.191 57.842 58.100 -0.111 0.000 1.282 281 Y CB 0.250 38.646 38.460 -0.107 0.000 1.027 281 Y HN 0.342 nan 8.280 nan 0.000 0.551 282 D N -1.238 119.143 120.400 -0.032 0.000 2.643 282 D HA 0.124 4.763 4.640 -0.000 0.000 0.283 282 D C -0.004 176.261 176.300 -0.058 0.000 1.242 282 D CA -0.335 53.602 54.000 -0.105 0.000 0.863 282 D CB 1.318 42.114 40.800 -0.006 0.000 1.382 282 D HN 0.061 nan 8.370 nan 0.000 0.444 283 E N -0.161 120.029 120.200 -0.017 0.000 2.482 283 E HA 0.065 4.415 4.350 -0.000 0.000 0.196 283 E C 0.984 177.650 176.600 0.110 0.000 1.047 283 E CA 0.328 56.823 56.400 0.158 0.000 0.869 283 E CB 0.507 30.299 29.700 0.153 0.000 0.836 283 E HN 0.350 nan 8.360 nan 0.000 0.520 284 A N 0.604 123.461 122.820 0.061 0.000 1.993 284 A HA -0.029 4.291 4.320 -0.000 0.000 0.207 284 A C 2.195 179.813 177.584 0.057 0.000 1.224 284 A CA 0.785 52.849 52.037 0.046 0.000 0.749 284 A CB -0.385 18.632 19.000 0.029 0.000 0.884 284 A HN 0.189 nan 8.150 nan 0.000 0.467 285 T N -0.887 113.706 114.554 0.064 0.000 2.918 285 T HA -0.108 4.242 4.350 -0.000 0.000 0.271 285 T C 1.514 176.266 174.700 0.086 0.000 1.104 285 T CA 2.140 64.281 62.100 0.068 0.000 1.114 285 T CB -0.409 68.488 68.868 0.049 0.000 0.855 285 T HN 0.477 nan 8.240 nan 0.000 0.518 286 V N -0.143 119.826 119.914 0.092 0.000 2.911 286 V HA 0.281 4.401 4.120 -0.000 0.000 0.237 286 V C 2.087 178.176 176.094 -0.008 0.000 1.156 286 V CA 1.312 63.659 62.300 0.079 0.000 1.180 286 V CB -0.556 31.294 31.823 0.045 0.000 0.932 286 V HN 0.405 nan 8.190 nan 0.000 0.483 287 N N 1.346 120.034 118.700 -0.021 0.000 2.334 287 N HA -0.165 4.575 4.740 -0.000 0.000 0.187 287 N C 1.664 177.141 175.510 -0.056 0.000 1.016 287 N CA 2.059 55.071 53.050 -0.063 0.000 0.879 287 N CB -0.091 38.385 38.487 -0.019 0.000 0.965 287 N HN 0.765 nan 8.380 nan 0.000 0.438 288 S N -2.002 113.696 115.700 -0.004 0.000 2.506 288 S HA 0.045 4.515 4.470 -0.000 0.000 0.219 288 S C 1.654 176.260 174.600 0.010 0.000 1.031 288 S CA -0.500 57.697 58.200 -0.005 0.000 0.911 288 S CB -0.520 62.692 63.200 0.020 0.000 0.812 288 S HN 0.316 nan 8.310 nan 0.000 0.497 289 F N 4.361 124.269 119.950 -0.070 0.000 2.186 289 F HA 0.146 4.673 4.527 -0.000 0.000 0.299 289 F C 1.705 177.468 175.800 -0.062 0.000 1.090 289 F CA 1.205 59.175 58.000 -0.049 0.000 1.307 289 F CB -0.392 38.590 39.000 -0.029 0.000 1.019 289 F HN 0.325 nan 8.300 nan 0.000 0.489 290 I N -2.423 117.910 120.570 -0.396 0.000 3.291 290 I HA -0.021 4.149 4.170 -0.000 0.000 0.279 290 I C 1.170 177.087 176.117 -0.333 0.000 1.294 290 I CA 0.874 61.892 61.300 -0.469 0.000 1.428 290 I CB -0.612 37.191 38.000 -0.327 0.000 1.070 290 I HN -0.087 nan 8.210 nan 0.000 0.478 291 D N 2.191 122.444 120.400 -0.247 0.000 2.137 291 D HA 0.079 4.719 4.640 -0.000 0.000 0.202 291 D C 1.678 177.873 176.300 -0.174 0.000 0.970 291 D CA 1.075 54.972 54.000 -0.171 0.000 0.837 291 D CB -0.419 40.314 40.800 -0.112 0.000 0.981 291 D HN 0.453 nan 8.370 nan 0.000 0.475 295 E N 0.762 120.911 120.200 -0.085 0.000 2.097 295 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 295 E C 1.363 177.936 176.600 -0.046 0.000 1.000 295 E CA 1.455 57.819 56.400 -0.060 0.000 0.804 295 E CB -0.190 29.476 29.700 -0.056 0.000 0.740 295 E HN 0.543 nan 8.360 nan 0.000 0.454 296 R N 0.816 121.287 120.500 -0.048 0.000 2.363 296 R HA 0.089 4.429 4.340 -0.000 0.000 0.236 296 R C -0.258 176.030 176.300 -0.021 0.000 0.966 296 R CA -0.107 55.977 56.100 -0.026 0.000 1.100 296 R CB -0.015 30.274 30.300 -0.018 0.000 1.125 296 R HN 0.084 nan 8.270 nan 0.000 0.514 297 N N 0.936 119.614 118.700 -0.036 0.000 2.696 297 N HA -0.176 4.564 4.740 -0.000 0.000 0.256 297 N C -1.435 174.060 175.510 -0.025 0.000 1.031 297 N CA 0.807 53.837 53.050 -0.033 0.000 0.730 297 N CB -0.651 37.824 38.487 -0.020 0.000 0.894 297 N HN 0.076 nan 8.380 nan 0.000 0.544 298 L N 1.100 122.298 121.223 -0.041 0.000 2.324 298 L HA 0.410 4.750 4.340 -0.000 0.000 0.274 298 L C -1.840 174.989 176.870 -0.068 0.000 1.012 298 L CA -1.856 52.969 54.840 -0.025 0.000 0.859 298 L CB 1.013 43.063 42.059 -0.014 0.000 1.224 298 L HN -0.059 nan 8.230 nan 0.000 0.429 299 P HA 0.131 nan 4.420 nan 0.000 0.262 299 P C -0.727 176.377 177.300 -0.327 0.000 1.199 299 P CA 0.193 63.189 63.100 -0.173 0.000 0.763 299 P CB 0.427 32.118 31.700 -0.016 0.000 0.790 300 L N 4.257 125.196 121.223 -0.474 0.000 2.362 300 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 300 L C 0.281 176.806 176.870 -0.576 0.000 0.998 300 L CA -0.398 54.213 54.840 -0.382 0.000 0.820 300 L CB 1.461 43.419 42.059 -0.169 0.000 1.270 300 L HN 0.460 nan 8.230 nan 0.000 0.415 301 H N 2.804 121.876 119.070 0.005 0.000 2.788 301 H HA 0.355 4.911 4.556 -0.000 0.000 0.262 301 H C -0.623 174.610 175.328 -0.158 0.000 0.968 301 H CA -0.084 55.940 56.048 -0.039 0.000 1.218 301 H CB 0.882 30.674 29.762 0.049 0.000 1.443 301 H HN 0.255 nan 8.280 nan 0.000 0.478 302 V N 0.991 120.821 119.914 -0.140 0.000 2.686 302 V HA 0.231 4.351 4.120 -0.000 0.000 0.306 302 V C -1.473 174.509 176.094 -0.186 0.000 1.065 302 V CA -1.007 61.062 62.300 -0.386 0.000 0.894 302 V CB 2.475 33.609 31.823 -1.148 0.000 1.004 302 V HN 0.096 nan 8.190 nan 0.000 0.424 303 F N 3.711 123.496 119.950 -0.274 0.000 2.458 303 F HA 0.721 5.248 4.527 -0.000 0.000 0.336 303 F C -0.375 175.329 175.800 -0.160 0.000 1.114 303 F CA -0.488 57.400 58.000 -0.187 0.000 0.987 303 F CB 1.321 40.198 39.000 -0.206 0.000 1.130 303 F HN 0.724 nan 8.300 nan 0.000 0.458 304 H N 5.427 123.885 119.070 -1.020 0.000 2.466 304 H HA 0.459 5.015 4.556 -0.000 0.000 0.338 304 H C -1.664 173.155 175.328 -0.848 0.000 1.091 304 H CA -0.686 54.963 56.048 -0.665 0.000 1.207 304 H CB 0.813 30.353 29.762 -0.371 0.000 1.466 304 H HN 0.500 nan 8.280 nan 0.000 0.493 305 F N 4.098 123.454 119.950 -0.989 0.000 2.411 305 F HA 0.168 4.695 4.527 -0.000 0.000 0.350 305 F C 0.397 175.833 175.800 -0.606 0.000 1.114 305 F CA -0.526 57.115 58.000 -0.598 0.000 1.135 305 F CB 0.748 39.512 39.000 -0.393 0.000 1.120 305 F HN 0.693 nan 8.300 nan 0.000 0.495 306 D N 0.831 121.211 120.400 -0.032 0.000 2.433 306 D HA 0.059 4.699 4.640 -0.000 0.000 0.255 306 D C 1.142 177.484 176.300 0.070 0.000 1.226 306 D CA -0.687 53.366 54.000 0.089 0.000 1.015 306 D CB 0.151 41.082 40.800 0.218 0.000 1.091 306 D HN 0.550 nan 8.370 nan 0.000 0.527 307 C N -1.168 117.793 119.300 -0.564 0.000 2.397 307 C HA -0.212 4.248 4.460 -0.000 0.000 0.279 307 C C 2.277 176.558 174.990 -1.183 0.000 1.206 307 C CA 0.319 58.422 59.018 -1.526 0.000 1.818 307 C CB -1.632 24.491 27.740 -2.695 0.000 2.087 307 C HN 0.562 nan 8.230 nan 0.000 0.488 308 F N 1.074 120.830 119.950 -0.322 0.000 2.773 308 F HA 0.048 4.574 4.527 -0.000 0.000 0.299 308 F C 1.675 177.617 175.800 0.237 0.000 1.204 308 F CA -0.143 57.875 58.000 0.030 0.000 1.454 308 F CB -0.536 38.523 39.000 0.099 0.000 1.117 308 F HN 0.558 nan 8.300 nan 0.000 0.590 312 A N 1.874 124.478 122.820 -0.360 0.000 2.555 312 A HA 0.268 4.588 4.320 -0.000 0.000 0.233 312 A C 0.488 177.524 177.584 -0.914 0.000 1.060 312 A CA 1.011 52.447 52.037 -1.001 0.000 0.759 312 A CB -0.834 17.535 19.000 -1.052 0.000 0.995 312 A HN 0.890 nan 8.150 nan 0.000 0.506 313 F N -1.767 117.588 119.950 -0.992 0.000 2.825 313 F HA -0.307 4.220 4.527 -0.000 0.000 0.358 313 F C 1.417 176.966 175.800 -0.417 0.000 0.639 313 F CA 1.420 59.036 58.000 -0.639 0.000 1.153 313 F CB -1.179 37.577 39.000 -0.407 0.000 1.610 313 F HN 0.713 nan 8.300 nan 0.000 0.305 314 Q N -0.719 118.942 119.800 -0.232 0.000 2.172 314 Q HA 0.052 4.391 4.340 -0.000 0.000 0.217 314 Q C -0.318 175.754 176.000 0.119 0.000 0.832 314 Q CA -0.471 55.324 55.803 -0.013 0.000 1.010 314 Q CB 0.233 28.983 28.738 0.020 0.000 1.133 314 Q HN 0.257 nan 8.270 nan 0.000 0.489 315 W N 0.758 122.012 121.300 -0.077 0.000 2.520 315 W HA -0.046 4.614 4.660 -0.000 0.000 0.337 315 W C 0.597 177.191 176.519 0.125 0.000 1.406 315 W CA -0.559 56.772 57.345 -0.024 0.000 1.318 315 W CB -0.279 29.173 29.460 -0.013 0.000 1.338 315 W HN 0.254 nan 8.180 nan 0.000 0.570 316 C N 4.613 124.038 119.300 0.209 0.000 4.617 316 C HA -0.234 4.226 4.460 -0.000 0.000 0.314 316 C C 1.110 176.030 174.990 -0.116 0.000 1.194 316 C CA 0.552 59.487 59.018 -0.138 0.000 2.250 316 C CB -2.133 25.577 27.740 -0.050 0.000 1.219 316 C HN 0.723 nan 8.230 nan 0.000 0.723 317 D N -0.747 119.615 120.400 -0.064 0.000 2.433 317 D HA 0.182 4.822 4.640 -0.000 0.000 0.211 317 D C 0.908 177.385 176.300 0.295 0.000 1.114 317 D CA 0.035 54.198 54.000 0.271 0.000 0.837 317 D CB -0.352 40.607 40.800 0.265 0.000 0.984 317 D HN 0.601 nan 8.370 nan 0.000 0.505 318 F N 0.461 120.447 119.950 0.061 0.000 2.953 318 F HA -0.223 4.304 4.527 -0.000 0.000 0.292 318 F C -0.161 175.677 175.800 0.063 0.000 0.747 318 F CA 0.509 58.534 58.000 0.041 0.000 1.222 318 F CB -2.182 36.840 39.000 0.037 0.000 1.457 318 F HN -0.003 nan 8.300 nan 0.000 0.383 319 E N -0.213 120.033 120.200 0.076 0.000 2.174 319 E HA 0.225 4.575 4.350 -0.000 0.000 0.282 319 E C -0.419 176.252 176.600 0.119 0.000 0.992 319 E CA -0.875 55.629 56.400 0.173 0.000 0.803 319 E CB 0.605 30.409 29.700 0.173 0.000 1.090 319 E HN 0.203 nan 8.360 nan 0.000 0.396 320 W N 2.400 123.875 121.300 0.292 0.000 2.253 320 W HA -0.000 4.660 4.660 -0.000 0.000 0.322 320 W C 0.719 177.402 176.519 0.274 0.000 1.342 320 W CA -0.027 57.529 57.345 0.352 0.000 1.218 320 W CB 0.352 29.995 29.460 0.304 0.000 1.205 320 W HN 0.399 nan 8.180 nan 0.000 0.551 321 D N 5.111 125.828 120.400 0.528 0.000 2.349 321 D HA 0.019 4.659 4.640 -0.000 0.000 0.266 321 D C -1.445 175.080 176.300 0.376 0.000 1.293 321 D CA -1.623 52.606 54.000 0.382 0.000 0.926 321 D CB 1.190 42.209 40.800 0.365 0.000 1.090 321 D HN 0.051 nan 8.370 nan 0.000 0.502 322 P HA -0.126 nan 4.420 nan 0.000 0.218 322 P C 1.355 178.736 177.300 0.136 0.000 1.148 322 P CA 0.538 63.757 63.100 0.197 0.000 0.822 322 P CB 0.282 32.071 31.700 0.148 0.000 0.784 323 L N -1.750 119.539 121.223 0.109 0.000 2.478 323 L HA 0.017 4.357 4.340 -0.000 0.000 0.223 323 L C 1.657 178.533 176.870 0.010 0.000 1.140 323 L CA 1.771 56.644 54.840 0.055 0.000 0.842 323 L CB -1.683 40.402 42.059 0.044 0.000 0.953 323 L HN 0.074 nan 8.230 nan 0.000 0.452 324 T N -1.806 112.749 114.554 0.002 0.000 3.071 324 T HA 0.155 4.505 4.350 -0.000 0.000 0.239 324 T C 0.303 174.746 174.700 -0.428 0.000 0.997 324 T CA 0.226 62.176 62.100 -0.249 0.000 1.134 324 T CB 0.150 68.830 68.868 -0.313 0.000 0.928 324 T HN -0.020 nan 8.240 nan 0.000 0.453 325 F N 1.546 121.636 119.950 0.233 0.000 2.453 325 F HA 0.400 4.927 4.527 -0.000 0.000 0.358 325 F C -2.223 173.631 175.800 0.091 0.000 1.129 325 F CA -2.376 55.730 58.000 0.177 0.000 1.200 325 F CB 1.482 40.654 39.000 0.287 0.000 1.431 325 F HN -0.015 nan 8.300 nan 0.000 0.503 326 P HA -0.153 nan 4.420 nan 0.000 0.218 326 P C 0.162 177.486 177.300 0.040 0.000 1.149 326 P CA 1.433 64.587 63.100 0.091 0.000 0.817 326 P CB 0.285 32.016 31.700 0.051 0.000 0.785 327 D N -2.329 118.078 120.400 0.010 0.000 2.443 327 D HA 0.172 4.812 4.640 -0.000 0.000 0.281 327 D C -1.955 174.228 176.300 -0.194 0.000 1.210 327 D CA -2.275 51.678 54.000 -0.078 0.000 0.875 327 D CB 0.211 40.980 40.800 -0.053 0.000 1.125 327 D HN -0.130 nan 8.370 nan 0.000 0.503 328 P HA -0.162 nan 4.420 nan 0.000 0.214 328 P C 1.259 178.152 177.300 -0.678 0.000 1.163 328 P CA 0.928 63.463 63.100 -0.941 0.000 0.889 328 P CB 0.374 31.002 31.700 -1.786 0.000 0.790 329 E N -0.116 119.797 120.200 -0.478 0.000 2.058 329 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 329 E C 1.342 177.808 176.600 -0.222 0.000 0.997 329 E CA 0.924 57.139 56.400 -0.308 0.000 0.801 329 E CB -0.791 28.781 29.700 -0.213 0.000 0.746 329 E HN 0.137 nan 8.360 nan 0.000 0.450 333 R N 1.693 122.121 120.500 -0.120 0.000 2.096 333 R HA -0.037 4.303 4.340 -0.000 0.000 0.235 333 R C 2.119 178.360 176.300 -0.097 0.000 1.127 333 R CA 1.490 57.525 56.100 -0.108 0.000 0.968 333 R CB -0.164 30.074 30.300 -0.102 0.000 0.861 333 R HN 0.382 nan 8.270 nan 0.000 0.440 334 R N 0.566 121.013 120.500 -0.088 0.000 2.073 334 R HA -0.083 4.257 4.340 -0.000 0.000 0.234 334 R C 2.411 178.651 176.300 -0.099 0.000 1.134 334 R CA 1.210 57.259 56.100 -0.084 0.000 0.952 334 R CB -0.459 29.798 30.300 -0.071 0.000 0.850 334 R HN 0.196 nan 8.270 nan 0.000 0.433 335 L N 1.039 122.202 121.223 -0.100 0.000 2.042 335 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 335 L C 2.286 179.081 176.870 -0.125 0.000 1.076 335 L CA 1.537 56.303 54.840 -0.124 0.000 0.749 335 L CB -0.358 41.643 42.059 -0.097 0.000 0.893 335 L HN 0.179 nan 8.230 nan 0.000 0.432 336 K N -0.064 120.263 120.400 -0.120 0.000 2.283 336 K HA -0.051 4.269 4.320 -0.000 0.000 0.202 336 K C 2.029 178.552 176.600 -0.129 0.000 1.048 336 K CA 1.053 57.255 56.287 -0.141 0.000 0.948 336 K CB -0.142 32.269 32.500 -0.149 0.000 0.742 336 K HN 0.263 nan 8.250 nan 0.000 0.458 337 A N 1.628 124.380 122.820 -0.113 0.000 2.168 337 A HA -0.086 4.234 4.320 -0.000 0.000 0.215 337 A C 1.402 178.925 177.584 -0.102 0.000 1.152 337 A CA 0.989 52.965 52.037 -0.100 0.000 0.716 337 A CB -0.057 18.889 19.000 -0.089 0.000 0.794 337 A HN 0.154 nan 8.150 nan 0.000 0.465 338 K N -0.958 119.373 120.400 -0.114 0.000 2.446 338 K HA 0.280 4.600 4.320 -0.000 0.000 0.203 338 K C 0.826 177.353 176.600 -0.122 0.000 1.027 338 K CA 0.357 56.573 56.287 -0.118 0.000 1.166 338 K CB 0.073 32.493 32.500 -0.133 0.000 0.869 338 K HN 0.531 nan 8.250 nan 0.000 0.504 339 G N 1.370 110.097 108.800 -0.122 0.000 2.143 339 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.248 339 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.248 339 G C -0.262 174.553 174.900 -0.142 0.000 0.991 339 G CA -0.222 44.805 45.100 -0.122 0.000 0.689 339 G HN 0.084 nan 8.290 nan 0.000 0.522 340 L N 0.325 121.452 121.223 -0.160 0.000 2.325 340 L HA 0.619 4.959 4.340 -0.000 0.000 0.279 340 L C 0.599 177.317 176.870 -0.254 0.000 1.054 340 L CA -0.926 53.809 54.840 -0.175 0.000 0.804 340 L CB 1.372 43.353 42.059 -0.130 0.000 1.200 340 L HN -0.024 nan 8.230 nan 0.000 0.436 341 K N 2.759 122.948 120.400 -0.351 0.000 2.098 341 K HA 0.545 4.865 4.320 -0.000 0.000 0.261 341 K C -0.766 175.619 176.600 -0.358 0.000 0.987 341 K CA -0.640 55.323 56.287 -0.540 0.000 0.916 341 K CB 1.869 33.777 32.500 -0.987 0.000 1.039 341 K HN 0.292 nan 8.250 nan 0.000 0.455 342 I N 1.300 121.683 120.570 -0.312 0.000 2.433 342 I HA 0.234 4.404 4.170 -0.000 0.000 0.292 342 I C 0.002 176.006 176.117 -0.189 0.000 1.001 342 I CA -0.868 60.343 61.300 -0.149 0.000 1.119 342 I CB 1.308 39.286 38.000 -0.038 0.000 1.289 342 I HN 0.502 nan 8.210 nan 0.000 0.438 343 C N 7.634 126.869 119.300 -0.107 0.000 2.563 343 C HA 0.860 5.320 4.460 -0.000 0.000 0.314 343 C C -0.246 174.756 174.990 0.021 0.000 1.199 343 C CA -0.264 58.723 59.018 -0.052 0.000 1.564 343 C CB 0.845 28.639 27.740 0.091 0.000 2.173 343 C HN 0.679 nan 8.230 nan 0.000 0.485 344 V N 3.020 122.928 119.914 -0.010 0.000 2.914 344 V HA 0.715 4.835 4.120 -0.000 0.000 0.314 344 V C -0.777 175.497 176.094 0.299 0.000 1.084 344 V CA -0.847 61.397 62.300 -0.095 0.000 0.963 344 V CB 1.547 33.020 31.823 -0.584 0.000 1.025 344 V HN 1.090 nan 8.190 nan 0.000 0.432 345 W N 5.598 127.032 121.300 0.224 0.000 2.238 345 W HA 0.726 5.386 4.660 -0.000 0.000 0.321 345 W C -0.244 176.527 176.519 0.419 0.000 1.293 345 W CA 0.027 57.602 57.345 0.383 0.000 1.204 345 W CB 0.821 30.443 29.460 0.269 0.000 1.167 345 W HN 0.903 nan 8.180 nan 0.000 0.553 346 I N 4.025 124.309 120.570 -0.476 0.000 3.181 346 I HA 0.640 4.810 4.170 -0.000 0.000 0.311 346 I C -1.238 174.301 176.117 -0.963 0.000 1.287 346 I CA -1.195 59.804 61.300 -0.502 0.000 0.958 346 I CB 2.266 40.276 38.000 0.016 0.000 1.294 346 I HN 0.605 nan 8.210 nan 0.000 0.467 347 N N 1.505 119.894 118.700 -0.518 0.000 3.046 347 N HA 0.432 5.172 4.740 -0.000 0.000 0.243 347 N C -2.944 172.483 175.510 -0.138 0.000 1.452 347 N CA -1.523 51.304 53.050 -0.372 0.000 0.882 347 N CB 1.773 39.871 38.487 -0.648 0.000 1.425 347 N HN 0.452 nan 8.380 nan 0.000 0.517 348 P HA 0.224 nan 4.420 nan 0.000 0.253 348 P C -0.992 176.423 177.300 0.191 0.000 1.459 348 P CA 0.374 63.343 63.100 -0.218 0.000 0.908 348 P CB -0.397 30.970 31.700 -0.555 0.000 1.470 349 Y N -0.092 120.393 120.300 0.309 0.000 2.630 349 Y HA 0.634 5.184 4.550 -0.000 0.000 0.337 349 Y C 0.347 176.425 175.900 0.296 0.000 1.051 349 Y CA -2.518 55.728 58.100 0.244 0.000 1.121 349 Y CB 1.378 40.000 38.460 0.271 0.000 1.299 349 Y HN -0.244 nan 8.280 nan 0.000 0.498 350 I N 0.641 121.422 120.570 0.352 0.000 2.610 350 I HA 0.655 4.825 4.170 -0.000 0.000 0.289 350 I C -0.271 176.047 176.117 0.336 0.000 1.163 350 I CA -0.551 60.932 61.300 0.304 0.000 1.044 350 I CB 1.644 39.716 38.000 0.119 0.000 1.251 350 I HN 0.763 nan 8.210 nan 0.000 0.424 351 G N 4.475 113.428 108.800 0.256 0.000 2.432 351 G HA2 0.106 4.066 3.960 -0.000 0.000 0.257 351 G HA3 0.106 4.066 3.960 -0.000 0.000 0.257 351 G C 0.308 175.195 174.900 -0.021 0.000 1.238 351 G CA -0.234 44.923 45.100 0.095 0.000 0.838 351 G HN 0.856 nan 8.290 nan 0.000 0.547 352 Q N 1.190 120.741 119.800 -0.416 0.000 2.226 352 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 352 Q C 2.239 177.965 176.000 -0.457 0.000 0.975 352 Q CA 1.590 56.776 55.803 -1.029 0.000 0.866 352 Q CB -0.047 28.056 28.738 -1.059 0.000 0.915 352 Q HN 0.717 nan 8.270 nan 0.000 0.440 353 K N 0.382 120.644 120.400 -0.231 0.000 2.147 353 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 353 K C 0.664 177.256 176.600 -0.013 0.000 1.049 353 K CA 0.838 57.059 56.287 -0.109 0.000 0.936 353 K CB -0.177 32.290 32.500 -0.055 0.000 0.722 353 K HN 0.072 nan 8.250 nan 0.000 0.446 354 S N 1.294 117.021 115.700 0.045 0.000 2.575 354 S HA 0.030 4.500 4.470 -0.000 0.000 0.295 354 S C -1.883 172.812 174.600 0.157 0.000 1.267 354 S CA -1.186 57.090 58.200 0.126 0.000 1.074 354 S CB 0.774 64.091 63.200 0.196 0.000 0.829 354 S HN 0.109 nan 8.310 nan 0.000 0.497 355 P HA -0.074 nan 4.420 nan 0.000 0.222 355 P C 1.081 178.486 177.300 0.174 0.000 1.142 355 P CA 0.572 63.754 63.100 0.137 0.000 0.788 355 P CB 0.110 31.885 31.700 0.126 0.000 0.767 356 V N -2.026 118.022 119.914 0.222 0.000 3.052 356 V HA -0.118 4.002 4.120 -0.000 0.000 0.254 356 V C 1.906 178.099 176.094 0.164 0.000 1.100 356 V CA 0.730 63.175 62.300 0.242 0.000 1.112 356 V CB -1.153 30.899 31.823 0.382 0.000 0.738 356 V HN 0.039 nan 8.190 nan 0.000 0.469 357 F N 1.728 121.701 119.950 0.037 0.000 2.063 357 F HA -0.309 4.218 4.527 -0.000 0.000 0.298 357 F C 2.520 178.286 175.800 -0.057 0.000 1.109 357 F CA 2.546 60.528 58.000 -0.029 0.000 1.212 357 F CB -0.142 38.844 39.000 -0.024 0.000 0.973 357 F HN 0.014 nan 8.300 nan 0.000 0.480 358 K N 0.283 120.818 120.400 0.226 0.000 2.074 358 K HA -0.302 4.017 4.320 -0.000 0.000 0.209 358 K C 2.245 178.822 176.600 -0.038 0.000 1.048 358 K CA 2.027 58.377 56.287 0.106 0.000 0.926 358 K CB -0.443 32.119 32.500 0.105 0.000 0.713 358 K HN 0.499 nan 8.250 nan 0.000 0.444 359 E N 0.520 120.697 120.200 -0.038 0.000 2.051 359 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 359 E C 2.097 178.530 176.600 -0.278 0.000 0.991 359 E CA 1.220 57.562 56.400 -0.097 0.000 0.799 359 E CB -0.058 29.645 29.700 0.005 0.000 0.748 359 E HN 0.353 nan 8.360 nan 0.000 0.449 360 L N 0.581 121.581 121.223 -0.371 0.000 2.093 360 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 360 L C 2.904 179.482 176.870 -0.486 0.000 1.085 360 L CA 1.217 55.731 54.840 -0.543 0.000 0.755 360 L CB -0.503 41.213 42.059 -0.571 0.000 0.904 360 L HN 0.288 nan 8.230 nan 0.000 0.435 361 Q N 0.506 120.045 119.800 -0.434 0.000 2.050 361 Q HA -0.230 4.110 4.340 -0.000 0.000 0.202 361 Q C 2.038 177.907 176.000 -0.219 0.000 0.980 361 Q CA 1.682 57.293 55.803 -0.321 0.000 0.840 361 Q CB 0.072 28.671 28.738 -0.233 0.000 0.898 361 Q HN 0.527 nan 8.270 nan 0.000 0.424 362 E N 0.127 120.208 120.200 -0.198 0.000 2.153 362 E HA -0.166 4.184 4.350 -0.000 0.000 0.194 362 E C 1.692 178.172 176.600 -0.200 0.000 0.988 362 E CA 0.926 57.235 56.400 -0.151 0.000 0.811 362 E CB 0.094 29.727 29.700 -0.111 0.000 0.746 362 E HN 0.270 nan 8.360 nan 0.000 0.466 363 K N -0.422 119.756 120.400 -0.370 0.000 2.426 363 K HA 0.057 4.377 4.320 -0.000 0.000 0.193 363 K C 0.846 177.228 176.600 -0.363 0.000 1.028 363 K CA 0.445 56.423 56.287 -0.514 0.000 1.047 363 K CB 0.595 32.406 32.500 -1.149 0.000 0.821 363 K HN 0.196 nan 8.250 nan 0.000 0.513 364 G N 1.337 109.999 108.800 -0.231 0.000 2.225 364 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.264 364 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.264 364 G C 0.207 175.186 174.900 0.132 0.000 1.060 364 G CA 0.017 45.101 45.100 -0.026 0.000 0.833 364 G HN 0.537 nan 8.290 nan 0.000 0.498 365 Y N -0.928 119.283 120.300 -0.148 0.000 2.466 365 Y HA 0.374 4.924 4.550 -0.000 0.000 0.272 365 Y C 1.539 177.351 175.900 -0.145 0.000 1.169 365 Y CA -0.442 57.574 58.100 -0.141 0.000 1.285 365 Y CB 0.381 38.730 38.460 -0.186 0.000 1.078 365 Y HN 0.213 nan 8.280 nan 0.000 0.523 366 L N 0.945 122.134 121.223 -0.056 0.000 2.331 366 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 366 L C -0.377 176.433 176.870 -0.101 0.000 1.022 366 L CA -1.305 53.445 54.840 -0.151 0.000 0.812 366 L CB 1.479 43.360 42.059 -0.297 0.000 1.257 366 L HN -0.034 nan 8.230 nan 0.000 0.435 367 L N 3.308 124.443 121.223 -0.147 0.000 2.578 367 L HA 0.020 4.360 4.340 -0.000 0.000 0.279 367 L C -0.197 176.574 176.870 -0.166 0.000 1.227 367 L CA 0.896 55.576 54.840 -0.268 0.000 0.900 367 L CB -0.232 41.526 42.059 -0.500 0.000 1.144 367 L HN 0.498 nan 8.230 nan 0.000 0.496 368 K N 5.208 125.507 120.400 -0.168 0.000 2.221 368 K HA 0.565 4.885 4.320 -0.000 0.000 0.243 368 K C -0.405 176.150 176.600 -0.075 0.000 0.968 368 K CA -0.965 55.280 56.287 -0.070 0.000 0.846 368 K CB 1.641 34.122 32.500 -0.031 0.000 1.141 368 K HN 0.530 nan 8.250 nan 0.000 0.434 369 R N 0.943 121.445 120.500 0.004 0.000 2.577 369 R HA 0.111 4.451 4.340 -0.000 0.000 0.269 369 R C -1.757 174.539 176.300 -0.005 0.000 1.084 369 R CA -1.782 54.330 56.100 0.021 0.000 1.163 369 R CB 0.117 30.453 30.300 0.059 0.000 1.100 369 R HN 0.329 nan 8.270 nan 0.000 0.547 370 P HA -0.210 nan 4.420 nan 0.000 0.217 370 P C 0.246 177.548 177.300 0.004 0.000 1.148 370 P CA 1.415 64.516 63.100 0.001 0.000 0.834 370 P CB 0.090 31.796 31.700 0.010 0.000 0.783 371 D N -2.296 118.108 120.400 0.007 0.000 2.349 371 D HA 0.056 4.696 4.640 -0.000 0.000 0.224 371 D C 1.464 177.766 176.300 0.004 0.000 1.029 371 D CA 0.801 54.805 54.000 0.006 0.000 0.879 371 D CB -0.890 39.913 40.800 0.005 0.000 0.906 371 D HN 0.248 nan 8.370 nan 0.000 0.528 372 G N 0.052 108.854 108.800 0.004 0.000 2.195 372 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.246 372 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.246 372 G C 0.469 175.371 174.900 0.003 0.000 0.984 372 G CA 0.402 45.505 45.100 0.005 0.000 0.633 372 G HN 0.813 nan 8.290 nan 0.000 0.525 373 S N -0.068 115.633 115.700 0.002 0.000 2.624 373 S HA 0.738 5.208 4.470 -0.000 0.000 0.263 373 S C 0.261 174.863 174.600 0.004 0.000 1.287 373 S CA -0.605 57.595 58.200 -0.000 0.000 0.990 373 S CB 1.849 65.045 63.200 -0.005 0.000 0.950 373 S HN 0.759 nan 8.310 nan 0.000 0.561 374 L N 0.854 122.080 121.223 0.005 0.000 2.371 374 L HA 0.409 4.749 4.340 -0.000 0.000 0.272 374 L C -0.406 176.482 176.870 0.030 0.000 1.124 374 L CA -0.273 54.578 54.840 0.018 0.000 0.816 374 L CB 0.573 42.653 42.059 0.034 0.000 1.129 374 L HN 0.857 nan 8.230 nan 0.000 0.448 375 W N 5.239 126.468 121.300 -0.118 0.000 2.335 375 W HA 0.485 5.145 4.660 -0.000 0.000 0.306 375 W C -0.583 175.865 176.519 -0.118 0.000 1.216 375 W CA -0.110 57.148 57.345 -0.146 0.000 1.237 375 W CB 0.419 29.736 29.460 -0.239 0.000 1.243 375 W HN 0.489 nan 8.180 nan 0.000 0.493 376 Q N 5.407 124.739 119.800 -0.781 0.000 2.462 376 Q HA 0.440 4.780 4.340 -0.000 0.000 0.285 376 Q C -1.091 174.432 176.000 -0.794 0.000 1.035 376 Q CA -0.891 54.552 55.803 -0.600 0.000 0.799 376 Q CB 2.693 31.310 28.738 -0.201 0.000 1.452 376 Q HN 0.561 nan 8.270 nan 0.000 0.404 377 W N 0.162 121.102 121.300 -0.601 0.000 2.923 377 W HA 0.441 5.101 4.660 -0.000 0.000 0.373 377 W C -1.369 175.032 176.519 -0.195 0.000 1.205 377 W CA -0.873 56.225 57.345 -0.411 0.000 1.180 377 W CB -0.042 29.172 29.460 -0.411 0.000 1.477 377 W HN 0.543 nan 8.180 nan 0.000 0.581 378 D N 0.742 121.101 120.400 -0.069 0.000 2.368 378 D HA 0.058 4.697 4.640 -0.000 0.000 0.218 378 D C 0.122 176.246 176.300 -0.294 0.000 1.112 378 D CA 0.146 54.044 54.000 -0.169 0.000 0.834 378 D CB 0.551 41.253 40.800 -0.163 0.000 0.953 378 D HN -0.041 nan 8.370 nan 0.000 0.505 379 K N 0.552 120.533 120.400 -0.699 0.000 2.298 379 K HA -0.010 4.310 4.320 -0.000 0.000 0.280 379 K C 0.958 177.614 176.600 0.093 0.000 1.032 379 K CA -0.305 55.667 56.287 -0.524 0.000 0.958 379 K CB 1.554 33.334 32.500 -1.200 0.000 0.978 379 K HN 0.258 nan 8.250 nan 0.000 0.472 380 W N 0.873 122.186 121.300 0.022 0.000 0.542 380 W HA -0.374 4.286 4.660 -0.000 0.000 0.215 380 W C -0.488 176.118 176.519 0.146 0.000 0.917 380 W CA 1.618 59.074 57.345 0.186 0.000 0.358 380 W CB -0.610 29.028 29.460 0.297 0.000 1.905 380 W HN 0.614 nan 8.180 nan 0.000 1.157 381 Q N 0.807 120.611 119.800 0.007 0.000 2.372 381 Q HA 0.521 4.861 4.340 -0.000 0.000 0.273 381 Q C -2.445 173.509 176.000 -0.077 0.000 1.078 381 Q CA -1.737 53.988 55.803 -0.130 0.000 0.806 381 Q CB 1.966 30.709 28.738 0.008 0.000 1.332 381 Q HN -0.236 nan 8.270 nan 0.000 0.435 382 P HA 0.169 nan 4.420 nan 0.000 0.271 382 P C -0.023 177.161 177.300 -0.194 0.000 1.226 382 P CA 0.694 63.648 63.100 -0.244 0.000 0.765 382 P CB 0.710 32.151 31.700 -0.432 0.000 0.835 383 G N 2.991 111.699 108.800 -0.153 0.000 2.283 383 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.280 383 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.280 383 G C 0.054 174.916 174.900 -0.062 0.000 1.029 383 G CA -0.177 44.825 45.100 -0.163 0.000 0.840 383 G HN 0.610 nan 8.290 nan 0.000 0.505 384 L N -0.032 121.243 121.223 0.087 0.000 2.525 384 L HA 0.490 4.830 4.340 -0.000 0.000 0.278 384 L C 0.676 177.705 176.870 0.266 0.000 1.218 384 L CA 0.496 55.478 54.840 0.237 0.000 0.878 384 L CB 0.505 42.780 42.059 0.360 0.000 1.127 384 L HN 0.613 nan 8.230 nan 0.000 0.492 385 A N 6.208 129.214 122.820 0.310 0.000 2.430 385 A HA 0.778 5.098 4.320 -0.000 0.000 0.300 385 A C -0.881 176.765 177.584 0.103 0.000 1.124 385 A CA -0.761 51.404 52.037 0.214 0.000 0.766 385 A CB 1.228 20.310 19.000 0.137 0.000 1.328 385 A HN 0.684 nan 8.150 nan 0.000 0.424 386 I N 0.724 121.302 120.570 0.013 0.000 2.404 386 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 386 I C -1.103 174.946 176.117 -0.113 0.000 0.992 386 I CA -0.491 60.806 61.300 -0.005 0.000 1.149 386 I CB 1.386 39.309 38.000 -0.129 0.000 1.315 386 I HN 0.633 nan 8.210 nan 0.000 0.446 387 Y N 3.540 123.775 120.300 -0.110 0.000 2.544 387 Y HA -0.036 4.514 4.550 -0.000 0.000 0.330 387 Y C 0.837 176.529 175.900 -0.346 0.000 1.136 387 Y CA 0.127 58.041 58.100 -0.310 0.000 1.417 387 Y CB 0.226 38.324 38.460 -0.602 0.000 1.229 387 Y HN 0.450 nan 8.280 nan 0.000 0.532 388 D N 4.177 124.592 120.400 0.026 0.000 2.483 388 D HA 0.030 4.670 4.640 -0.000 0.000 0.220 388 D C -0.115 176.326 176.300 0.235 0.000 1.173 388 D CA -0.102 54.043 54.000 0.242 0.000 0.964 388 D CB -0.165 40.764 40.800 0.217 0.000 1.046 388 D HN 0.357 nan 8.370 nan 0.000 0.517 389 F N 1.561 121.668 119.950 0.263 0.000 2.772 389 F HA 0.009 4.536 4.527 -0.000 0.000 0.302 389 F C 2.294 178.107 175.800 0.021 0.000 1.225 389 F CA 0.320 58.326 58.000 0.010 0.000 1.429 389 F CB -0.373 38.502 39.000 -0.210 0.000 1.104 389 F HN 0.262 nan 8.300 nan 0.000 0.550 390 T N -1.164 113.578 114.554 0.314 0.000 3.040 390 T HA 0.019 4.369 4.350 -0.000 0.000 0.250 390 T C 0.655 175.500 174.700 0.241 0.000 1.058 390 T CA 0.067 62.331 62.100 0.274 0.000 0.988 390 T CB -0.271 68.824 68.868 0.378 0.000 0.993 390 T HN 0.010 nan 8.240 nan 0.000 0.519 391 N N 1.822 120.552 118.700 0.050 0.000 2.462 391 N HA 0.236 4.976 4.740 -0.000 0.000 0.242 391 N C -2.184 173.139 175.510 -0.312 0.000 1.010 391 N CA -2.039 50.733 53.050 -0.463 0.000 0.939 391 N CB 1.944 40.069 38.487 -0.603 0.000 1.127 391 N HN -0.031 nan 8.380 nan 0.000 0.509 392 P HA -0.173 nan 4.420 nan 0.000 0.217 392 P C 0.536 177.728 177.300 -0.181 0.000 1.162 392 P CA 1.413 64.437 63.100 -0.127 0.000 0.901 392 P CB 0.359 32.030 31.700 -0.049 0.000 0.793 393 D N -1.062 119.168 120.400 -0.284 0.000 2.178 393 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 393 D C 1.929 177.832 176.300 -0.662 0.000 0.980 393 D CA 1.486 55.281 54.000 -0.342 0.000 0.842 393 D CB -0.522 40.139 40.800 -0.231 0.000 0.948 393 D HN 0.133 nan 8.370 nan 0.000 0.472 394 A N 0.628 122.954 122.820 -0.823 0.000 1.930 394 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 394 A C 2.561 180.144 177.584 -0.002 0.000 1.175 394 A CA 0.971 52.637 52.037 -0.617 0.000 0.627 394 A CB -0.852 17.978 19.000 -0.283 0.000 0.815 394 A HN 0.308 nan 8.150 nan 0.000 0.443 395 C N -0.644 118.668 119.300 0.020 0.000 2.432 395 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 395 C C 2.719 177.744 174.990 0.059 0.000 1.249 395 C CA 1.419 60.486 59.018 0.081 0.000 1.725 395 C CB -0.942 26.785 27.740 -0.022 0.000 2.028 395 C HN 0.741 nan 8.230 nan 0.000 0.477 396 K N -0.760 119.644 120.400 0.007 0.000 2.057 396 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 396 K C 2.027 178.664 176.600 0.063 0.000 1.049 396 K CA 1.875 58.168 56.287 0.009 0.000 0.931 396 K CB -0.382 32.118 32.500 -0.000 0.000 0.714 396 K HN 0.678 nan 8.250 nan 0.000 0.440 397 W N 0.522 121.787 121.300 -0.057 0.000 2.335 397 W HA -0.292 4.368 4.660 -0.000 0.000 0.311 397 W C 1.980 178.487 176.519 -0.019 0.000 1.213 397 W CA 1.984 59.343 57.345 0.024 0.000 1.274 397 W CB -0.498 29.052 29.460 0.150 0.000 1.148 397 W HN 0.190 nan 8.180 nan 0.000 0.498 398 Y N 0.722 121.190 120.300 0.279 0.000 2.145 398 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 398 Y C 2.449 178.146 175.900 -0.339 0.000 1.145 398 Y CA 2.880 60.983 58.100 0.005 0.000 1.148 398 Y CB -0.988 37.568 38.460 0.160 0.000 0.981 398 Y HN 0.004 nan 8.280 nan 0.000 0.507 399 A N 0.034 122.828 122.820 -0.043 0.000 1.908 399 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 399 A C 1.881 179.285 177.584 -0.300 0.000 1.181 399 A CA 2.129 54.059 52.037 -0.179 0.000 0.627 399 A CB -0.894 18.036 19.000 -0.117 0.000 0.818 399 A HN 0.522 nan 8.150 nan 0.000 0.445 400 D N -0.567 119.652 120.400 -0.301 0.000 2.178 400 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 400 D C 1.872 177.895 176.300 -0.461 0.000 0.980 400 D CA 1.269 55.075 54.000 -0.324 0.000 0.842 400 D CB -0.152 40.475 40.800 -0.288 0.000 0.948 400 D HN 0.258 nan 8.370 nan 0.000 0.472 401 K N -0.026 119.931 120.400 -0.739 0.000 2.097 401 K HA -0.013 4.307 4.320 -0.000 0.000 0.205 401 K C 1.786 177.917 176.600 -0.781 0.000 1.050 401 K CA 0.245 55.978 56.287 -0.923 0.000 0.938 401 K CB -0.309 31.206 32.500 -1.643 0.000 0.718 401 K HN 0.034 nan 8.250 nan 0.000 0.442 402 L N 1.160 121.910 121.223 -0.789 0.000 2.056 402 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 402 L C 1.672 178.422 176.870 -0.200 0.000 1.078 402 L CA 1.745 56.250 54.840 -0.559 0.000 0.749 402 L CB -0.657 41.035 42.059 -0.612 0.000 0.901 402 L HN 0.119 nan 8.230 nan 0.000 0.433 403 K N -0.855 119.418 120.400 -0.212 0.000 2.147 403 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 403 K C 2.037 178.581 176.600 -0.093 0.000 1.049 403 K CA 1.095 57.312 56.287 -0.117 0.000 0.936 403 K CB -0.478 31.944 32.500 -0.131 0.000 0.722 403 K HN 0.437 nan 8.250 nan 0.000 0.446 404 G N 1.291 110.009 108.800 -0.138 0.000 2.408 404 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 404 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 404 G C 1.358 176.250 174.900 -0.014 0.000 1.150 404 G CA 0.330 45.379 45.100 -0.085 0.000 0.776 404 G HN 0.026 nan 8.290 nan 0.000 0.542 405 L N 0.711 121.948 121.223 0.023 0.000 2.093 405 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 405 L C 3.124 180.018 176.870 0.041 0.000 1.085 405 L CA 0.832 55.733 54.840 0.101 0.000 0.755 405 L CB -1.124 41.075 42.059 0.233 0.000 0.904 405 L HN 0.112 nan 8.230 nan 0.000 0.435 406 V N 0.083 120.026 119.914 0.048 0.000 2.343 406 V HA -0.133 3.987 4.120 -0.000 0.000 0.247 406 V C 1.852 177.910 176.094 -0.060 0.000 1.051 406 V CA 0.886 63.167 62.300 -0.032 0.000 1.036 406 V CB -0.928 30.885 31.823 -0.017 0.000 0.654 406 V HN 0.402 nan 8.190 nan 0.000 0.451 410 V N 1.888 121.700 119.914 -0.170 0.000 2.655 410 V HA 0.188 4.308 4.120 -0.000 0.000 0.300 410 V C 0.695 176.599 176.094 -0.316 0.000 1.044 410 V CA 0.582 62.734 62.300 -0.246 0.000 1.095 410 V CB 1.418 33.079 31.823 -0.270 0.000 0.952 410 V HN 0.245 nan 8.190 nan 0.000 0.485 411 D N 1.757 121.948 120.400 -0.349 0.000 2.380 411 D HA 0.158 4.798 4.640 -0.000 0.000 0.212 411 D C 0.361 176.488 176.300 -0.289 0.000 1.021 411 D CA 0.786 54.608 54.000 -0.295 0.000 0.884 411 D CB 0.825 41.422 40.800 -0.337 0.000 1.001 411 D HN 0.767 nan 8.370 nan 0.000 0.506 412 C N -1.208 117.815 119.300 -0.463 0.000 3.306 412 C HA 0.739 5.198 4.460 -0.000 0.000 0.335 412 C C -1.494 173.114 174.990 -0.637 0.000 1.382 412 C CA -1.338 57.428 59.018 -0.420 0.000 1.254 412 C CB 0.591 28.376 27.740 0.074 0.000 1.555 412 C HN -0.077 nan 8.230 nan 0.000 0.463 413 F N 0.631 120.634 119.950 0.090 0.000 2.563 413 F HA 0.688 5.215 4.527 -0.000 0.000 0.316 413 F C 0.122 175.969 175.800 0.079 0.000 1.076 413 F CA -0.673 57.372 58.000 0.075 0.000 0.921 413 F CB 1.718 40.735 39.000 0.030 0.000 1.209 413 F HN 0.720 nan 8.300 nan 0.000 0.462 414 K N 1.542 122.104 120.400 0.270 0.000 2.257 414 K HA 0.288 4.608 4.320 -0.000 0.000 0.270 414 K C -0.555 176.041 176.600 -0.006 0.000 1.098 414 K CA -0.281 56.063 56.287 0.094 0.000 0.943 414 K CB 0.103 32.628 32.500 0.041 0.000 1.316 414 K HN 0.649 nan 8.250 nan 0.000 0.447 415 T N 1.444 115.989 114.554 -0.016 0.000 2.978 415 T HA 0.038 4.388 4.350 -0.000 0.000 0.278 415 T C 0.579 175.297 174.700 0.030 0.000 0.945 415 T CA -0.659 61.412 62.100 -0.048 0.000 1.070 415 T CB 0.629 69.299 68.868 -0.331 0.000 0.948 415 T HN 0.515 nan 8.240 nan 0.000 0.617 416 D N 1.288 121.661 120.400 -0.044 0.000 2.162 416 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 416 D C 0.343 176.781 176.300 0.231 0.000 0.967 416 D CA 0.589 54.634 54.000 0.075 0.000 0.840 416 D CB 0.118 40.990 40.800 0.120 0.000 0.972 416 D HN 0.492 nan 8.370 nan 0.000 0.482 417 F N -1.310 118.615 119.950 -0.040 0.000 3.103 417 F HA 0.481 5.008 4.527 -0.000 0.000 0.165 417 F C 1.999 177.871 175.800 0.121 0.000 1.556 417 F CA 0.229 58.230 58.000 0.002 0.000 0.907 417 F CB -0.286 38.625 39.000 -0.148 0.000 1.988 417 F HN -0.032 nan 8.300 nan 0.000 0.364 418 G N -0.229 108.770 108.800 0.331 0.000 2.159 418 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.227 418 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.227 418 G C 0.707 175.782 174.900 0.290 0.000 0.986 418 G CA 0.548 45.852 45.100 0.339 0.000 0.651 418 G HN 0.411 nan 8.290 nan 0.000 0.523 419 E N 0.158 120.536 120.200 0.297 0.000 2.057 419 E HA 0.204 4.554 4.350 -0.000 0.000 0.190 419 E C 1.640 178.263 176.600 0.038 0.000 0.969 419 E CA 0.323 56.808 56.400 0.141 0.000 0.812 419 E CB -0.044 29.805 29.700 0.247 0.000 0.777 419 E HN 0.438 nan 8.360 nan 0.000 0.455 420 R N 1.613 122.252 120.500 0.231 0.000 3.247 420 R HA 0.105 4.445 4.340 -0.000 0.000 0.212 420 R C -0.548 175.708 176.300 -0.075 0.000 1.604 420 R CA 0.002 56.225 56.100 0.204 0.000 1.279 420 R CB -0.229 30.318 30.300 0.412 0.000 1.277 420 R HN 0.092 nan 8.270 nan 0.000 0.669 421 I N 4.629 125.118 120.570 -0.134 0.000 2.304 421 I HA 0.228 4.398 4.170 -0.000 0.000 0.291 421 I C -1.609 174.421 176.117 -0.146 0.000 1.018 421 I CA -3.379 57.759 61.300 -0.271 0.000 1.260 421 I CB 0.796 38.625 38.000 -0.285 0.000 1.390 421 I HN 0.165 nan 8.210 nan 0.000 0.475 422 P HA 0.168 nan 4.420 nan 0.000 0.272 422 P C 0.416 177.594 177.300 -0.203 0.000 1.240 422 P CA 0.020 62.815 63.100 -0.508 0.000 0.791 422 P CB 0.921 31.833 31.700 -1.312 0.000 0.978 423 T N -4.262 110.269 114.554 -0.038 0.000 2.985 423 T HA 0.034 4.384 4.350 -0.000 0.000 0.254 423 T C 0.479 175.197 174.700 0.030 0.000 1.021 423 T CA -0.105 62.047 62.100 0.087 0.000 0.957 423 T CB -0.487 68.505 68.868 0.206 0.000 1.047 423 T HN 0.383 nan 8.240 nan 0.000 0.511 424 D N 3.185 123.580 120.400 -0.008 0.000 2.994 424 D HA 0.312 4.952 4.640 -0.000 0.000 0.240 424 D C 0.530 176.816 176.300 -0.023 0.000 1.195 424 D CA -0.423 53.595 54.000 0.029 0.000 0.957 424 D CB -0.101 40.760 40.800 0.101 0.000 1.105 424 D HN 0.515 nan 8.370 nan 0.000 0.477 425 V N -3.310 116.535 119.914 -0.116 0.000 3.156 425 V HA 0.632 4.752 4.120 -0.000 0.000 0.310 425 V C -1.113 174.864 176.094 -0.196 0.000 1.234 425 V CA -1.299 60.862 62.300 -0.232 0.000 1.065 425 V CB 1.887 33.369 31.823 -0.568 0.000 1.088 425 V HN 0.094 nan 8.190 nan 0.000 0.451 426 Q N 0.156 119.801 119.800 -0.259 0.000 2.337 426 Q HA 0.437 4.777 4.340 -0.000 0.000 0.264 426 Q C -1.828 174.075 176.000 -0.161 0.000 1.007 426 Q CA -0.383 55.347 55.803 -0.123 0.000 0.727 426 Q CB 1.332 30.047 28.738 -0.039 0.000 1.256 426 Q HN 0.777 nan 8.270 nan 0.000 0.467 427 W N 3.168 124.505 121.300 0.062 0.000 2.170 427 W HA 0.120 4.780 4.660 -0.000 0.000 0.336 427 W C 1.124 177.730 176.519 0.146 0.000 1.283 427 W CA -0.432 56.981 57.345 0.113 0.000 1.224 427 W CB 0.311 29.844 29.460 0.121 0.000 1.132 427 W HN 0.727 nan 8.180 nan 0.000 0.571 428 F N 2.534 122.654 119.950 0.283 0.000 2.115 428 F HA -0.340 4.187 4.527 -0.000 0.000 0.300 428 F C 2.108 178.014 175.800 0.177 0.000 1.092 428 F CA 2.357 60.471 58.000 0.189 0.000 1.245 428 F CB -0.078 39.032 39.000 0.184 0.000 0.995 428 F HN 0.379 nan 8.300 nan 0.000 0.481 429 D N -0.777 119.826 120.400 0.338 0.000 2.325 429 D HA 0.128 4.768 4.640 -0.000 0.000 0.225 429 D C 1.551 177.921 176.300 0.117 0.000 1.096 429 D CA 0.629 54.731 54.000 0.170 0.000 0.844 429 D CB -0.667 40.280 40.800 0.245 0.000 0.925 429 D HN 0.418 nan 8.370 nan 0.000 0.513 430 G N 0.116 109.003 108.800 0.146 0.000 2.179 430 G HA2 -0.301 3.658 3.960 -0.000 0.000 0.257 430 G HA3 -0.301 3.658 3.960 -0.000 0.000 0.257 430 G C 0.329 175.319 174.900 0.149 0.000 1.010 430 G CA 0.405 45.583 45.100 0.129 0.000 0.736 430 G HN 0.431 nan 8.290 nan 0.000 0.513 431 S N -0.120 115.692 115.700 0.187 0.000 2.576 431 S HA 0.319 4.789 4.470 -0.000 0.000 0.272 431 S C 0.445 175.131 174.600 0.143 0.000 1.352 431 S CA 0.058 58.312 58.200 0.089 0.000 1.021 431 S CB 1.046 64.210 63.200 -0.060 0.000 0.887 431 S HN 0.477 nan 8.310 nan 0.000 0.542 432 D N 1.410 121.850 120.400 0.066 0.000 2.358 432 D HA 0.189 4.829 4.640 -0.000 0.000 0.258 432 D C -1.688 174.705 176.300 0.156 0.000 1.223 432 D CA -2.058 52.004 54.000 0.103 0.000 0.886 432 D CB 0.988 41.820 40.800 0.054 0.000 1.120 432 D HN 0.039 nan 8.370 nan 0.000 0.482 433 P HA -0.162 nan 4.420 nan 0.000 0.217 433 P C 1.200 178.682 177.300 0.303 0.000 1.148 433 P CA 1.014 64.337 63.100 0.371 0.000 0.828 433 P CB 0.298 32.181 31.700 0.305 0.000 0.783 434 Q N -0.252 119.699 119.800 0.252 0.000 2.167 434 Q HA -0.049 4.291 4.340 -0.000 0.000 0.202 434 Q C 0.875 177.060 176.000 0.308 0.000 0.970 434 Q CA 1.246 57.240 55.803 0.319 0.000 0.855 434 Q CB -0.346 28.522 28.738 0.217 0.000 0.911 434 Q HN 0.434 nan 8.270 nan 0.000 0.438 438 N N 0.249 118.881 118.700 -0.112 0.000 2.148 438 N HA -0.107 4.633 4.740 -0.000 0.000 0.186 438 N C 1.737 177.344 175.510 0.162 0.000 1.031 438 N CA 1.467 54.516 53.050 -0.002 0.000 0.848 438 N CB -0.645 37.959 38.487 0.195 0.000 1.005 438 N HN 0.498 nan 8.380 nan 0.000 0.427 439 H N -0.534 118.596 119.070 0.101 0.000 2.492 439 H HA -0.186 4.370 4.556 -0.000 0.000 0.296 439 H C 1.633 177.058 175.328 0.161 0.000 1.095 439 H CA 1.031 57.161 56.048 0.136 0.000 1.281 439 H CB 0.039 29.821 29.762 0.034 0.000 1.374 439 H HN 0.261 nan 8.280 nan 0.000 0.545 440 Y N 0.827 121.100 120.300 -0.045 0.000 2.256 440 Y HA -0.269 4.281 4.550 -0.000 0.000 0.288 440 Y C 2.560 178.504 175.900 0.073 0.000 1.155 440 Y CA 1.502 59.569 58.100 -0.055 0.000 1.203 440 Y CB -0.442 37.974 38.460 -0.072 0.000 0.980 440 Y HN 0.273 nan 8.280 nan 0.000 0.530 441 A N -0.560 122.417 122.820 0.262 0.000 1.908 441 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 441 A C 2.113 179.797 177.584 0.167 0.000 1.181 441 A CA 1.821 54.031 52.037 0.287 0.000 0.627 441 A CB -1.492 17.666 19.000 0.264 0.000 0.818 441 A HN 0.722 nan 8.150 nan 0.000 0.445 442 Y N 0.486 120.762 120.300 -0.040 0.000 2.109 442 Y HA -0.185 4.364 4.550 -0.000 0.000 0.285 442 Y C 2.123 177.902 175.900 -0.201 0.000 1.131 442 Y CA 1.714 59.762 58.100 -0.086 0.000 1.121 442 Y CB -0.165 38.174 38.460 -0.201 0.000 0.987 442 Y HN 0.217 nan 8.280 nan 0.000 0.495 443 I N 0.170 120.606 120.570 -0.223 0.000 2.194 443 I HA -0.347 3.823 4.170 -0.000 0.000 0.246 443 I C 2.364 178.222 176.117 -0.432 0.000 1.093 443 I CA 1.880 63.000 61.300 -0.300 0.000 1.355 443 I CB -1.757 36.078 38.000 -0.275 0.000 1.046 443 I HN 0.424 nan 8.210 nan 0.000 0.413 444 Y N 2.521 122.488 120.300 -0.556 0.000 2.114 444 Y HA -0.242 4.308 4.550 -0.000 0.000 0.284 444 Y C 2.271 177.870 175.900 -0.503 0.000 1.143 444 Y CA 2.059 59.798 58.100 -0.602 0.000 1.135 444 Y CB -1.003 37.285 38.460 -0.287 0.000 0.980 444 Y HN 0.230 nan 8.280 nan 0.000 0.499 445 N N 0.189 118.529 118.700 -0.600 0.000 2.331 445 N HA -0.115 4.625 4.740 -0.000 0.000 0.180 445 N C 1.846 176.868 175.510 -0.814 0.000 1.019 445 N CA 1.058 53.707 53.050 -0.668 0.000 0.881 445 N CB -0.222 38.056 38.487 -0.349 0.000 0.972 445 N HN 0.587 nan 8.380 nan 0.000 0.435 446 E N 0.515 120.143 120.200 -0.954 0.000 2.072 446 E HA -0.150 4.200 4.350 -0.000 0.000 0.191 446 E C 1.777 177.973 176.600 -0.674 0.000 0.985 446 E CA 0.547 56.230 56.400 -1.195 0.000 0.801 446 E CB 0.019 29.206 29.700 -0.855 0.000 0.750 446 E HN 0.214 nan 8.360 nan 0.000 0.452 447 L N 1.085 121.964 121.223 -0.573 0.000 1.989 447 L HA -0.156 4.184 4.340 -0.000 0.000 0.211 447 L C 2.362 179.015 176.870 -0.361 0.000 1.071 447 L CA 1.556 56.116 54.840 -0.467 0.000 0.749 447 L CB -0.960 40.693 42.059 -0.677 0.000 0.890 447 L HN 0.132 nan 8.230 nan 0.000 0.431 448 V N -0.656 119.031 119.914 -0.379 0.000 2.343 448 V HA -0.319 3.801 4.120 -0.000 0.000 0.247 448 V C 2.312 178.310 176.094 -0.159 0.000 1.051 448 V CA 1.987 64.136 62.300 -0.250 0.000 1.036 448 V CB -0.906 30.762 31.823 -0.257 0.000 0.654 448 V HN 0.676 nan 8.190 nan 0.000 0.451 449 W N 1.557 122.598 121.300 -0.431 0.000 2.358 449 W HA -0.178 4.482 4.660 -0.000 0.000 0.303 449 W C 2.064 178.425 176.519 -0.263 0.000 1.208 449 W CA 1.962 59.087 57.345 -0.367 0.000 1.274 449 W CB -0.500 28.547 29.460 -0.688 0.000 1.138 449 W HN 0.392 nan 8.180 nan 0.000 0.515 450 N N -0.039 118.582 118.700 -0.131 0.000 2.244 450 N HA -0.165 4.575 4.740 -0.000 0.000 0.183 450 N C 1.762 177.175 175.510 -0.161 0.000 1.016 450 N CA 1.290 54.271 53.050 -0.114 0.000 0.866 450 N CB -0.195 38.238 38.487 -0.089 0.000 0.980 450 N HN -0.113 nan 8.380 nan 0.000 0.430 451 V N 1.161 120.977 119.914 -0.165 0.000 2.295 451 V HA -0.193 3.927 4.120 -0.000 0.000 0.246 451 V C 2.122 178.141 176.094 -0.124 0.000 1.049 451 V CA 1.290 63.512 62.300 -0.130 0.000 1.024 451 V CB -0.330 31.419 31.823 -0.123 0.000 0.648 451 V HN 0.258 nan 8.190 nan 0.000 0.447 452 L N 0.160 121.285 121.223 -0.164 0.000 2.017 452 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 452 L C 2.424 179.135 176.870 -0.264 0.000 1.073 452 L CA 2.061 56.779 54.840 -0.204 0.000 0.745 452 L CB -1.062 40.812 42.059 -0.309 0.000 0.894 452 L HN 0.354 nan 8.230 nan 0.000 0.432 453 K N -0.562 119.621 120.400 -0.363 0.000 2.063 453 K HA -0.206 4.114 4.320 -0.000 0.000 0.208 453 K C 1.386 177.905 176.600 -0.135 0.000 1.048 453 K CA 1.839 57.968 56.287 -0.264 0.000 0.928 453 K CB -0.046 32.321 32.500 -0.222 0.000 0.713 453 K HN 0.262 nan 8.250 nan 0.000 0.442 454 D N -0.453 119.877 120.400 -0.117 0.000 2.317 454 D HA -0.067 4.573 4.640 -0.000 0.000 0.211 454 D C 1.642 177.899 176.300 -0.072 0.000 0.966 454 D CA 1.467 55.421 54.000 -0.077 0.000 0.876 454 D CB 0.366 41.124 40.800 -0.071 0.000 0.927 454 D HN 0.528 nan 8.370 nan 0.000 0.519 455 T N -3.051 111.453 114.554 -0.084 0.000 3.114 455 T HA 0.077 4.427 4.350 -0.000 0.000 0.240 455 T C 1.856 176.514 174.700 -0.070 0.000 0.983 455 T CA 0.084 62.142 62.100 -0.070 0.000 1.151 455 T CB -0.270 68.560 68.868 -0.064 0.000 0.974 455 T HN -0.066 nan 8.240 nan 0.000 0.442 456 V N 1.258 121.123 119.914 -0.083 0.000 3.471 456 V HA 0.539 4.659 4.120 -0.000 0.000 0.258 456 V C 1.315 177.376 176.094 -0.055 0.000 1.192 456 V CA 0.495 62.755 62.300 -0.067 0.000 1.116 456 V CB -0.620 31.163 31.823 -0.066 0.000 0.792 456 V HN 1.081 nan 8.190 nan 0.000 0.459 457 G N 0.505 109.258 108.800 -0.079 0.000 2.770 457 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 457 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 457 G C 0.168 175.012 174.900 -0.093 0.000 1.180 457 G CA 0.088 45.151 45.100 -0.061 0.000 0.767 457 G HN 0.220 nan 8.290 nan 0.000 0.646 458 E N 0.165 120.325 120.200 -0.066 0.000 2.130 458 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 458 E C 1.979 178.569 176.600 -0.017 0.000 0.998 458 E CA 1.974 58.342 56.400 -0.054 0.000 0.806 458 E CB 0.057 29.793 29.700 0.059 0.000 0.738 458 E HN 0.556 nan 8.360 nan 0.000 0.459 459 E N 0.313 120.528 120.200 0.025 0.000 2.418 459 E HA -0.140 4.210 4.350 -0.000 0.000 0.197 459 E C 1.055 177.682 176.600 0.044 0.000 1.026 459 E CA 0.831 57.268 56.400 0.062 0.000 0.862 459 E CB 0.167 29.916 29.700 0.082 0.000 0.799 459 E HN 0.228 nan 8.360 nan 0.000 0.518 460 E N -0.215 119.990 120.200 0.007 0.000 2.498 460 E HA 0.235 4.585 4.350 -0.000 0.000 0.203 460 E C -0.225 176.351 176.600 -0.040 0.000 1.013 460 E CA 0.303 56.743 56.400 0.068 0.000 0.927 460 E CB 0.643 30.413 29.700 0.116 0.000 1.012 460 E HN 0.250 nan 8.360 nan 0.000 0.482 461 A N 1.380 124.049 122.820 -0.253 0.000 2.450 461 A HA 0.426 4.746 4.320 -0.000 0.000 0.255 461 A C 0.129 177.499 177.584 -0.357 0.000 1.096 461 A CA -0.109 51.590 52.037 -0.563 0.000 0.778 461 A CB 0.322 18.464 19.000 -1.429 0.000 1.031 461 A HN -0.044 nan 8.150 nan 0.000 0.494 462 V N 2.519 122.340 119.914 -0.155 0.000 3.120 462 V HA 0.620 4.740 4.120 -0.000 0.000 0.303 462 V C -0.404 175.801 176.094 0.184 0.000 1.238 462 V CA -0.578 61.769 62.300 0.079 0.000 1.008 462 V CB 1.557 33.387 31.823 0.012 0.000 1.064 462 V HN 0.868 nan 8.190 nan 0.000 0.434 463 L N 1.555 122.908 121.223 0.217 0.000 2.397 463 L HA 0.671 5.011 4.340 -0.000 0.000 0.251 463 L C -1.722 175.246 176.870 0.163 0.000 1.064 463 L CA -0.494 54.461 54.840 0.192 0.000 0.859 463 L CB 2.762 44.904 42.059 0.139 0.000 1.468 463 L HN 0.542 nan 8.230 nan 0.000 0.411 464 F N 1.252 121.085 119.950 -0.195 0.000 2.691 464 F HA 0.577 5.104 4.527 -0.000 0.000 0.371 464 F C 0.171 175.834 175.800 -0.229 0.000 1.159 464 F CA -0.722 57.081 58.000 -0.328 0.000 1.174 464 F CB 1.359 40.052 39.000 -0.511 0.000 1.419 464 F HN 0.347 nan 8.300 nan 0.000 0.514 465 A N 3.584 126.290 122.820 -0.190 0.000 2.290 465 A HA 0.529 4.849 4.320 -0.000 0.000 0.310 465 A C 1.268 178.856 177.584 0.006 0.000 1.202 465 A CA -0.479 51.474 52.037 -0.140 0.000 0.837 465 A CB 0.876 19.695 19.000 -0.302 0.000 1.139 465 A HN 0.756 nan 8.150 nan 0.000 0.509 466 R N 1.377 121.927 120.500 0.084 0.000 2.156 466 R HA 0.099 4.439 4.340 -0.000 0.000 0.207 466 R C 0.500 176.841 176.300 0.070 0.000 1.040 466 R CA 0.943 57.085 56.100 0.070 0.000 1.013 466 R CB 0.174 30.469 30.300 -0.007 0.000 0.931 466 R HN 0.650 nan 8.270 nan 0.000 0.465 467 S N -0.885 114.911 115.700 0.159 0.000 2.638 467 S HA 0.764 5.234 4.470 -0.000 0.000 0.298 467 S C -1.209 173.551 174.600 0.267 0.000 1.111 467 S CA -0.330 58.007 58.200 0.229 0.000 1.027 467 S CB 1.819 65.183 63.200 0.274 0.000 1.064 467 S HN 0.393 nan 8.310 nan 0.000 0.525 468 A N 1.451 124.418 122.820 0.246 0.000 2.601 468 A HA 0.826 5.146 4.320 -0.000 0.000 0.291 468 A C -0.800 176.937 177.584 0.256 0.000 1.075 468 A CA -0.549 51.658 52.037 0.284 0.000 0.671 468 A CB 1.318 20.428 19.000 0.185 0.000 1.277 468 A HN 0.870 nan 8.150 nan 0.000 0.417 469 S N -0.993 114.899 115.700 0.319 0.000 2.615 469 S HA 0.568 5.038 4.470 -0.000 0.000 0.269 469 S C -0.931 173.792 174.600 0.204 0.000 1.161 469 S CA -0.214 58.155 58.200 0.282 0.000 0.817 469 S CB 1.279 64.679 63.200 0.335 0.000 1.131 469 S HN 1.607 nan 8.310 nan 0.000 0.467 470 V N 2.954 122.844 119.914 -0.039 0.000 2.625 470 V HA 0.326 4.446 4.120 -0.000 0.000 0.305 470 V C 1.830 177.749 176.094 -0.292 0.000 1.055 470 V CA 2.088 64.177 62.300 -0.352 0.000 1.209 470 V CB -0.185 30.942 31.823 -1.160 0.000 0.877 470 V HN 1.606 nan 8.190 nan 0.000 0.489 471 G N 4.132 112.729 108.800 -0.339 0.000 2.234 471 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.235 471 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.235 471 G C 0.914 175.676 174.900 -0.231 0.000 0.997 471 G CA 0.230 45.143 45.100 -0.311 0.000 0.623 471 G HN 1.489 nan 8.290 nan 0.000 0.514 472 A N 0.937 123.726 122.820 -0.052 0.000 2.239 472 A HA 0.233 4.553 4.320 -0.000 0.000 0.209 472 A C 2.181 179.557 177.584 -0.348 0.000 1.171 472 A CA 1.959 53.960 52.037 -0.060 0.000 0.768 472 A CB -0.318 18.903 19.000 0.368 0.000 0.790 472 A HN 0.878 nan 8.150 nan 0.000 0.478 473 Q N 0.595 119.859 119.800 -0.893 0.000 2.436 473 Q HA -0.092 4.248 4.340 -0.000 0.000 0.209 473 Q C 0.975 176.598 176.000 -0.629 0.000 0.965 473 Q CA 1.300 56.473 55.803 -1.050 0.000 0.910 473 Q CB -0.462 27.407 28.738 -1.447 0.000 0.980 473 Q HN 0.644 nan 8.270 nan 0.000 0.491 474 K N 0.335 120.197 120.400 -0.898 0.000 2.442 474 K HA 0.042 4.362 4.320 -0.000 0.000 0.198 474 K C -0.072 175.748 176.600 -1.301 0.000 1.042 474 K CA 0.511 56.162 56.287 -1.061 0.000 0.958 474 K CB 0.050 31.766 32.500 -1.307 0.000 0.766 474 K HN 0.224 nan 8.250 nan 0.000 0.474 475 F N 1.226 120.776 119.950 -0.665 0.000 2.438 475 F HA 0.277 4.804 4.527 -0.000 0.000 0.315 475 F C -2.327 173.247 175.800 -0.377 0.000 1.258 475 F CA -2.799 54.612 58.000 -0.981 0.000 1.180 475 F CB 0.451 39.058 39.000 -0.654 0.000 1.412 475 F HN -0.306 nan 8.300 nan 0.000 0.544 476 P HA -0.188 nan 4.420 nan 0.000 0.269 476 P C -0.260 177.001 177.300 -0.064 0.000 1.153 476 P CA 0.721 63.836 63.100 0.025 0.000 0.754 476 P CB 0.396 32.058 31.700 -0.062 0.000 0.758 477 V N 1.261 121.141 119.914 -0.057 0.000 3.556 477 V HA -0.211 3.909 4.120 -0.000 0.000 0.463 477 V C -0.249 175.615 176.094 -0.383 0.000 0.681 477 V CA 0.589 62.703 62.300 -0.311 0.000 1.957 477 V CB -2.165 29.242 31.823 -0.693 0.000 2.397 477 V HN 0.676 nan 8.190 nan 0.000 0.496 478 H N 2.975 121.955 119.070 -0.150 0.000 2.467 478 H HA 0.558 5.114 4.556 -0.000 0.000 0.326 478 H C -0.191 174.958 175.328 -0.299 0.000 1.094 478 H CA -0.148 55.832 56.048 -0.113 0.000 1.253 478 H CB 1.105 30.873 29.762 0.010 0.000 1.439 478 H HN 0.753 nan 8.280 nan 0.000 0.479 479 W N 3.818 124.824 121.300 -0.490 0.000 2.338 479 W HA 0.366 5.026 4.660 -0.000 0.000 0.307 479 W C 0.982 177.308 176.519 -0.321 0.000 1.167 479 W CA -0.783 56.180 57.345 -0.636 0.000 1.208 479 W CB 0.959 30.063 29.460 -0.593 0.000 1.228 479 W HN 0.770 nan 8.180 nan 0.000 0.499 480 G N 3.766 111.993 108.800 -0.954 0.000 2.708 480 G HA2 0.325 4.285 3.960 -0.000 0.000 0.210 480 G HA3 0.325 4.285 3.960 -0.000 0.000 0.210 480 G C 0.674 175.195 174.900 -0.632 0.000 1.141 480 G CA 0.533 45.409 45.100 -0.373 0.000 0.788 480 G HN 1.350 nan 8.290 nan 0.000 0.531 481 G N -0.378 107.291 108.800 -1.885 0.000 2.710 481 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.668 481 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.668 481 G C -1.081 173.280 174.900 -0.899 0.000 1.320 481 G CA -0.384 43.749 45.100 -1.611 0.000 0.860 481 G HN 0.347 nan 8.290 nan 0.000 0.538 482 D N -0.398 119.839 120.400 -0.272 0.000 2.264 482 D HA 0.538 5.178 4.640 -0.000 0.000 0.250 482 D C 0.369 176.694 176.300 0.041 0.000 1.113 482 D CA 0.066 54.090 54.000 0.040 0.000 0.871 482 D CB 1.061 41.968 40.800 0.179 0.000 1.167 482 D HN 0.637 nan 8.370 nan 0.000 0.447 483 C N 1.977 121.334 119.300 0.095 0.000 2.454 483 C HA 0.394 4.854 4.460 -0.000 0.000 0.336 483 C C -0.308 174.819 174.990 0.229 0.000 1.189 483 C CA -0.947 58.191 59.018 0.200 0.000 1.877 483 C CB 0.332 28.333 27.740 0.435 0.000 2.348 483 C HN 0.563 nan 8.230 nan 0.000 0.508 484 Y N 1.138 121.523 120.300 0.141 0.000 2.314 484 Y HA 0.438 4.988 4.550 -0.000 0.000 0.334 484 Y C 0.712 176.715 175.900 0.170 0.000 1.266 484 Y CA -0.461 57.707 58.100 0.114 0.000 1.391 484 Y CB 0.706 39.230 38.460 0.106 0.000 1.306 484 Y HN 0.771 nan 8.280 nan 0.000 0.558 485 A N 5.059 127.652 122.820 -0.378 0.000 3.077 485 A HA 0.260 4.580 4.320 -0.000 0.000 0.255 485 A C -0.746 176.774 177.584 -0.108 0.000 1.728 485 A CA -0.072 51.835 52.037 -0.216 0.000 1.383 485 A CB -1.921 16.888 19.000 -0.319 0.000 1.097 485 A HN 0.760 nan 8.150 nan 0.000 0.634 486 N N -2.636 116.152 118.700 0.146 0.000 2.774 486 N HA 0.452 5.192 4.740 -0.000 0.000 0.264 486 N C -0.019 175.579 175.510 0.146 0.000 1.415 486 N CA -0.813 52.280 53.050 0.072 0.000 0.815 486 N CB 0.338 38.919 38.487 0.157 0.000 1.514 486 N HN -0.074 nan 8.380 nan 0.000 0.523 487 Y N -0.251 120.187 120.300 0.230 0.000 2.200 487 Y HA 0.005 4.555 4.550 -0.000 0.000 0.290 487 Y C 1.693 177.679 175.900 0.143 0.000 1.137 487 Y CA 1.298 59.534 58.100 0.227 0.000 1.163 487 Y CB -0.363 38.256 38.460 0.264 0.000 0.988 487 Y HN 0.644 nan 8.280 nan 0.000 0.518 488 E N 0.029 120.390 120.200 0.268 0.000 2.118 488 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 488 E C 1.451 178.126 176.600 0.125 0.000 0.992 488 E CA 0.994 57.475 56.400 0.134 0.000 0.804 488 E CB -0.331 29.447 29.700 0.130 0.000 0.741 488 E HN 0.159 nan 8.360 nan 0.000 0.458 492 E N 0.547 120.783 120.200 0.060 0.000 2.085 492 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 492 E C 2.042 178.818 176.600 0.294 0.000 0.994 492 E CA 1.480 57.973 56.400 0.155 0.000 0.801 492 E CB -0.116 29.674 29.700 0.149 0.000 0.743 492 E HN 0.531 nan 8.360 nan 0.000 0.453 493 S N 0.647 116.536 115.700 0.315 0.000 2.359 493 S HA -0.171 4.299 4.470 -0.000 0.000 0.224 493 S C 1.955 176.776 174.600 0.368 0.000 1.035 493 S CA 1.014 59.505 58.200 0.485 0.000 1.018 493 S CB -0.203 63.368 63.200 0.619 0.000 0.876 493 S HN 0.191 nan 8.310 nan 0.000 0.448 494 L N 2.243 123.627 121.223 0.268 0.000 2.042 494 L HA -0.014 4.326 4.340 -0.000 0.000 0.210 494 L C 2.391 179.172 176.870 -0.148 0.000 1.076 494 L CA 1.808 56.690 54.840 0.069 0.000 0.749 494 L CB -0.854 41.173 42.059 -0.054 0.000 0.893 494 L HN 0.253 nan 8.230 nan 0.000 0.432 495 R N -0.513 119.947 120.500 -0.067 0.000 2.105 495 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 495 R C 2.192 178.344 176.300 -0.248 0.000 1.135 495 R CA 1.230 57.259 56.100 -0.117 0.000 0.967 495 R CB -1.076 29.196 30.300 -0.046 0.000 0.861 495 R HN 0.600 nan 8.270 nan 0.000 0.442 496 G N 0.435 109.100 108.800 -0.224 0.000 2.433 496 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 496 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 496 G C 1.541 175.979 174.900 -0.771 0.000 1.186 496 G CA 0.865 45.672 45.100 -0.488 0.000 0.779 496 G HN 0.457 nan 8.290 nan 0.000 0.543 497 G N 0.757 108.788 108.800 -1.282 0.000 2.418 497 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 497 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 497 G C 1.832 176.127 174.900 -1.008 0.000 1.158 497 G CA 0.771 44.579 45.100 -2.152 0.000 0.771 497 G HN 0.419 nan 8.290 nan 0.000 0.545 498 L N 0.624 121.462 121.223 -0.641 0.000 2.056 498 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 498 L C 3.166 179.849 176.870 -0.311 0.000 1.078 498 L CA 1.163 55.779 54.840 -0.374 0.000 0.749 498 L CB -0.334 41.586 42.059 -0.232 0.000 0.901 498 L HN 0.169 nan 8.230 nan 0.000 0.433 499 S N -0.164 115.333 115.700 -0.338 0.000 2.383 499 S HA -0.133 4.337 4.470 -0.000 0.000 0.227 499 S C 1.943 176.380 174.600 -0.272 0.000 1.026 499 S CA 1.038 59.078 58.200 -0.266 0.000 0.981 499 S CB -0.183 62.841 63.200 -0.294 0.000 0.818 499 S HN 0.339 nan 8.310 nan 0.000 0.472 500 I N 1.334 121.672 120.570 -0.386 0.000 2.394 500 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 500 I C 2.213 178.240 176.117 -0.149 0.000 1.136 500 I CA 0.969 62.071 61.300 -0.329 0.000 1.425 500 I CB -0.490 37.235 38.000 -0.458 0.000 1.079 500 I HN 0.374 nan 8.210 nan 0.000 0.425 501 G N 0.835 109.518 108.800 -0.194 0.000 2.402 501 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.216 501 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.216 501 G C 1.520 176.367 174.900 -0.088 0.000 1.162 501 G CA 0.321 45.348 45.100 -0.121 0.000 0.777 501 G HN 0.393 nan 8.290 nan 0.000 0.539 502 L N 1.147 122.309 121.223 -0.102 0.000 2.622 502 L HA 0.093 4.433 4.340 -0.000 0.000 0.233 502 L C 1.623 178.507 176.870 0.023 0.000 1.156 502 L CA 0.272 55.077 54.840 -0.058 0.000 0.866 502 L CB 0.296 42.314 42.059 -0.068 0.000 0.980 502 L HN 0.099 nan 8.230 nan 0.000 0.448 503 S N -0.849 114.860 115.700 0.016 0.000 2.663 503 S HA 0.359 4.829 4.470 -0.000 0.000 0.243 503 S C 1.245 175.855 174.600 0.017 0.000 1.009 503 S CA 0.415 58.654 58.200 0.066 0.000 0.988 503 S CB 1.111 64.356 63.200 0.074 0.000 0.896 503 S HN 0.545 nan 8.310 nan 0.000 0.502 504 G N 1.247 110.025 108.800 -0.037 0.000 2.195 504 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.224 504 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.224 504 G C -0.180 174.584 174.900 -0.227 0.000 0.990 504 G CA -0.604 44.447 45.100 -0.080 0.000 0.639 504 G HN 0.406 nan 8.290 nan 0.000 0.514 505 F N 1.395 121.235 119.950 -0.184 0.000 2.410 505 F HA 0.597 5.124 4.527 -0.000 0.000 0.349 505 F C 1.552 177.233 175.800 -0.198 0.000 1.117 505 F CA 0.145 58.027 58.000 -0.196 0.000 1.104 505 F CB 1.789 40.645 39.000 -0.240 0.000 1.122 505 F HN 0.011 nan 8.300 nan 0.000 0.483 506 G N 2.787 111.503 108.800 -0.139 0.000 2.683 506 G HA2 0.078 4.037 3.960 -0.000 0.000 0.213 506 G HA3 0.078 4.037 3.960 -0.000 0.000 0.213 506 G C -0.132 174.277 174.900 -0.819 0.000 1.142 506 G CA 0.301 45.111 45.100 -0.483 0.000 0.793 506 G HN 0.367 nan 8.290 nan 0.000 0.534 507 F N -2.278 117.751 119.950 0.132 0.000 2.588 507 F HA 0.681 5.208 4.527 -0.000 0.000 0.314 507 F C -1.028 174.900 175.800 0.214 0.000 1.069 507 F CA -1.486 56.600 58.000 0.143 0.000 0.931 507 F CB 2.115 41.125 39.000 0.016 0.000 1.260 507 F HN -0.003 nan 8.300 nan 0.000 0.465 508 W N 2.228 123.592 121.300 0.107 0.000 3.544 508 W HA 0.578 5.238 4.660 -0.000 0.000 0.326 508 W C -1.440 175.050 176.519 -0.048 0.000 1.137 508 W CA -0.885 56.443 57.345 -0.029 0.000 1.252 508 W CB 1.653 31.061 29.460 -0.086 0.000 1.302 508 W HN 0.583 nan 8.180 nan 0.000 0.467 509 S N 3.576 118.795 115.700 -0.801 0.000 2.664 509 S HA 0.922 5.392 4.470 -0.000 0.000 0.304 509 S C -0.797 173.192 174.600 -1.017 0.000 1.099 509 S CA -0.576 57.190 58.200 -0.724 0.000 1.003 509 S CB 2.066 64.734 63.200 -0.887 0.000 1.092 509 S HN 0.747 nan 8.310 nan 0.000 0.525 510 H N -1.893 116.711 119.070 -0.776 0.000 3.014 510 H HA 0.674 5.230 4.556 -0.000 0.000 0.337 510 H C -2.005 173.247 175.328 -0.127 0.000 1.320 510 H CA -1.179 54.499 56.048 -0.617 0.000 1.128 510 H CB 0.689 29.987 29.762 -0.772 0.000 1.862 510 H HN 0.435 nan 8.280 nan 0.000 0.536 511 D N 0.824 121.228 120.400 0.007 0.000 2.193 511 D HA 0.347 4.987 4.640 -0.000 0.000 0.249 511 D C 0.431 176.546 176.300 -0.307 0.000 1.034 511 D CA -0.341 53.655 54.000 -0.007 0.000 0.902 511 D CB 1.738 42.697 40.800 0.266 0.000 1.182 511 D HN 0.384 nan 8.370 nan 0.000 0.436 518 T N -0.510 113.989 114.554 -0.091 0.000 3.967 518 T HA -0.142 4.208 4.350 -0.000 0.000 0.366 518 T C -0.654 173.975 174.700 -0.118 0.000 0.759 518 T CA 0.866 62.916 62.100 -0.082 0.000 1.971 518 T CB -1.621 67.220 68.868 -0.045 0.000 1.806 518 T HN 0.684 nan 8.240 nan 0.000 0.825 519 A N 1.162 123.908 122.820 -0.124 0.000 2.301 519 A HA 0.717 5.037 4.320 -0.000 0.000 0.312 519 A C -1.884 175.639 177.584 -0.101 0.000 1.182 519 A CA -1.699 50.261 52.037 -0.128 0.000 0.826 519 A CB 0.451 19.400 19.000 -0.086 0.000 1.134 519 A HN 0.259 nan 8.150 nan 0.000 0.501 520 P HA 0.197 nan 4.420 nan 0.000 0.266 520 P C 1.004 178.252 177.300 -0.087 0.000 1.195 520 P CA 0.525 63.573 63.100 -0.087 0.000 0.768 520 P CB 0.836 32.451 31.700 -0.141 0.000 0.838 521 A N 3.369 126.199 122.820 0.017 0.000 1.917 521 A HA -0.265 4.055 4.320 -0.000 0.000 0.219 521 A C 1.996 179.618 177.584 0.063 0.000 1.182 521 A CA 1.966 54.015 52.037 0.021 0.000 0.633 521 A CB -1.566 17.431 19.000 -0.005 0.000 0.819 521 A HN 0.819 nan 8.150 nan 0.000 0.448 522 H N -1.012 118.100 119.070 0.070 0.000 2.353 522 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 522 H C 2.028 177.572 175.328 0.359 0.000 1.090 522 H CA 1.734 57.912 56.048 0.217 0.000 1.327 522 H CB -1.365 28.689 29.762 0.486 0.000 1.383 522 H HN 0.217 nan 8.280 nan 0.000 0.508 523 V N 1.337 121.066 119.914 -0.308 0.000 2.287 523 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 523 V C 2.596 178.803 176.094 0.189 0.000 1.053 523 V CA 2.106 64.270 62.300 -0.228 0.000 1.027 523 V CB -1.151 30.349 31.823 -0.539 0.000 0.646 523 V HN 0.379 nan 8.190 nan 0.000 0.447 524 Y N 1.080 121.395 120.300 0.025 0.000 2.165 524 Y HA -0.285 4.265 4.550 -0.000 0.000 0.286 524 Y C 2.520 178.527 175.900 0.177 0.000 1.155 524 Y CA 2.064 60.212 58.100 0.081 0.000 1.164 524 Y CB -0.148 38.301 38.460 -0.019 0.000 0.978 524 Y HN 0.177 nan 8.280 nan 0.000 0.513 525 K N -0.527 120.048 120.400 0.291 0.000 2.057 525 K HA -0.138 4.182 4.320 -0.000 0.000 0.206 525 K C 2.122 178.923 176.600 0.336 0.000 1.050 525 K CA 1.128 57.573 56.287 0.263 0.000 0.935 525 K CB -0.083 32.458 32.500 0.069 0.000 0.715 525 K HN 0.173 nan 8.250 nan 0.000 0.439 526 R N 0.326 121.082 120.500 0.427 0.000 2.096 526 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 526 R C 1.918 178.364 176.300 0.243 0.000 1.127 526 R CA 0.917 57.219 56.100 0.337 0.000 0.968 526 R CB -0.624 29.918 30.300 0.403 0.000 0.861 526 R HN 0.451 nan 8.270 nan 0.000 0.440 527 W N 1.047 122.407 121.300 0.100 0.000 2.374 527 W HA -0.165 4.495 4.660 -0.000 0.000 0.288 527 W C 1.960 178.468 176.519 -0.017 0.000 1.218 527 W CA 0.322 57.731 57.345 0.107 0.000 1.245 527 W CB -0.482 28.996 29.460 0.030 0.000 1.126 527 W HN 0.063 nan 8.180 nan 0.000 0.545 528 C N 0.124 119.493 119.300 0.115 0.000 2.413 528 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 528 C C 3.087 178.030 174.990 -0.079 0.000 1.236 528 C CA 1.781 60.796 59.018 -0.005 0.000 1.735 528 C CB -1.539 26.219 27.740 0.029 0.000 2.031 528 C HN 0.367 nan 8.230 nan 0.000 0.474 529 A N -0.218 122.417 122.820 -0.309 0.000 1.883 529 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 529 A C 2.059 179.544 177.584 -0.164 0.000 1.186 529 A CA 1.885 53.403 52.037 -0.865 0.000 0.624 529 A CB -0.982 17.500 19.000 -0.865 0.000 0.822 529 A HN 0.660 nan 8.150 nan 0.000 0.444 530 F N 0.736 120.634 119.950 -0.086 0.000 2.102 530 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 530 F C 2.348 178.321 175.800 0.288 0.000 1.105 530 F CA 1.192 59.272 58.000 0.133 0.000 1.239 530 F CB -0.384 38.671 39.000 0.093 0.000 0.991 530 F HN 0.291 nan 8.300 nan 0.000 0.474 531 G N 1.275 110.126 108.800 0.084 0.000 2.459 531 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 531 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 531 G C 1.460 176.366 174.900 0.010 0.000 1.183 531 G CA 0.898 45.878 45.100 -0.200 0.000 0.776 531 G HN 0.318 nan 8.290 nan 0.000 0.552 532 L N 0.105 121.387 121.223 0.097 0.000 2.217 532 L HA 0.210 4.550 4.340 -0.000 0.000 0.211 532 L C 2.106 179.120 176.870 0.240 0.000 1.107 532 L CA 0.779 55.728 54.840 0.182 0.000 0.783 532 L CB -0.717 41.488 42.059 0.243 0.000 0.919 532 L HN 0.218 nan 8.230 nan 0.000 0.442 533 L N -0.490 120.897 121.223 0.274 0.000 2.939 533 L HA 0.102 4.442 4.340 -0.000 0.000 0.239 533 L C 0.257 177.401 176.870 0.457 0.000 1.325 533 L CA -0.096 54.955 54.840 0.351 0.000 1.170 533 L CB -0.235 42.026 42.059 0.337 0.000 1.538 533 L HN 0.090 nan 8.230 nan 0.000 0.452 534 S N -1.996 113.925 115.700 0.369 0.000 2.704 534 S HA 0.248 4.718 4.470 -0.000 0.000 0.296 534 S C 0.827 175.612 174.600 0.309 0.000 1.138 534 S CA -0.382 58.034 58.200 0.359 0.000 0.875 534 S CB 2.026 65.453 63.200 0.379 0.000 1.151 534 S HN 0.202 nan 8.310 nan 0.000 0.500 535 S N 0.254 116.148 115.700 0.324 0.000 2.378 535 S HA -0.129 4.341 4.470 -0.000 0.000 0.221 535 S C 0.025 174.694 174.600 0.116 0.000 1.037 535 S CA 1.661 60.086 58.200 0.376 0.000 1.069 535 S CB -0.434 63.084 63.200 0.531 0.000 1.006 535 S HN 0.698 nan 8.310 nan 0.000 0.423 536 H N -0.270 118.815 119.070 0.024 0.000 2.572 536 H HA 0.669 5.225 4.556 -0.000 0.000 0.359 536 H C -0.875 174.426 175.328 -0.046 0.000 1.134 536 H CA -0.510 55.493 56.048 -0.075 0.000 1.187 536 H CB 1.984 31.577 29.762 -0.281 0.000 1.597 536 H HN 0.189 nan 8.280 nan 0.000 0.524 537 S N 2.497 118.261 115.700 0.107 0.000 2.521 537 S HA 0.571 5.041 4.470 -0.000 0.000 0.295 537 S C -0.634 174.046 174.600 0.133 0.000 1.098 537 S CA -1.057 57.177 58.200 0.056 0.000 0.999 537 S CB 2.134 65.386 63.200 0.087 0.000 1.034 537 S HN 0.520 nan 8.310 nan 0.000 0.483 538 R N 2.479 123.018 120.500 0.065 0.000 2.532 538 R HA 0.369 4.709 4.340 -0.000 0.000 0.297 538 R C -0.181 176.161 176.300 0.071 0.000 0.984 538 R CA -0.681 55.491 56.100 0.120 0.000 0.884 538 R CB 1.132 31.484 30.300 0.086 0.000 1.182 538 R HN 0.610 nan 8.270 nan 0.000 0.442 539 L N 2.501 123.797 121.223 0.122 0.000 2.084 539 L HA 0.173 4.513 4.340 -0.000 0.000 0.202 539 L C 0.141 177.146 176.870 0.226 0.000 1.074 539 L CA 1.888 56.815 54.840 0.145 0.000 0.757 539 L CB -0.922 41.255 42.059 0.197 0.000 0.918 539 L HN 0.938 nan 8.230 nan 0.000 0.444 554 E N 0.381 120.598 120.200 0.028 0.000 2.268 554 E HA -0.068 4.282 4.350 -0.000 0.000 0.195 554 E C 1.240 177.885 176.600 0.074 0.000 0.995 554 E CA 1.010 57.438 56.400 0.047 0.000 0.836 554 E CB 0.271 29.987 29.700 0.026 0.000 0.763 554 E HN 0.019 nan 8.360 nan 0.000 0.491 555 S N -0.175 115.567 115.700 0.070 0.000 2.419 555 S HA -0.159 4.311 4.470 -0.000 0.000 0.233 555 S C 1.959 176.680 174.600 0.201 0.000 1.016 555 S CA 0.925 59.223 58.200 0.164 0.000 0.974 555 S CB -0.233 63.053 63.200 0.143 0.000 0.786 555 S HN 0.469 nan 8.310 nan 0.000 0.492 556 C N 1.795 121.176 119.300 0.135 0.000 2.453 556 C HA -0.056 4.404 4.460 -0.000 0.000 0.277 556 C C 2.444 177.520 174.990 0.144 0.000 1.262 556 C CA 0.348 59.444 59.018 0.130 0.000 1.718 556 C CB -1.223 26.565 27.740 0.080 0.000 2.031 556 C HN 0.534 nan 8.230 nan 0.000 0.480 557 D N 0.799 121.277 120.400 0.130 0.000 2.123 557 D HA -0.115 4.525 4.640 -0.000 0.000 0.196 557 D C 2.158 178.578 176.300 0.199 0.000 0.992 557 D CA 1.114 55.195 54.000 0.136 0.000 0.833 557 D CB -0.515 40.347 40.800 0.105 0.000 0.954 557 D HN 0.284 nan 8.370 nan 0.000 0.455 558 V N 0.439 120.502 119.914 0.248 0.000 2.295 558 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 558 V C 2.648 179.020 176.094 0.464 0.000 1.049 558 V CA 1.024 63.559 62.300 0.392 0.000 1.024 558 V CB -0.486 31.585 31.823 0.414 0.000 0.648 558 V HN 0.063 nan 8.190 nan 0.000 0.447 559 V N -0.011 120.108 119.914 0.342 0.000 2.332 559 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 559 V C 2.592 178.840 176.094 0.257 0.000 1.055 559 V CA 2.528 65.008 62.300 0.301 0.000 1.038 559 V CB -0.758 31.212 31.823 0.244 0.000 0.651 559 V HN 0.499 nan 8.190 nan 0.000 0.450 560 R N -0.789 119.832 120.500 0.200 0.000 2.070 560 R HA -0.208 4.132 4.340 -0.000 0.000 0.233 560 R C 2.323 178.681 176.300 0.098 0.000 1.137 560 R CA 2.203 58.381 56.100 0.131 0.000 0.945 560 R CB -0.483 29.877 30.300 0.099 0.000 0.845 560 R HN 0.463 nan 8.270 nan 0.000 0.430 561 F N 0.497 120.418 119.950 -0.048 0.000 2.091 561 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 561 F C 1.627 177.228 175.800 -0.332 0.000 1.103 561 F CA 1.733 59.584 58.000 -0.248 0.000 1.228 561 F CB -0.352 38.408 39.000 -0.399 0.000 0.984 561 F HN -0.009 nan 8.300 nan 0.000 0.477 562 F N -0.021 119.996 119.950 0.112 0.000 2.367 562 F HA -0.080 4.447 4.527 -0.000 0.000 0.298 562 F C 2.467 178.257 175.800 -0.017 0.000 1.094 562 F CA 1.482 59.491 58.000 0.015 0.000 1.409 562 F CB -1.236 37.883 39.000 0.198 0.000 1.064 562 F HN -0.123 nan 8.300 nan 0.000 0.528 563 T N -0.741 113.918 114.554 0.174 0.000 2.812 563 T HA -0.179 4.171 4.350 -0.000 0.000 0.264 563 T C 1.920 176.657 174.700 0.060 0.000 1.042 563 T CA 1.223 63.419 62.100 0.160 0.000 1.140 563 T CB -0.251 68.729 68.868 0.187 0.000 0.870 563 T HN 0.289 nan 8.240 nan 0.000 0.445 564 Q N 0.195 119.961 119.800 -0.058 0.000 2.124 564 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 564 Q C 2.308 178.187 176.000 -0.201 0.000 0.977 564 Q CA 0.995 56.718 55.803 -0.134 0.000 0.850 564 Q CB -0.311 28.297 28.738 -0.216 0.000 0.901 564 Q HN 0.324 nan 8.270 nan 0.000 0.429 565 L N 1.213 122.232 121.223 -0.339 0.000 2.027 565 L HA -0.177 4.163 4.340 -0.000 0.000 0.206 565 L C 2.240 179.068 176.870 -0.069 0.000 1.074 565 L CA 1.866 56.510 54.840 -0.327 0.000 0.745 565 L CB -0.378 41.380 42.059 -0.502 0.000 0.898 565 L HN -0.001 nan 8.230 nan 0.000 0.433 566 K N -1.120 119.299 120.400 0.032 0.000 2.063 566 K HA -0.211 4.108 4.320 -0.000 0.000 0.208 566 K C 2.117 178.782 176.600 0.109 0.000 1.048 566 K CA 1.970 58.326 56.287 0.114 0.000 0.928 566 K CB -0.385 32.215 32.500 0.168 0.000 0.713 566 K HN 0.528 nan 8.250 nan 0.000 0.442 567 C N 0.912 120.269 119.300 0.095 0.000 2.425 567 C HA -0.014 4.446 4.460 -0.000 0.000 0.277 567 C C 1.606 176.714 174.990 0.196 0.000 1.280 567 C CA 0.098 59.203 59.018 0.146 0.000 1.744 567 C CB -0.923 26.869 27.740 0.088 0.000 1.989 567 C HN 0.431 nan 8.230 nan 0.000 0.491 572 Y N 1.271 121.417 120.300 -0.257 0.000 2.231 572 Y HA 0.138 4.688 4.550 -0.000 0.000 0.294 572 Y C 1.808 177.612 175.900 -0.160 0.000 1.120 572 Y CA 1.246 59.260 58.100 -0.144 0.000 1.141 572 Y CB -0.623 37.797 38.460 -0.067 0.000 1.022 572 Y HN -0.144 nan 8.280 nan 0.000 0.523 573 L N -0.809 120.167 121.223 -0.410 0.000 2.012 573 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 573 L C 2.323 178.913 176.870 -0.467 0.000 1.073 573 L CA 2.117 56.682 54.840 -0.459 0.000 0.748 573 L CB -0.890 41.054 42.059 -0.192 0.000 0.891 573 L HN 0.288 nan 8.230 nan 0.000 0.431 574 Y N 0.428 120.316 120.300 -0.687 0.000 2.293 574 Y HA -0.275 4.275 4.550 -0.000 0.000 0.291 574 Y C 2.809 178.452 175.900 -0.430 0.000 1.137 574 Y CA 1.340 59.019 58.100 -0.702 0.000 1.202 574 Y CB 0.024 37.867 38.460 -1.028 0.000 0.990 574 Y HN 0.042 nan 8.280 nan 0.000 0.537 575 R N 0.887 121.191 120.500 -0.327 0.000 2.075 575 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 575 R C 1.818 177.966 176.300 -0.253 0.000 1.126 575 R CA 1.944 57.913 56.100 -0.218 0.000 0.963 575 R CB -0.468 29.753 30.300 -0.132 0.000 0.858 575 R HN 0.194 nan 8.270 nan 0.000 0.435 576 E N 0.373 120.363 120.200 -0.350 0.000 2.153 576 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 576 E C 1.852 178.332 176.600 -0.200 0.000 0.988 576 E CA 1.384 57.606 56.400 -0.297 0.000 0.811 576 E CB -0.447 28.999 29.700 -0.423 0.000 0.746 576 E HN 0.479 nan 8.360 nan 0.000 0.466 577 A N 1.205 123.903 122.820 -0.204 0.000 2.015 577 A HA -0.019 4.301 4.320 -0.000 0.000 0.219 577 A C 2.338 179.914 177.584 -0.014 0.000 1.163 577 A CA 1.680 53.733 52.037 0.026 0.000 0.646 577 A CB -0.352 18.621 19.000 -0.045 0.000 0.806 577 A HN 0.246 nan 8.150 nan 0.000 0.448 578 A N -0.533 122.171 122.820 -0.194 0.000 2.014 578 A HA -0.032 4.288 4.320 -0.000 0.000 0.218 578 A C 2.171 179.715 177.584 -0.065 0.000 1.163 578 A CA 1.098 53.064 52.037 -0.117 0.000 0.652 578 A CB -0.364 18.564 19.000 -0.121 0.000 0.808 578 A HN 0.519 nan 8.150 nan 0.000 0.449 579 R N -0.426 120.019 120.500 -0.092 0.000 2.081 579 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 579 R C 2.497 178.742 176.300 -0.092 0.000 1.131 579 R CA 1.229 57.276 56.100 -0.088 0.000 0.960 579 R CB -0.410 29.828 30.300 -0.104 0.000 0.856 579 R HN 0.506 nan 8.270 nan 0.000 0.436 580 A N 1.532 124.282 122.820 -0.116 0.000 1.883 580 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 580 A C 1.958 179.499 177.584 -0.071 0.000 1.186 580 A CA 1.784 53.719 52.037 -0.170 0.000 0.624 580 A CB -0.842 17.903 19.000 -0.425 0.000 0.822 580 A HN 0.443 nan 8.150 nan 0.000 0.444 581 N N 0.191 118.906 118.700 0.025 0.000 2.188 581 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 581 N C 1.858 177.354 175.510 -0.023 0.000 1.018 581 N CA 1.532 54.600 53.050 0.030 0.000 0.858 581 N CB -0.200 38.329 38.487 0.069 0.000 0.989 581 N HN 0.375 nan 8.380 nan 0.000 0.426 582 A N 0.842 123.643 122.820 -0.031 0.000 1.903 582 A HA 0.083 4.403 4.320 -0.000 0.000 0.213 582 A C 2.046 179.597 177.584 -0.055 0.000 1.185 582 A CA 0.700 52.714 52.037 -0.038 0.000 0.628 582 A CB 0.040 19.020 19.000 -0.032 0.000 0.830 582 A HN 0.203 nan 8.150 nan 0.000 0.446 583 R N -1.868 118.592 120.500 -0.067 0.000 2.404 583 R HA 0.221 4.561 4.340 -0.000 0.000 0.237 583 R C 1.081 177.326 176.300 -0.091 0.000 0.907 583 R CA 0.738 56.794 56.100 -0.073 0.000 1.063 583 R CB 0.009 30.268 30.300 -0.068 0.000 1.134 583 R HN 0.832 nan 8.270 nan 0.000 0.529 584 G N 1.577 110.311 108.800 -0.109 0.000 2.143 584 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 584 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 584 G C -0.028 174.787 174.900 -0.142 0.000 0.991 584 G CA 0.611 45.630 45.100 -0.136 0.000 0.689 584 G HN 0.224 nan 8.290 nan 0.000 0.522 585 T N 3.802 118.273 114.554 -0.138 0.000 2.776 585 T HA 0.473 4.823 4.350 -0.000 0.000 0.292 585 T C -1.051 173.538 174.700 -0.185 0.000 0.921 585 T CA -0.321 61.696 62.100 -0.137 0.000 1.038 585 T CB 1.756 70.556 68.868 -0.114 0.000 0.910 585 T HN 0.386 nan 8.240 nan 0.000 0.536 595 F N 1.087 121.045 119.950 0.014 0.000 2.622 595 F HA 0.424 4.951 4.527 -0.000 0.000 0.338 595 F C -1.976 173.824 175.800 0.000 0.000 1.334 595 F CA -1.684 56.336 58.000 0.033 0.000 1.179 595 F CB 1.507 40.558 39.000 0.085 0.000 1.471 595 F HN -0.082 nan 8.300 nan 0.000 0.576 596 P HA -0.138 nan 4.420 nan 0.000 0.218 596 P C 1.080 178.411 177.300 0.052 0.000 1.149 596 P CA 1.375 64.485 63.100 0.018 0.000 0.817 596 P CB 0.396 32.083 31.700 -0.023 0.000 0.785 597 D N -1.024 119.429 120.400 0.087 0.000 2.317 597 D HA -0.066 4.574 4.640 -0.000 0.000 0.211 597 D C 0.329 176.686 176.300 0.096 0.000 0.966 597 D CA 0.749 54.800 54.000 0.085 0.000 0.876 597 D CB -0.090 40.764 40.800 0.090 0.000 0.927 597 D HN 0.174 nan 8.370 nan 0.000 0.519 598 D N 0.555 121.034 120.400 0.132 0.000 2.325 598 D HA 0.059 4.699 4.640 -0.000 0.000 0.251 598 D C -1.631 174.691 176.300 0.037 0.000 1.196 598 D CA -2.007 52.055 54.000 0.104 0.000 0.866 598 D CB 1.968 42.858 40.800 0.149 0.000 1.101 598 D HN -0.090 nan 8.370 nan 0.000 0.476 599 P HA -0.074 nan 4.420 nan 0.000 0.217 599 P C 0.870 178.143 177.300 -0.045 0.000 1.150 599 P CA 0.974 64.075 63.100 0.002 0.000 0.832 599 P CB 0.195 31.904 31.700 0.015 0.000 0.787 600 A N -1.468 121.262 122.820 -0.150 0.000 2.216 600 A HA -0.138 4.182 4.320 -0.000 0.000 0.214 600 A C 1.882 179.224 177.584 -0.402 0.000 1.160 600 A CA 1.156 52.970 52.037 -0.371 0.000 0.725 600 A CB -1.545 16.925 19.000 -0.884 0.000 0.784 600 A HN 0.258 nan 8.150 nan 0.000 0.472 601 C N -0.602 118.576 119.300 -0.203 0.000 2.926 601 C HA 0.108 4.568 4.460 -0.000 0.000 0.272 601 C C 1.680 176.654 174.990 -0.027 0.000 1.249 601 C CA -0.151 58.809 59.018 -0.098 0.000 1.691 601 C CB -0.696 27.051 27.740 0.012 0.000 1.983 601 C HN 0.569 nan 8.230 nan 0.000 0.615 602 D N 1.232 121.606 120.400 -0.042 0.000 2.116 602 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 602 D C 1.032 177.185 176.300 -0.246 0.000 0.998 602 D CA 1.773 55.684 54.000 -0.148 0.000 0.836 602 D CB -0.212 40.401 40.800 -0.312 0.000 0.951 602 D HN 0.587 nan 8.370 nan 0.000 0.449 603 Y N -0.164 120.181 120.300 0.074 0.000 2.507 603 Y HA 0.293 4.843 4.550 -0.000 0.000 0.254 603 Y C 0.557 176.503 175.900 0.076 0.000 1.171 603 Y CA -0.447 57.692 58.100 0.065 0.000 1.238 603 Y CB 0.092 38.567 38.460 0.025 0.000 1.148 603 Y HN -0.200 nan 8.280 nan 0.000 0.525 604 L N 3.098 124.421 121.223 0.167 0.000 2.534 604 L HA -0.002 4.338 4.340 -0.000 0.000 0.271 604 L C 0.367 177.301 176.870 0.107 0.000 1.178 604 L CA 0.580 55.492 54.840 0.121 0.000 0.907 604 L CB 0.402 42.477 42.059 0.026 0.000 1.164 604 L HN 0.370 nan 8.230 nan 0.000 0.482 605 D N 1.785 122.248 120.400 0.105 0.000 2.530 605 D HA 0.007 4.647 4.640 -0.000 0.000 0.253 605 D C 0.945 177.274 176.300 0.049 0.000 1.338 605 D CA -0.255 53.785 54.000 0.065 0.000 0.806 605 D CB 0.337 41.164 40.800 0.045 0.000 1.160 605 D HN 0.407 nan 8.370 nan 0.000 0.514 606 R N 0.624 121.176 120.500 0.087 0.000 2.546 606 R HA 0.225 4.565 4.340 -0.000 0.000 0.320 606 R C 0.232 176.657 176.300 0.209 0.000 1.021 606 R CA 0.004 56.177 56.100 0.121 0.000 1.088 606 R CB 0.758 31.109 30.300 0.085 0.000 1.278 606 R HN 0.386 nan 8.270 nan 0.000 0.557 607 Q N -0.207 119.695 119.800 0.171 0.000 2.590 607 Q HA 0.438 4.778 4.340 -0.000 0.000 0.295 607 Q C -1.421 174.724 176.000 0.240 0.000 0.973 607 Q CA -1.138 54.739 55.803 0.123 0.000 0.768 607 Q CB 1.613 30.347 28.738 -0.007 0.000 1.479 607 Q HN 0.040 nan 8.270 nan 0.000 0.419 611 G N 2.450 111.335 108.800 0.142 0.000 2.760 611 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 611 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 611 G C 0.180 175.179 174.900 0.165 0.000 1.359 611 G CA 0.036 45.176 45.100 0.067 0.000 0.861 611 G HN 0.587 nan 8.290 nan 0.000 0.541 612 D N 0.463 120.958 120.400 0.158 0.000 2.149 612 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 612 D C 1.985 178.359 176.300 0.123 0.000 0.990 612 D CA 1.761 55.828 54.000 0.112 0.000 0.839 612 D CB -0.005 40.847 40.800 0.087 0.000 0.948 612 D HN 0.438 nan 8.370 nan 0.000 0.460 613 N N -0.396 118.408 118.700 0.174 0.000 2.171 613 N HA 0.072 4.812 4.740 -0.000 0.000 0.212 613 N C 0.007 175.516 175.510 -0.001 0.000 1.184 613 N CA 0.043 53.096 53.050 0.005 0.000 0.888 613 N CB 2.017 40.407 38.487 -0.160 0.000 1.038 613 N HN 0.019 nan 8.380 nan 0.000 0.517 617 A N 5.978 128.545 122.820 -0.422 0.000 2.483 617 A HA 0.907 5.227 4.320 -0.000 0.000 0.308 617 A C -2.901 174.536 177.584 -0.244 0.000 1.291 617 A CA -1.657 50.212 52.037 -0.281 0.000 0.774 617 A CB 1.106 19.916 19.000 -0.316 0.000 1.134 617 A HN 0.536 nan 8.150 nan 0.000 0.471 618 P HA 0.170 nan 4.420 nan 0.000 0.269 618 P C 0.105 177.080 177.300 -0.541 0.000 1.209 618 P CA 0.010 62.846 63.100 -0.440 0.000 0.776 618 P CB 1.022 32.282 31.700 -0.733 0.000 0.876 619 V N 3.319 122.960 119.914 -0.455 0.000 2.439 619 V HA 0.414 4.534 4.120 -0.000 0.000 0.282 619 V C -0.684 175.117 176.094 -0.489 0.000 1.039 619 V CA -0.199 61.923 62.300 -0.296 0.000 0.913 619 V CB 0.004 31.771 31.823 -0.093 0.000 0.983 619 V HN 0.320 nan 8.190 nan 0.000 0.460 620 F N 4.729 124.561 119.950 -0.197 0.000 2.975 620 F HA 0.488 5.015 4.527 -0.000 0.000 0.311 620 F C 0.808 176.042 175.800 -0.944 0.000 1.239 620 F CA 0.060 57.775 58.000 -0.475 0.000 1.282 620 F CB 0.444 39.301 39.000 -0.239 0.000 1.071 620 F HN 0.811 nan 8.300 nan 0.000 0.516 621 T N -4.906 109.263 114.554 -0.643 0.000 2.889 621 T HA 0.246 4.596 4.350 -0.000 0.000 0.315 621 T C 0.474 175.160 174.700 -0.025 0.000 1.291 621 T CA -0.764 61.094 62.100 -0.402 0.000 1.028 621 T CB 2.248 71.050 68.868 -0.111 0.000 1.235 621 T HN 0.199 nan 8.240 nan 0.000 0.491 622 E N 1.112 121.441 120.200 0.215 0.000 2.046 622 E HA 0.016 4.366 4.350 -0.000 0.000 0.190 622 E C 2.268 178.911 176.600 0.071 0.000 0.982 622 E CA 1.131 57.699 56.400 0.279 0.000 0.800 622 E CB -0.483 29.201 29.700 -0.027 0.000 0.756 622 E HN 0.794 nan 8.360 nan 0.000 0.449 623 A N 0.109 122.944 122.820 0.025 0.000 2.076 623 A HA -0.010 4.310 4.320 -0.000 0.000 0.220 623 A C 1.950 179.505 177.584 -0.049 0.000 1.160 623 A CA 1.595 53.625 52.037 -0.012 0.000 0.653 623 A CB -0.816 18.186 19.000 0.004 0.000 0.801 623 A HN 0.617 nan 8.150 nan 0.000 0.455 624 G N -1.053 107.721 108.800 -0.045 0.000 2.176 624 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.232 624 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.232 624 G C -0.380 174.547 174.900 0.045 0.000 0.986 624 G CA 0.168 45.248 45.100 -0.034 0.000 0.643 624 G HN 0.565 nan 8.290 nan 0.000 0.522 625 D N -0.131 120.292 120.400 0.037 0.000 2.424 625 D HA 0.502 5.142 4.640 -0.000 0.000 0.244 625 D C 0.210 176.579 176.300 0.115 0.000 1.134 625 D CA 0.637 54.680 54.000 0.073 0.000 0.881 625 D CB 2.259 43.087 40.800 0.046 0.000 1.191 625 D HN 0.589 nan 8.370 nan 0.000 0.445 626 V N 1.848 121.875 119.914 0.188 0.000 2.969 626 V HA 0.345 4.465 4.120 -0.000 0.000 0.304 626 V C -1.789 174.506 176.094 0.335 0.000 1.192 626 V CA -0.522 61.928 62.300 0.250 0.000 0.962 626 V CB 2.061 34.032 31.823 0.246 0.000 1.045 626 V HN 0.515 nan 8.190 nan 0.000 0.428 627 Q N 4.941 124.961 119.800 0.367 0.000 2.337 627 Q HA 0.725 5.065 4.340 -0.000 0.000 0.270 627 Q C -1.607 174.724 176.000 0.552 0.000 1.043 627 Q CA -0.452 55.588 55.803 0.396 0.000 0.794 627 Q CB 2.565 31.491 28.738 0.312 0.000 1.281 627 Q HN 0.725 nan 8.270 nan 0.000 0.446 628 F N -0.696 119.388 119.950 0.224 0.000 2.643 628 F HA 0.615 5.142 4.527 -0.000 0.000 0.314 628 F C -1.721 173.801 175.800 -0.463 0.000 1.096 628 F CA -1.434 56.480 58.000 -0.143 0.000 0.953 628 F CB 0.897 39.795 39.000 -0.169 0.000 1.345 628 F HN 0.446 nan 8.300 nan 0.000 0.468 629 Y N 2.248 121.978 120.300 -0.951 0.000 2.387 629 Y HA 0.776 5.326 4.550 -0.000 0.000 0.336 629 Y C -1.628 173.887 175.900 -0.641 0.000 1.067 629 Y CA -1.428 56.002 58.100 -1.117 0.000 1.114 629 Y CB 1.488 39.048 38.460 -1.501 0.000 1.208 629 Y HN 0.745 nan 8.280 nan 0.000 0.458 630 L N 8.542 128.894 121.223 -1.452 0.000 2.356 630 L HA 0.503 4.843 4.340 -0.000 0.000 0.277 630 L C -2.419 173.593 176.870 -1.429 0.000 0.996 630 L CA -2.156 51.879 54.840 -1.342 0.000 0.822 630 L CB 2.214 43.595 42.059 -1.130 0.000 1.256 630 L HN 0.545 nan 8.230 nan 0.000 0.413 631 P HA -0.012 nan 4.420 nan 0.000 0.271 631 P C -0.611 176.635 177.300 -0.090 0.000 1.244 631 P CA -0.418 62.363 63.100 -0.531 0.000 0.793 631 P CB 0.484 31.601 31.700 -0.972 0.000 0.984 632 E N 0.321 120.531 120.200 0.017 0.000 2.502 632 E HA 0.280 4.630 4.350 -0.000 0.000 0.261 632 E C 0.194 176.891 176.600 0.161 0.000 0.974 632 E CA 0.618 57.074 56.400 0.093 0.000 0.936 632 E CB -0.373 29.383 29.700 0.093 0.000 0.926 632 E HN 0.637 nan 8.360 nan 0.000 0.459 633 G N 2.954 111.832 108.800 0.130 0.000 2.347 633 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.477 633 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.477 633 G C -1.311 173.650 174.900 0.101 0.000 1.349 633 G CA -0.616 44.507 45.100 0.039 0.000 1.000 633 G HN 0.610 nan 8.290 nan 0.000 0.605 634 R N -0.212 120.277 120.500 -0.018 0.000 2.265 634 R HA 0.569 4.909 4.340 -0.000 0.000 0.328 634 R C -0.912 175.407 176.300 0.032 0.000 0.969 634 R CA -0.726 55.421 56.100 0.078 0.000 0.832 634 R CB 0.555 30.880 30.300 0.042 0.000 1.139 634 R HN 0.464 nan 8.270 nan 0.000 0.457 635 W N 2.142 123.449 121.300 0.012 0.000 2.448 635 W HA 0.386 5.046 4.660 -0.000 0.000 0.339 635 W C -0.110 176.545 176.519 0.227 0.000 1.124 635 W CA -0.367 57.029 57.345 0.085 0.000 1.262 635 W CB 1.891 31.376 29.460 0.042 0.000 1.251 635 W HN 0.328 nan 8.180 nan 0.000 0.597 636 T N 1.854 116.677 114.554 0.448 0.000 2.824 636 T HA 0.106 4.456 4.350 -0.000 0.000 0.282 636 T C -0.690 174.081 174.700 0.120 0.000 0.993 636 T CA -0.588 61.733 62.100 0.368 0.000 0.967 636 T CB 0.857 70.007 68.868 0.471 0.000 0.960 636 T HN 0.266 nan 8.240 nan 0.000 0.441 637 H N 3.425 122.377 119.070 -0.195 0.000 2.848 637 H HA 0.095 4.651 4.556 -0.000 0.000 0.317 637 H C 0.991 176.097 175.328 -0.370 0.000 1.046 637 H CA -0.556 55.039 56.048 -0.755 0.000 1.470 637 H CB 0.842 30.165 29.762 -0.732 0.000 1.483 637 H HN 0.495 nan 8.280 nan 0.000 0.548 638 L N 6.055 126.931 121.223 -0.578 0.000 2.064 638 L HA -0.237 4.103 4.340 -0.000 0.000 0.216 638 L C 1.660 178.648 176.870 0.197 0.000 1.077 638 L CA 2.555 57.319 54.840 -0.127 0.000 0.766 638 L CB -0.573 41.445 42.059 -0.068 0.000 0.890 638 L HN 0.864 nan 8.230 nan 0.000 0.435 639 W N -5.230 116.155 121.300 0.142 0.000 2.592 639 W HA 0.288 4.948 4.660 -0.000 0.000 0.306 639 W C 1.804 178.350 176.519 0.045 0.000 0.991 639 W CA -0.108 57.269 57.345 0.054 0.000 1.430 639 W CB -0.682 28.773 29.460 -0.010 0.000 1.017 639 W HN -0.041 nan 8.180 nan 0.000 0.557 640 H N 0.945 119.914 119.070 -0.168 0.000 2.497 640 H HA 0.061 4.617 4.556 -0.000 0.000 0.282 640 H C 0.768 176.073 175.328 -0.037 0.000 1.003 640 H CA 1.137 57.047 56.048 -0.230 0.000 1.307 640 H CB -0.251 29.110 29.762 -0.668 0.000 1.437 640 H HN 0.196 nan 8.280 nan 0.000 0.544 641 N N 1.212 120.002 118.700 0.149 0.000 2.828 641 N HA -0.160 4.580 4.740 -0.000 0.000 0.248 641 N C -0.733 174.874 175.510 0.162 0.000 1.044 641 N CA 0.931 54.082 53.050 0.169 0.000 0.851 641 N CB -0.916 37.659 38.487 0.146 0.000 1.136 641 N HN 0.655 nan 8.380 nan 0.000 0.572 642 D N -0.267 120.231 120.400 0.163 0.000 2.329 642 D HA 0.187 4.827 4.640 -0.000 0.000 0.246 642 D C -0.203 176.255 176.300 0.264 0.000 1.111 642 D CA 0.072 54.173 54.000 0.167 0.000 0.941 642 D CB 1.018 41.894 40.800 0.125 0.000 1.169 642 D HN 0.316 nan 8.370 nan 0.000 0.441 643 E N 0.202 120.527 120.200 0.208 0.000 2.244 643 E HA 0.631 4.981 4.350 -0.000 0.000 0.266 643 E C -0.631 176.048 176.600 0.131 0.000 0.914 643 E CA -0.910 55.623 56.400 0.222 0.000 0.794 643 E CB 2.465 32.262 29.700 0.162 0.000 1.210 643 E HN 0.353 nan 8.360 nan 0.000 0.414 644 L N 1.289 122.566 121.223 0.089 0.000 2.434 644 L HA 0.422 4.762 4.340 -0.000 0.000 0.260 644 L C -0.937 175.951 176.870 0.030 0.000 0.983 644 L CA -1.053 53.729 54.840 -0.097 0.000 0.820 644 L CB 2.243 43.977 42.059 -0.543 0.000 1.361 644 L HN 0.396 nan 8.230 nan 0.000 0.410 645 D N 1.179 121.615 120.400 0.061 0.000 2.177 645 D HA 0.397 5.037 4.640 -0.000 0.000 0.247 645 D C 0.177 176.545 176.300 0.113 0.000 1.063 645 D CA 0.011 54.081 54.000 0.117 0.000 0.867 645 D CB 2.456 43.307 40.800 0.086 0.000 1.168 645 D HN 0.666 nan 8.370 nan 0.000 0.445 646 G N -0.201 108.662 108.800 0.105 0.000 2.489 646 G HA2 0.261 4.221 3.960 -0.000 0.000 0.271 646 G HA3 0.261 4.221 3.960 -0.000 0.000 0.271 646 G C 0.394 175.221 174.900 -0.121 0.000 1.427 646 G CA -0.102 44.951 45.100 -0.078 0.000 1.057 646 G HN 0.498 nan 8.290 nan 0.000 0.532 647 S N -2.226 113.327 115.700 -0.244 0.000 3.361 647 S HA -0.170 4.300 4.470 -0.000 0.000 0.288 647 S C 0.361 175.002 174.600 0.068 0.000 1.269 647 S CA 1.745 59.930 58.200 -0.025 0.000 0.976 647 S CB -1.226 62.001 63.200 0.045 0.000 1.162 647 S HN 1.208 nan 8.310 nan 0.000 0.643 648 R N -2.019 118.376 120.500 -0.174 0.000 2.728 648 R HA 0.606 4.946 4.340 -0.000 0.000 0.274 648 R C -1.417 174.734 176.300 -0.248 0.000 1.030 648 R CA -1.176 54.916 56.100 -0.013 0.000 0.876 648 R CB 0.212 30.445 30.300 -0.111 0.000 1.259 648 R HN 0.081 nan 8.270 nan 0.000 0.468 649 W N 0.664 121.807 121.300 -0.262 0.000 2.183 649 W HA 0.458 5.118 4.660 -0.000 0.000 0.348 649 W C 0.420 176.469 176.519 -0.782 0.000 1.257 649 W CA 0.463 57.586 57.345 -0.371 0.000 1.324 649 W CB 0.680 30.031 29.460 -0.181 0.000 1.144 649 W HN 0.311 nan 8.180 nan 0.000 0.622 650 H N 0.749 119.598 119.070 -0.369 0.000 2.895 650 H HA 0.358 4.913 4.556 -0.000 0.000 0.373 650 H C -1.149 173.954 175.328 -0.376 0.000 1.174 650 H CA -1.127 54.617 56.048 -0.507 0.000 1.144 650 H CB 2.543 31.758 29.762 -0.912 0.000 1.793 650 H HN 0.234 nan 8.280 nan 0.000 0.551 651 K N 1.838 122.216 120.400 -0.037 0.000 2.378 651 K HA 0.417 4.737 4.320 -0.000 0.000 0.252 651 K C -1.178 175.487 176.600 0.109 0.000 0.931 651 K CA -0.417 55.902 56.287 0.054 0.000 0.794 651 K CB 1.814 34.332 32.500 0.029 0.000 1.181 651 K HN 0.649 nan 8.250 nan 0.000 0.425 652 Q N 1.782 121.696 119.800 0.190 0.000 2.590 652 Q HA 0.273 4.613 4.340 -0.000 0.000 0.295 652 Q C -1.449 174.616 176.000 0.107 0.000 0.973 652 Q CA -1.108 54.781 55.803 0.143 0.000 0.768 652 Q CB 2.631 31.522 28.738 0.256 0.000 1.479 652 Q HN 0.465 nan 8.270 nan 0.000 0.419 653 Q N 0.945 120.707 119.800 -0.065 0.000 2.340 653 Q HA 0.460 4.800 4.340 -0.000 0.000 0.268 653 Q C -1.303 174.548 176.000 -0.250 0.000 1.031 653 Q CA -0.420 55.344 55.803 -0.065 0.000 0.804 653 Q CB 2.033 30.729 28.738 -0.071 0.000 1.286 653 Q HN 0.509 nan 8.270 nan 0.000 0.448 654 H N 0.344 119.402 119.070 -0.021 0.000 2.717 654 H HA 0.384 4.940 4.556 -0.000 0.000 0.366 654 H C -0.109 175.163 175.328 -0.093 0.000 1.132 654 H CA -0.540 55.497 56.048 -0.018 0.000 1.180 654 H CB 2.158 31.951 29.762 0.053 0.000 1.678 654 H HN 0.827 nan 8.280 nan 0.000 0.537 655 G N 0.282 109.107 108.800 0.042 0.000 2.588 655 G HA2 0.136 4.096 3.960 -0.000 0.000 0.278 655 G HA3 0.136 4.096 3.960 -0.000 0.000 0.278 655 G C 0.224 175.098 174.900 -0.043 0.000 1.307 655 G CA -0.396 44.656 45.100 -0.079 0.000 1.016 655 G HN 0.473 nan 8.290 nan 0.000 0.503 656 F N -0.997 119.067 119.950 0.191 0.000 2.641 656 F HA 0.123 4.650 4.527 -0.000 0.000 0.298 656 F C 2.031 177.998 175.800 0.277 0.000 1.146 656 F CA 0.620 58.760 58.000 0.234 0.000 1.464 656 F CB 0.008 39.137 39.000 0.216 0.000 1.101 656 F HN 0.031 nan 8.300 nan 0.000 0.585 657 L N -1.555 119.832 121.223 0.273 0.000 2.818 657 L HA 0.240 4.580 4.340 -0.000 0.000 0.243 657 L C 0.506 177.453 176.870 0.129 0.000 1.185 657 L CA -0.001 54.814 54.840 -0.042 0.000 0.988 657 L CB 0.012 41.767 42.059 -0.505 0.000 1.292 657 L HN -0.063 nan 8.230 nan 0.000 0.519 658 S N 0.916 116.904 115.700 0.479 0.000 2.588 658 S HA 0.880 5.350 4.470 -0.000 0.000 0.275 658 S C -1.142 173.703 174.600 0.408 0.000 1.130 658 S CA -0.550 58.045 58.200 0.660 0.000 0.855 658 S CB 1.896 65.511 63.200 0.693 0.000 1.116 658 S HN 0.213 nan 8.310 nan 0.000 0.472 659 L N -0.350 120.945 121.223 0.121 0.000 2.921 659 L HA 0.643 4.983 4.340 -0.000 0.000 0.261 659 L C -3.222 173.373 176.870 -0.458 0.000 0.984 659 L CA -1.932 52.639 54.840 -0.448 0.000 0.951 659 L CB 1.500 43.493 42.059 -0.110 0.000 1.495 659 L HN 0.371 nan 8.230 nan 0.000 0.414 660 P HA 0.196 nan 4.420 nan 0.000 0.264 660 P C -0.940 176.088 177.300 -0.454 0.000 1.236 660 P CA 0.149 63.001 63.100 -0.415 0.000 0.811 660 P CB 0.695 31.878 31.700 -0.863 0.000 0.840 661 V N 5.958 125.412 119.914 -0.766 0.000 2.385 661 V HA 0.280 4.400 4.120 -0.000 0.000 0.277 661 V C -0.693 174.815 176.094 -0.977 0.000 1.012 661 V CA -0.575 61.303 62.300 -0.703 0.000 0.832 661 V CB 0.085 31.580 31.823 -0.547 0.000 1.028 661 V HN 0.365 nan 8.190 nan 0.000 0.436 662 Y N 2.374 122.429 120.300 -0.408 0.000 2.360 662 Y HA 0.627 5.177 4.550 -0.000 0.000 0.337 662 Y C 0.252 176.185 175.900 0.056 0.000 1.039 662 Y CA -0.817 57.184 58.100 -0.165 0.000 1.109 662 Y CB 2.110 40.537 38.460 -0.054 0.000 1.201 662 Y HN 0.359 nan 8.280 nan 0.000 0.458 663 V N 4.543 124.456 119.914 -0.002 0.000 2.439 663 V HA 0.368 4.488 4.120 -0.000 0.000 0.282 663 V C 0.333 176.244 176.094 -0.305 0.000 1.039 663 V CA -1.164 60.947 62.300 -0.315 0.000 0.913 663 V CB 1.150 32.295 31.823 -1.130 0.000 0.983 663 V HN 0.717 nan 8.190 nan 0.000 0.460 664 R N 2.470 122.612 120.500 -0.596 0.000 2.784 664 R HA 0.117 4.457 4.340 -0.000 0.000 0.266 664 R C -0.074 175.840 176.300 -0.644 0.000 1.044 664 R CA -0.308 55.098 56.100 -1.157 0.000 1.151 664 R CB 0.475 30.314 30.300 -0.769 0.000 1.037 664 R HN 0.968 nan 8.270 nan 0.000 0.478 665 D N 0.836 120.873 120.400 -0.605 0.000 2.423 665 D HA 0.046 4.686 4.640 -0.000 0.000 0.255 665 D C -0.325 175.854 176.300 -0.203 0.000 1.174 665 D CA -0.457 53.371 54.000 -0.285 0.000 1.008 665 D CB 0.343 40.991 40.800 -0.253 0.000 1.101 665 D HN 0.575 nan 8.370 nan 0.000 0.516 666 N N -1.544 117.087 118.700 -0.115 0.000 2.735 666 N HA -0.182 4.558 4.740 -0.000 0.000 0.248 666 N C -0.771 174.723 175.510 -0.027 0.000 1.083 666 N CA 1.348 54.351 53.050 -0.079 0.000 0.703 666 N CB -1.714 36.694 38.487 -0.133 0.000 1.005 666 N HN 0.839 nan 8.380 nan 0.000 0.550 667 T N -1.796 112.768 114.554 0.017 0.000 2.893 667 T HA 0.616 4.966 4.350 -0.000 0.000 0.291 667 T C -0.740 174.057 174.700 0.161 0.000 1.028 667 T CA -0.887 61.234 62.100 0.035 0.000 0.995 667 T CB 2.136 70.958 68.868 -0.076 0.000 1.051 667 T HN 0.087 nan 8.240 nan 0.000 0.470 668 L N 4.178 125.481 121.223 0.133 0.000 2.316 668 L HA 0.715 5.055 4.340 -0.000 0.000 0.280 668 L C -1.394 175.607 176.870 0.219 0.000 1.006 668 L CA -0.915 54.041 54.840 0.193 0.000 0.836 668 L CB 1.008 43.132 42.059 0.109 0.000 1.221 668 L HN 0.738 nan 8.230 nan 0.000 0.418 669 L N 4.742 126.147 121.223 0.302 0.000 2.307 669 L HA 0.819 5.159 4.340 -0.000 0.000 0.284 669 L C -0.155 176.867 176.870 0.253 0.000 1.023 669 L CA -0.236 54.724 54.840 0.200 0.000 0.810 669 L CB 1.619 43.756 42.059 0.130 0.000 1.231 669 L HN 0.736 nan 8.230 nan 0.000 0.423 670 A N 6.418 129.331 122.820 0.156 0.000 2.260 670 A HA 0.705 5.025 4.320 -0.000 0.000 0.308 670 A C -0.958 176.627 177.584 0.001 0.000 1.254 670 A CA -0.455 51.563 52.037 -0.031 0.000 0.874 670 A CB 0.127 19.095 19.000 -0.054 0.000 1.153 670 A HN 0.681 nan 8.150 nan 0.000 0.527 671 L N 2.648 123.871 121.223 -0.001 0.000 2.346 671 L HA 0.651 4.991 4.340 -0.000 0.000 0.274 671 L C 0.902 177.815 176.870 0.072 0.000 1.007 671 L CA -0.814 54.067 54.840 0.069 0.000 0.818 671 L CB 2.191 44.326 42.059 0.127 0.000 1.284 671 L HN 0.827 nan 8.230 nan 0.000 0.424 672 G N 0.048 108.951 108.800 0.171 0.000 2.547 672 G HA2 0.180 4.140 3.960 -0.000 0.000 0.291 672 G HA3 0.180 4.140 3.960 -0.000 0.000 0.291 672 G C 0.170 175.209 174.900 0.231 0.000 1.211 672 G CA -0.605 44.687 45.100 0.320 0.000 0.950 672 G HN 0.911 nan 8.290 nan 0.000 0.504 673 N N -0.931 117.906 118.700 0.228 0.000 2.273 673 N HA 0.063 4.803 4.740 -0.000 0.000 0.231 673 N C -0.203 175.250 175.510 -0.095 0.000 1.134 673 N CA -0.470 52.617 53.050 0.062 0.000 0.856 673 N CB 0.328 38.852 38.487 0.063 0.000 1.068 673 N HN 0.236 nan 8.380 nan 0.000 0.510 674 N N 1.428 119.951 118.700 -0.295 0.000 2.410 674 N HA 0.042 4.782 4.740 -0.000 0.000 0.287 674 N C -1.294 173.977 175.510 -0.398 0.000 1.044 674 N CA -0.419 52.301 53.050 -0.551 0.000 0.881 674 N CB 1.776 39.525 38.487 -1.230 0.000 1.405 674 N HN 0.281 nan 8.380 nan 0.000 0.490 675 D N 1.694 121.965 120.400 -0.214 0.000 2.462 675 D HA 0.084 4.724 4.640 -0.000 0.000 0.221 675 D C 0.315 176.576 176.300 -0.064 0.000 1.173 675 D CA 0.263 54.192 54.000 -0.118 0.000 0.831 675 D CB 0.493 41.228 40.800 -0.108 0.000 1.001 675 D HN 0.315 nan 8.370 nan 0.000 0.499 676 Q N 0.385 120.138 119.800 -0.079 0.000 2.378 676 Q HA 0.187 4.527 4.340 -0.000 0.000 0.216 676 Q C 0.510 176.614 176.000 0.174 0.000 0.892 676 Q CA 0.441 56.253 55.803 0.014 0.000 0.931 676 Q CB 1.339 30.055 28.738 -0.037 0.000 1.086 676 Q HN 0.510 nan 8.270 nan 0.000 0.528 677 R N -0.899 119.657 120.500 0.093 0.000 2.716 677 R HA 0.352 4.692 4.340 -0.000 0.000 0.271 677 R C -2.733 173.633 176.300 0.111 0.000 1.028 677 R CA -1.333 54.845 56.100 0.130 0.000 0.883 677 R CB 0.856 31.253 30.300 0.162 0.000 1.250 677 R HN -0.303 nan 8.270 nan 0.000 0.465 678 P HA 0.007 nan 4.420 nan 0.000 0.238 678 P C -0.649 176.909 177.300 0.431 0.000 1.183 678 P CA 0.684 63.957 63.100 0.289 0.000 0.813 678 P CB 0.227 32.013 31.700 0.144 0.000 0.944 679 D N 1.070 121.635 120.400 0.274 0.000 2.467 679 D HA 0.194 4.834 4.640 -0.000 0.000 0.220 679 D C -0.209 176.081 176.300 -0.016 0.000 1.103 679 D CA -0.766 53.266 54.000 0.053 0.000 0.886 679 D CB -0.049 40.799 40.800 0.079 0.000 1.025 679 D HN 0.234 nan 8.370 nan 0.000 0.514 680 Y N -1.637 118.330 120.300 -0.555 0.000 2.744 680 Y HA 0.518 5.068 4.550 -0.000 0.000 0.330 680 Y C -0.897 174.452 175.900 -0.919 0.000 1.263 680 Y CA -1.808 55.971 58.100 -0.536 0.000 1.065 680 Y CB 0.516 38.812 38.460 -0.273 0.000 1.306 680 Y HN -0.093 nan 8.280 nan 0.000 0.459 681 V N 2.872 122.482 119.914 -0.507 0.000 2.341 681 V HA -0.068 4.052 4.120 -0.000 0.000 0.248 681 V C 0.418 176.160 176.094 -0.586 0.000 1.107 681 V CA -0.383 61.522 62.300 -0.658 0.000 1.069 681 V CB -0.956 30.599 31.823 -0.448 0.000 1.177 681 V HN 0.832 nan 8.190 nan 0.000 0.492 682 W N 3.073 124.052 121.300 -0.535 0.000 2.363 682 W HA -0.148 4.512 4.660 -0.000 0.000 0.296 682 W C 2.163 178.556 176.519 -0.211 0.000 1.212 682 W CA 1.729 58.817 57.345 -0.429 0.000 1.260 682 W CB -0.770 28.456 29.460 -0.390 0.000 1.131 682 W HN 1.002 nan 8.180 nan 0.000 0.530 683 H N -1.128 118.010 119.070 0.115 0.000 2.556 683 H HA 0.310 4.866 4.556 -0.000 0.000 0.273 683 H C -0.425 174.911 175.328 0.013 0.000 1.030 683 H CA 0.348 56.426 56.048 0.051 0.000 1.156 683 H CB -0.728 29.057 29.762 0.037 0.000 1.326 683 H HN 0.016 nan 8.280 nan 0.000 0.609 684 E N -0.149 120.053 120.200 0.003 0.000 2.191 684 E HA 0.416 4.766 4.350 -0.000 0.000 0.263 684 E C 0.288 176.941 176.600 0.089 0.000 0.881 684 E CA -0.290 56.152 56.400 0.070 0.000 0.757 684 E CB 1.270 30.966 29.700 -0.007 0.000 1.147 684 E HN 0.525 nan 8.360 nan 0.000 0.414 685 G N 3.049 111.923 108.800 0.124 0.000 2.162 685 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.260 685 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.260 685 G C 0.529 175.502 174.900 0.123 0.000 0.976 685 G CA 0.667 45.837 45.100 0.116 0.000 0.655 685 G HN 0.582 nan 8.290 nan 0.000 0.533 686 T N 0.103 114.724 114.554 0.110 0.000 2.934 686 T HA 0.508 4.857 4.350 -0.000 0.000 0.306 686 T C 0.605 175.257 174.700 -0.079 0.000 1.042 686 T CA 1.022 63.099 62.100 -0.039 0.000 1.145 686 T CB 0.722 69.460 68.868 -0.217 0.000 0.982 686 T HN 1.716 nan 8.240 nan 0.000 0.544 687 A N 5.623 128.374 122.820 -0.115 0.000 2.256 687 A HA 0.652 4.972 4.320 -0.000 0.000 0.317 687 A C -0.412 177.102 177.584 -0.117 0.000 1.318 687 A CA -0.753 51.271 52.037 -0.021 0.000 0.894 687 A CB -0.019 19.034 19.000 0.087 0.000 1.165 687 A HN 0.782 nan 8.150 nan 0.000 0.525 688 F N 1.817 121.839 119.950 0.120 0.000 2.375 688 F HA 0.378 4.905 4.527 -0.000 0.000 0.333 688 F C 0.976 176.726 175.800 -0.083 0.000 1.104 688 F CA 0.490 58.548 58.000 0.096 0.000 1.149 688 F CB 1.009 40.059 39.000 0.084 0.000 1.190 688 F HN 0.489 nan 8.300 nan 0.000 0.533 689 H N 3.847 123.069 119.070 0.253 0.000 2.744 689 H HA 0.265 4.821 4.556 -0.000 0.000 0.339 689 H C -1.110 174.229 175.328 0.019 0.000 1.004 689 H CA -0.665 55.415 56.048 0.054 0.000 1.257 689 H CB 2.305 32.099 29.762 0.055 0.000 1.552 689 H HN 0.337 nan 8.280 nan 0.000 0.522 690 L N 4.956 126.146 121.223 -0.054 0.000 2.275 690 L HA 0.369 4.709 4.340 -0.000 0.000 0.288 690 L C -1.289 175.468 176.870 -0.188 0.000 1.046 690 L CA -0.383 54.453 54.840 -0.006 0.000 0.805 690 L CB 0.045 42.105 42.059 0.003 0.000 1.193 690 L HN 0.434 nan 8.230 nan 0.000 0.426 691 F N 4.078 124.044 119.950 0.027 0.000 2.426 691 F HA 0.390 4.917 4.527 -0.000 0.000 0.348 691 F C 0.880 176.656 175.800 -0.041 0.000 1.124 691 F CA -0.856 57.143 58.000 -0.002 0.000 1.008 691 F CB 0.814 39.794 39.000 -0.033 0.000 1.139 691 F HN 0.515 nan 8.300 nan 0.000 0.452 692 N N 3.509 122.269 118.700 0.101 0.000 2.726 692 N HA -0.238 4.502 4.740 -0.000 0.000 0.287 692 N C -0.740 174.759 175.510 -0.018 0.000 1.052 692 N CA 0.413 53.481 53.050 0.029 0.000 0.805 692 N CB -0.199 38.298 38.487 0.017 0.000 0.944 692 N HN 0.608 nan 8.380 nan 0.000 0.574 693 L N 1.837 123.054 121.223 -0.009 0.000 2.278 693 L HA 0.087 4.427 4.340 -0.000 0.000 0.287 693 L C 0.977 177.824 176.870 -0.038 0.000 1.072 693 L CA -0.197 54.630 54.840 -0.022 0.000 0.819 693 L CB 0.567 42.635 42.059 0.015 0.000 1.176 693 L HN 0.266 nan 8.230 nan 0.000 0.435 694 Q N 2.264 121.990 119.800 -0.124 0.000 2.312 694 Q HA 0.087 4.427 4.340 -0.000 0.000 0.236 694 Q C -0.527 175.547 176.000 0.122 0.000 0.965 694 Q CA -0.664 55.092 55.803 -0.079 0.000 0.894 694 Q CB 1.086 29.633 28.738 -0.317 0.000 1.225 694 Q HN 0.462 nan 8.270 nan 0.000 0.478 695 D N -0.269 120.208 120.400 0.129 0.000 2.417 695 D HA 0.128 4.768 4.640 -0.000 0.000 0.250 695 D C 0.650 177.054 176.300 0.174 0.000 1.166 695 D CA 1.471 55.544 54.000 0.122 0.000 0.881 695 D CB 0.333 41.177 40.800 0.073 0.000 1.164 695 D HN 0.721 nan 8.370 nan 0.000 0.467 696 G N 3.076 111.929 108.800 0.089 0.000 2.141 696 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.242 696 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.242 696 G C 0.261 175.074 174.900 -0.144 0.000 0.982 696 G CA 0.135 45.223 45.100 -0.020 0.000 0.662 696 G HN 0.715 nan 8.290 nan 0.000 0.527 697 H N -0.203 118.863 119.070 -0.007 0.000 2.710 697 H HA 0.672 5.228 4.556 -0.000 0.000 0.361 697 H C -0.576 174.744 175.328 -0.013 0.000 1.175 697 H CA -0.428 55.614 56.048 -0.010 0.000 1.206 697 H CB 2.221 31.977 29.762 -0.010 0.000 1.750 697 H HN 0.342 nan 8.280 nan 0.000 0.553 698 E N 0.693 120.954 120.200 0.101 0.000 2.272 698 E HA 0.567 4.917 4.350 -0.000 0.000 0.269 698 E C -1.714 174.909 176.600 0.040 0.000 0.877 698 E CA -0.968 55.457 56.400 0.042 0.000 0.755 698 E CB 1.948 31.649 29.700 0.001 0.000 1.192 698 E HN 0.701 nan 8.360 nan 0.000 0.422 699 A N 3.698 126.530 122.820 0.019 0.000 2.304 699 A HA 0.584 4.904 4.320 -0.000 0.000 0.314 699 A C -1.021 176.553 177.584 -0.016 0.000 1.187 699 A CA -0.570 51.474 52.037 0.013 0.000 0.810 699 A CB 1.188 20.205 19.000 0.028 0.000 1.183 699 A HN 0.345 nan 8.150 nan 0.000 0.487 700 V N 1.159 121.062 119.914 -0.017 0.000 2.630 700 V HA 0.603 4.723 4.120 -0.000 0.000 0.305 700 V C -0.222 175.865 176.094 -0.013 0.000 1.046 700 V CA -0.542 61.732 62.300 -0.044 0.000 0.934 700 V CB 1.528 33.322 31.823 -0.048 0.000 1.003 700 V HN 1.073 nan 8.190 nan 0.000 0.451 701 C N 4.392 123.672 119.300 -0.032 0.000 2.446 701 C HA 0.575 5.035 4.460 -0.000 0.000 0.329 701 C C -0.518 174.494 174.990 0.037 0.000 1.166 701 C CA -0.454 58.596 59.018 0.054 0.000 1.341 701 C CB 0.437 28.268 27.740 0.152 0.000 1.970 701 C HN 1.000 nan 8.230 nan 0.000 0.452 702 E N 4.206 124.446 120.200 0.066 0.000 2.092 702 E HA 0.383 4.733 4.350 -0.000 0.000 0.271 702 E C -0.621 176.055 176.600 0.127 0.000 0.919 702 E CA -0.387 56.049 56.400 0.060 0.000 0.760 702 E CB 2.131 31.846 29.700 0.024 0.000 1.106 702 E HN 0.562 nan 8.360 nan 0.000 0.408 703 V N 5.588 125.630 119.914 0.213 0.000 2.546 703 V HA 0.345 4.465 4.120 -0.000 0.000 0.284 703 V C -2.172 174.057 176.094 0.226 0.000 1.050 703 V CA -1.809 60.633 62.300 0.237 0.000 0.981 703 V CB 1.300 33.345 31.823 0.370 0.000 0.990 703 V HN 0.586 nan 8.190 nan 0.000 0.474 704 P HA 0.546 nan 4.420 nan 0.000 0.286 704 P C -1.049 176.505 177.300 0.423 0.000 1.292 704 P CA -0.639 62.618 63.100 0.263 0.000 0.842 704 P CB 2.143 33.973 31.700 0.217 0.000 1.207 705 A N 0.275 123.312 122.820 0.360 0.000 2.247 705 A HA 0.588 4.908 4.320 -0.000 0.000 0.313 705 A C 1.596 179.385 177.584 0.342 0.000 1.109 705 A CA 0.077 52.303 52.037 0.314 0.000 0.890 705 A CB -0.386 18.734 19.000 0.201 0.000 1.239 705 A HN 0.478 nan 8.150 nan 0.000 0.506 706 A N -0.287 122.592 122.820 0.099 0.000 2.019 706 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 706 A C 1.249 178.953 177.584 0.199 0.000 1.164 706 A CA 2.193 54.225 52.037 -0.007 0.000 0.644 706 A CB -0.776 18.134 19.000 -0.150 0.000 0.805 706 A HN 0.873 nan 8.150 nan 0.000 0.449 707 D N -2.724 117.805 120.400 0.215 0.000 2.328 707 D HA 0.312 4.952 4.640 -0.000 0.000 0.226 707 D C 1.143 177.611 176.300 0.280 0.000 1.066 707 D CA 0.887 55.024 54.000 0.228 0.000 0.861 707 D CB -0.418 40.466 40.800 0.141 0.000 0.912 707 D HN 0.689 nan 8.370 nan 0.000 0.521 708 G N 0.041 109.081 108.800 0.400 0.000 2.199 708 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.254 708 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.254 708 G C 0.435 175.431 174.900 0.159 0.000 0.982 708 G CA 0.371 45.639 45.100 0.279 0.000 0.632 708 G HN 0.860 nan 8.290 nan 0.000 0.529 709 S N -0.470 115.322 115.700 0.154 0.000 2.580 709 S HA 0.617 5.087 4.470 -0.000 0.000 0.274 709 S C 0.625 175.297 174.600 0.121 0.000 1.329 709 S CA 0.049 58.313 58.200 0.106 0.000 1.036 709 S CB 2.206 65.460 63.200 0.090 0.000 0.919 709 S HN 1.786 nan 8.310 nan 0.000 0.515 710 V N 4.359 124.326 119.914 0.087 0.000 2.521 710 V HA 0.303 4.423 4.120 -0.000 0.000 0.286 710 V C 0.469 176.627 176.094 0.106 0.000 1.034 710 V CA -0.118 62.239 62.300 0.096 0.000 1.045 710 V CB 0.255 32.109 31.823 0.051 0.000 0.974 710 V HN 1.030 nan 8.190 nan 0.000 0.480 711 I N 6.162 126.824 120.570 0.154 0.000 4.018 711 I HA 0.475 4.645 4.170 -0.000 0.000 0.337 711 I C -0.446 175.797 176.117 0.210 0.000 1.327 711 I CA -0.110 61.272 61.300 0.136 0.000 1.100 711 I CB 0.221 38.290 38.000 0.115 0.000 1.025 711 I HN 0.696 nan 8.210 nan 0.000 0.396 712 F N 0.102 120.064 119.950 0.019 0.000 2.652 712 F HA 0.349 4.876 4.527 -0.000 0.000 0.320 712 F C -1.366 174.427 175.800 -0.013 0.000 1.115 712 F CA -0.411 57.585 58.000 -0.006 0.000 1.053 712 F CB 1.160 40.167 39.000 0.011 0.000 1.297 712 F HN -0.353 nan 8.300 nan 0.000 0.471 713 T N 6.835 120.956 114.554 -0.722 0.000 2.829 713 T HA 0.605 4.955 4.350 -0.000 0.000 0.280 713 T C -1.634 172.460 174.700 -1.010 0.000 0.999 713 T CA -0.611 61.123 62.100 -0.610 0.000 0.983 713 T CB 1.630 70.300 68.868 -0.332 0.000 0.968 713 T HN 0.537 nan 8.240 nan 0.000 0.446 714 L N 3.288 124.060 121.223 -0.751 0.000 2.365 714 L HA 0.685 5.025 4.340 -0.000 0.000 0.273 714 L C -0.668 175.950 176.870 -0.419 0.000 1.000 714 L CA -0.638 53.740 54.840 -0.770 0.000 0.819 714 L CB 1.661 43.065 42.059 -1.092 0.000 1.284 714 L HN 0.666 nan 8.230 nan 0.000 0.418 715 K N 3.556 123.768 120.400 -0.314 0.000 2.427 715 K HA 0.788 5.107 4.320 -0.000 0.000 0.252 715 K C -1.532 174.996 176.600 -0.119 0.000 0.931 715 K CA -0.532 55.648 56.287 -0.178 0.000 0.793 715 K CB 2.160 34.574 32.500 -0.143 0.000 1.211 715 K HN 0.704 nan 8.250 nan 0.000 0.426 716 A N 2.638 125.416 122.820 -0.071 0.000 2.340 716 A HA 0.739 5.059 4.320 -0.000 0.000 0.297 716 A C -1.242 176.337 177.584 -0.010 0.000 1.195 716 A CA -0.628 51.390 52.037 -0.032 0.000 0.769 716 A CB 1.255 20.246 19.000 -0.016 0.000 1.163 716 A HN 0.697 nan 8.150 nan 0.000 0.472 717 A N 2.704 125.520 122.820 -0.006 0.000 2.331 717 A HA 0.799 5.119 4.320 -0.000 0.000 0.320 717 A C -0.010 177.583 177.584 0.015 0.000 1.138 717 A CA -0.669 51.371 52.037 0.005 0.000 0.790 717 A CB 0.813 19.808 19.000 -0.008 0.000 1.206 717 A HN 0.915 nan 8.150 nan 0.000 0.470 718 R N 1.482 122.000 120.500 0.030 0.000 2.445 718 R HA 0.661 5.001 4.340 -0.000 0.000 0.308 718 R C -1.433 174.884 176.300 0.029 0.000 0.961 718 R CA -0.085 56.034 56.100 0.032 0.000 0.862 718 R CB 1.496 31.823 30.300 0.045 0.000 1.144 718 R HN 0.615 nan 8.270 nan 0.000 0.447 719 T N 3.041 117.607 114.554 0.020 0.000 2.949 719 T HA 0.473 4.823 4.350 -0.000 0.000 0.300 719 T C 0.061 174.770 174.700 0.016 0.000 0.988 719 T CA 0.142 62.251 62.100 0.015 0.000 0.993 719 T CB 1.537 70.409 68.868 0.006 0.000 0.984 719 T HN 0.975 nan 8.240 nan 0.000 0.442 720 G N 4.230 113.041 108.800 0.019 0.000 2.583 720 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.292 720 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.292 720 G C 0.145 175.057 174.900 0.019 0.000 1.203 720 G CA -0.011 45.099 45.100 0.017 0.000 0.987 720 G HN 0.652 nan 8.290 nan 0.000 0.554 721 N N 1.538 120.247 118.700 0.016 0.000 2.380 721 N HA 0.308 5.048 4.740 -0.000 0.000 0.255 721 N C -0.340 175.178 175.510 0.014 0.000 1.158 721 N CA 0.554 53.613 53.050 0.015 0.000 0.878 721 N CB 0.841 39.336 38.487 0.013 0.000 1.138 721 N HN 0.499 nan 8.380 nan 0.000 0.509 722 T N 1.103 115.665 114.554 0.014 0.000 2.786 722 T HA 0.505 4.855 4.350 -0.000 0.000 0.283 722 T C 0.376 175.085 174.700 0.014 0.000 0.992 722 T CA -0.320 61.788 62.100 0.013 0.000 0.954 722 T CB 1.426 70.300 68.868 0.010 0.000 0.934 722 T HN -0.005 nan 8.240 nan 0.000 0.440 723 I N 3.271 123.850 120.570 0.015 0.000 2.354 723 I HA 0.246 4.416 4.170 -0.000 0.000 0.286 723 I C 0.251 176.377 176.117 0.015 0.000 1.007 723 I CA -0.583 60.726 61.300 0.016 0.000 1.167 723 I CB 1.338 39.349 38.000 0.017 0.000 1.320 723 I HN 0.495 nan 8.210 nan 0.000 0.458 724 T N 6.031 120.591 114.554 0.010 0.000 2.727 724 T HA 0.295 4.645 4.350 -0.000 0.000 0.298 724 T C 0.070 174.773 174.700 0.005 0.000 0.942 724 T CA -0.353 61.753 62.100 0.009 0.000 0.997 724 T CB 0.935 69.805 68.868 0.003 0.000 0.917 724 T HN 0.154 nan 8.240 nan 0.000 0.487 725 V N 4.284 124.210 119.914 0.020 0.000 2.364 725 V HA 0.532 4.652 4.120 -0.000 0.000 0.272 725 V C 0.573 176.681 176.094 0.023 0.000 1.036 725 V CA -0.492 61.819 62.300 0.020 0.000 0.880 725 V CB 1.259 33.129 31.823 0.079 0.000 0.991 725 V HN 0.919 nan 8.190 nan 0.000 0.460 726 T N 3.852 118.384 114.554 -0.037 0.000 2.881 726 T HA 0.769 5.119 4.350 -0.000 0.000 0.290 726 T C -0.153 174.462 174.700 -0.142 0.000 1.000 726 T CA -0.075 62.000 62.100 -0.041 0.000 0.978 726 T CB 1.369 70.211 68.868 -0.043 0.000 0.997 726 T HN 0.920 nan 8.240 nan 0.000 0.443 727 G N 1.848 110.583 108.800 -0.108 0.000 2.519 727 G HA2 0.806 4.766 3.960 -0.000 0.000 0.307 727 G HA3 0.806 4.766 3.960 -0.000 0.000 0.307 727 G C -1.253 173.537 174.900 -0.183 0.000 1.266 727 G CA -0.560 44.348 45.100 -0.320 0.000 0.970 727 G HN 1.045 nan 8.290 nan 0.000 0.481 728 A N -0.132 122.468 122.820 -0.367 0.000 2.475 728 A HA 1.071 5.391 4.320 -0.000 0.000 0.301 728 A C 0.379 177.958 177.584 -0.008 0.000 1.059 728 A CA 0.296 52.269 52.037 -0.107 0.000 0.710 728 A CB 1.537 20.471 19.000 -0.109 0.000 1.288 728 A HN 2.685 nan 8.150 nan 0.000 0.408 729 G N 0.466 109.375 108.800 0.182 0.000 2.526 729 G HA2 0.178 4.138 3.960 -0.000 0.000 0.250 729 G HA3 0.178 4.138 3.960 -0.000 0.000 0.250 729 G C -1.115 173.984 174.900 0.333 0.000 1.289 729 G CA -0.582 44.673 45.100 0.258 0.000 0.947 729 G HN 0.837 nan 8.290 nan 0.000 0.517 730 E N 0.456 120.743 120.200 0.146 0.000 2.175 730 E HA 0.730 5.080 4.350 -0.000 0.000 0.278 730 E C 0.309 176.704 176.600 -0.341 0.000 0.969 730 E CA 0.424 56.775 56.400 -0.082 0.000 0.796 730 E CB 1.420 31.014 29.700 -0.176 0.000 1.104 730 E HN 1.844 nan 8.360 nan 0.000 0.395 731 A N 3.012 125.606 122.820 -0.376 0.000 2.585 731 A HA 0.505 4.825 4.320 -0.000 0.000 0.299 731 A C -1.298 176.257 177.584 -0.049 0.000 1.047 731 A CA -0.989 50.812 52.037 -0.393 0.000 0.723 731 A CB 1.102 19.295 19.000 -1.345 0.000 1.275 731 A HN 0.560 nan 8.150 nan 0.000 0.408 732 K N 0.602 121.089 120.400 0.145 0.000 2.536 732 K HA 0.750 5.070 4.320 -0.000 0.000 0.269 732 K C -0.119 176.585 176.600 0.173 0.000 0.965 732 K CA -0.513 55.880 56.287 0.176 0.000 0.860 732 K CB 1.389 33.941 32.500 0.088 0.000 1.423 732 K HN 0.819 nan 8.250 nan 0.000 0.438 733 N N 0.494 119.234 118.700 0.066 0.000 2.776 733 N HA -0.139 4.601 4.740 -0.000 0.000 0.249 733 N C -0.777 174.802 175.510 0.115 0.000 1.111 733 N CA 0.900 53.966 53.050 0.027 0.000 0.711 733 N CB -0.783 37.730 38.487 0.044 0.000 1.065 733 N HN 0.732 nan 8.380 nan 0.000 0.556 734 W N 1.078 122.427 121.300 0.081 0.000 2.359 734 W HA 0.643 5.303 4.660 -0.000 0.000 0.344 734 W C 0.276 176.899 176.519 0.174 0.000 1.170 734 W CA 0.100 57.544 57.345 0.164 0.000 1.296 734 W CB 0.387 30.067 29.460 0.367 0.000 1.197 734 W HN -0.010 nan 8.180 nan 0.000 0.618 735 T N -0.305 114.602 114.554 0.587 0.000 2.865 735 T HA 0.646 4.996 4.350 -0.000 0.000 0.294 735 T C -1.572 173.463 174.700 0.558 0.000 1.119 735 T CA -0.964 61.347 62.100 0.352 0.000 1.007 735 T CB 2.145 71.090 68.868 0.129 0.000 1.225 735 T HN 0.510 nan 8.240 nan 0.000 0.515 736 L N 1.225 122.641 121.223 0.321 0.000 2.406 736 L HA 0.665 5.005 4.340 -0.000 0.000 0.270 736 L C -0.718 176.173 176.870 0.035 0.000 0.982 736 L CA -0.647 54.347 54.840 0.256 0.000 0.843 736 L CB 1.079 43.329 42.059 0.319 0.000 1.225 736 L HN 1.139 nan 8.230 nan 0.000 0.412 737 C N 6.396 125.614 119.300 -0.136 0.000 2.285 737 C HA 0.512 4.972 4.460 -0.000 0.000 0.335 737 C C 0.315 175.230 174.990 -0.124 0.000 1.267 737 C CA -0.860 58.054 59.018 -0.173 0.000 1.762 737 C CB -0.526 27.006 27.740 -0.347 0.000 2.365 737 C HN 0.766 nan 8.230 nan 0.000 0.527 738 L N 7.906 129.087 121.223 -0.070 0.000 2.358 738 L HA 0.326 4.666 4.340 -0.000 0.000 0.274 738 L C 0.646 177.465 176.870 -0.085 0.000 1.136 738 L CA -0.291 54.508 54.840 -0.068 0.000 0.970 738 L CB -0.490 41.552 42.059 -0.028 0.000 1.314 738 L HN 0.605 nan 8.230 nan 0.000 0.427 739 R N 3.714 124.110 120.500 -0.174 0.000 2.486 739 R HA -0.118 4.222 4.340 -0.000 0.000 0.304 739 R C 0.639 176.902 176.300 -0.062 0.000 0.913 739 R CA 0.309 56.307 56.100 -0.169 0.000 1.124 739 R CB -0.313 29.722 30.300 -0.441 0.000 0.891 739 R HN 0.635 nan 8.270 nan 0.000 0.410 740 N N -0.135 118.559 118.700 -0.010 0.000 2.782 740 N HA -0.175 4.565 4.740 -0.000 0.000 0.251 740 N C -0.927 174.591 175.510 0.013 0.000 1.101 740 N CA 0.952 54.014 53.050 0.019 0.000 0.764 740 N CB -0.795 37.715 38.487 0.039 0.000 1.122 740 N HN 0.250 nan 8.380 nan 0.000 0.561 741 V N 1.325 121.241 119.914 0.003 0.000 2.328 741 V HA 0.207 4.327 4.120 -0.000 0.000 0.278 741 V C 1.723 177.822 176.094 0.009 0.000 1.021 741 V CA -0.482 61.821 62.300 0.005 0.000 0.838 741 V CB 1.824 33.646 31.823 -0.002 0.000 0.999 741 V HN -0.044 nan 8.190 nan 0.000 0.447 742 V N 3.615 123.537 119.914 0.013 0.000 2.427 742 V HA 0.013 4.133 4.120 -0.000 0.000 0.248 742 V C 0.798 176.899 176.094 0.011 0.000 1.051 742 V CA 1.585 63.893 62.300 0.015 0.000 1.048 742 V CB -0.482 31.351 31.823 0.016 0.000 0.666 742 V HN 0.892 nan 8.190 nan 0.000 0.456 743 K N -0.999 119.407 120.400 0.009 0.000 2.703 743 K HA 0.451 4.771 4.320 -0.000 0.000 0.285 743 K C -1.625 174.979 176.600 0.007 0.000 1.014 743 K CA -0.431 55.861 56.287 0.008 0.000 0.858 743 K CB 2.278 34.783 32.500 0.008 0.000 1.467 743 K HN -0.034 nan 8.250 nan 0.000 0.383 744 V N -0.510 119.407 119.914 0.006 0.000 3.096 744 V HA 0.547 4.667 4.120 -0.000 0.000 0.319 744 V C 0.115 176.213 176.094 0.005 0.000 1.103 744 V CA -0.388 61.916 62.300 0.006 0.000 1.016 744 V CB 1.645 33.472 31.823 0.006 0.000 1.090 744 V HN 0.968 nan 8.190 nan 0.000 0.449 745 N N -0.096 118.607 118.700 0.006 0.000 2.275 745 N HA 0.461 5.201 4.740 -0.000 0.000 0.236 745 N C 0.245 175.757 175.510 0.004 0.000 1.154 745 N CA 0.231 53.284 53.050 0.005 0.000 0.866 745 N CB 1.132 39.622 38.487 0.006 0.000 1.093 745 N HN 1.144 nan 8.380 nan 0.000 0.515 746 G N 1.137 109.939 108.800 0.004 0.000 2.455 746 G HA2 0.367 4.327 3.960 -0.000 0.000 0.298 746 G HA3 0.367 4.327 3.960 -0.000 0.000 0.298 746 G C -2.148 172.754 174.900 0.004 0.000 1.349 746 G CA -0.423 44.679 45.100 0.004 0.000 1.220 746 G HN 0.100 nan 8.290 nan 0.000 0.598 747 L N 2.262 123.485 121.223 0.001 0.000 2.441 747 L HA 0.651 4.991 4.340 -0.000 0.000 0.270 747 L C -0.802 176.066 176.870 -0.002 0.000 0.973 747 L CA -0.557 54.283 54.840 0.000 0.000 0.842 747 L CB 1.809 43.866 42.059 -0.003 0.000 1.239 747 L HN 0.743 nan 8.230 nan 0.000 0.406 748 Q N 3.293 123.093 119.800 0.000 0.000 2.331 748 Q HA 0.392 4.732 4.340 -0.000 0.000 0.267 748 Q C -0.777 175.222 176.000 -0.003 0.000 1.006 748 Q CA -0.157 55.645 55.803 -0.001 0.000 0.818 748 Q CB 1.209 29.949 28.738 0.003 0.000 1.276 748 Q HN 0.714 nan 8.270 nan 0.000 0.450 749 D N 1.765 122.160 120.400 -0.009 0.000 2.873 749 D HA -0.139 4.501 4.640 -0.000 0.000 0.228 749 D C -0.674 175.606 176.300 -0.033 0.000 1.122 749 D CA 1.613 55.603 54.000 -0.016 0.000 0.758 749 D CB -1.068 39.729 40.800 -0.005 0.000 1.094 749 D HN 0.760 nan 8.370 nan 0.000 0.434 750 G N -1.636 107.142 108.800 -0.035 0.000 2.601 750 G HA2 0.552 4.512 3.960 -0.000 0.000 0.291 750 G HA3 0.552 4.512 3.960 -0.000 0.000 0.291 750 G C -1.147 173.726 174.900 -0.044 0.000 1.456 750 G CA -0.020 45.047 45.100 -0.054 0.000 0.804 750 G HN 0.265 nan 8.290 nan 0.000 0.499 751 S N -0.992 114.675 115.700 -0.056 0.000 2.722 751 S HA 0.824 5.294 4.470 -0.000 0.000 0.292 751 S C -0.175 174.404 174.600 -0.035 0.000 1.135 751 S CA -0.046 58.129 58.200 -0.042 0.000 1.003 751 S CB 1.583 64.754 63.200 -0.048 0.000 1.067 751 S HN 1.089 nan 8.310 nan 0.000 0.546 752 Q N 0.727 120.513 119.800 -0.024 0.000 2.511 752 Q HA 0.809 5.149 4.340 -0.000 0.000 0.289 752 Q C -1.626 174.368 176.000 -0.011 0.000 1.021 752 Q CA -1.340 54.454 55.803 -0.016 0.000 0.785 752 Q CB 1.633 30.365 28.738 -0.010 0.000 1.472 752 Q HN 0.948 nan 8.270 nan 0.000 0.411 753 A N 0.940 123.757 122.820 -0.005 0.000 2.605 753 A HA 0.539 4.859 4.320 -0.000 0.000 0.294 753 A C -1.253 176.335 177.584 0.006 0.000 1.062 753 A CA -0.819 51.218 52.037 0.000 0.000 0.682 753 A CB 1.634 20.633 19.000 -0.000 0.000 1.278 753 A HN 0.658 nan 8.150 nan 0.000 0.410 754 E N 0.438 120.644 120.200 0.010 0.000 2.391 754 E HA 0.592 4.942 4.350 -0.000 0.000 0.255 754 E C 0.081 176.695 176.600 0.023 0.000 1.187 754 E CA 0.200 56.610 56.400 0.016 0.000 0.941 754 E CB 1.378 31.089 29.700 0.018 0.000 1.010 754 E HN 0.830 nan 8.360 nan 0.000 0.458 755 S N -0.696 115.023 115.700 0.031 0.000 2.578 755 S HA 0.085 4.555 4.470 -0.000 0.000 0.272 755 S C 0.541 175.175 174.600 0.056 0.000 1.145 755 S CA -0.313 57.914 58.200 0.045 0.000 0.835 755 S CB 1.239 64.468 63.200 0.048 0.000 1.104 755 S HN 0.485 nan 8.310 nan 0.000 0.458 756 E N 1.701 121.944 120.200 0.071 0.000 2.070 756 E HA -0.170 4.180 4.350 -0.000 0.000 0.197 756 E C 1.384 178.039 176.600 0.091 0.000 1.004 756 E CA 2.309 58.759 56.400 0.083 0.000 0.805 756 E CB -0.094 29.666 29.700 0.099 0.000 0.744 756 E HN 0.596 nan 8.360 nan 0.000 0.451 757 Q N -0.176 119.688 119.800 0.107 0.000 2.378 757 Q HA 0.221 4.561 4.340 -0.000 0.000 0.205 757 Q C 0.733 176.773 176.000 0.066 0.000 0.954 757 Q CA 0.999 56.868 55.803 0.110 0.000 0.901 757 Q CB 0.865 29.703 28.738 0.168 0.000 0.981 757 Q HN 0.316 nan 8.270 nan 0.000 0.483 758 G N 0.249 109.080 108.800 0.052 0.000 2.351 758 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.353 758 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.353 758 G C -1.523 173.386 174.900 0.015 0.000 1.358 758 G CA -0.900 44.215 45.100 0.025 0.000 0.995 758 G HN 0.141 nan 8.290 nan 0.000 0.611 759 L N 0.416 121.643 121.223 0.007 0.000 2.601 759 L HA 0.399 4.739 4.340 -0.000 0.000 0.277 759 L C 0.192 177.059 176.870 -0.006 0.000 1.219 759 L CA -0.241 54.601 54.840 0.003 0.000 0.915 759 L CB 0.214 42.274 42.059 0.002 0.000 1.160 759 L HN 0.423 nan 8.230 nan 0.000 0.494 760 V N 6.292 126.204 119.914 -0.004 0.000 2.398 760 V HA 0.333 4.453 4.120 -0.000 0.000 0.286 760 V C 0.014 176.105 176.094 -0.005 0.000 1.026 760 V CA -0.581 61.714 62.300 -0.009 0.000 0.868 760 V CB 1.715 33.535 31.823 -0.006 0.000 0.982 760 V HN 0.491 nan 8.190 nan 0.000 0.443 761 V N 4.607 124.523 119.914 0.003 0.000 2.435 761 V HA 0.505 4.625 4.120 -0.000 0.000 0.290 761 V C -0.071 175.998 176.094 -0.042 0.000 1.030 761 V CA -0.846 61.448 62.300 -0.010 0.000 0.881 761 V CB 1.903 33.730 31.823 0.007 0.000 0.983 761 V HN 0.822 nan 8.190 nan 0.000 0.445 762 K N 7.394 127.742 120.400 -0.086 0.000 2.265 762 K HA 0.596 4.916 4.320 -0.000 0.000 0.267 762 K C -2.839 173.631 176.600 -0.217 0.000 0.994 762 K CA -2.183 54.006 56.287 -0.164 0.000 0.860 762 K CB 1.717 34.145 32.500 -0.120 0.000 1.099 762 K HN 0.293 nan 8.250 nan 0.000 0.448 763 P HA 0.228 nan 4.420 nan 0.000 0.276 763 P C -0.986 176.166 177.300 -0.248 0.000 1.252 763 P CA -0.485 62.410 63.100 -0.342 0.000 0.802 763 P CB 0.696 32.032 31.700 -0.606 0.000 1.035 764 Q N 1.145 120.859 119.800 -0.144 0.000 2.815 764 Q HA 0.491 4.831 4.340 -0.000 0.000 0.329 764 Q C 0.662 176.626 176.000 -0.060 0.000 1.037 764 Q CA -0.055 55.692 55.803 -0.094 0.000 1.002 764 Q CB 0.416 29.120 28.738 -0.057 0.000 1.274 764 Q HN 0.828 nan 8.270 nan 0.000 0.452 765 G N 1.891 110.645 108.800 -0.076 0.000 2.348 765 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.199 765 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.199 765 G C -0.596 174.351 174.900 0.078 0.000 1.235 765 G CA -0.246 44.859 45.100 0.008 0.000 1.264 765 G HN 0.513 nan 8.290 nan 0.000 0.543 766 N N -0.614 118.200 118.700 0.189 0.000 2.604 766 N HA 0.556 5.296 4.740 -0.000 0.000 0.284 766 N C -0.257 175.409 175.510 0.259 0.000 1.716 766 N CA 0.324 53.615 53.050 0.402 0.000 0.859 766 N CB 1.442 40.266 38.487 0.562 0.000 1.403 766 N HN 1.656 nan 8.380 nan 0.000 0.501 767 A N 1.374 124.292 122.820 0.163 0.000 3.426 767 A HA 0.237 4.557 4.320 -0.000 0.000 0.222 767 A C -0.583 177.042 177.584 0.068 0.000 1.090 767 A CA -0.594 51.503 52.037 0.100 0.000 1.026 767 A CB -0.036 19.005 19.000 0.068 0.000 1.342 767 A HN 0.366 nan 8.150 nan 0.000 0.695 768 L N -1.786 119.485 121.223 0.080 0.000 2.399 768 L HA 0.943 5.283 4.340 -0.000 0.000 0.265 768 L C -0.281 176.614 176.870 0.041 0.000 1.089 768 L CA -0.251 54.616 54.840 0.045 0.000 0.802 768 L CB 0.528 42.604 42.059 0.029 0.000 1.180 768 L HN 0.216 nan 8.230 nan 0.000 0.454 769 T N 3.203 117.772 114.554 0.025 0.000 2.861 769 T HA 0.641 4.991 4.350 -0.000 0.000 0.287 769 T C -0.670 174.040 174.700 0.016 0.000 1.003 769 T CA -0.559 61.553 62.100 0.021 0.000 0.977 769 T CB 0.968 69.845 68.868 0.015 0.000 0.996 769 T HN 0.791 nan 8.240 nan 0.000 0.448 770 I N 3.302 123.883 120.570 0.017 0.000 2.569 770 I HA 0.659 4.829 4.170 -0.000 0.000 0.296 770 I C -0.969 175.155 176.117 0.012 0.000 1.028 770 I CA -0.483 60.825 61.300 0.014 0.000 1.082 770 I CB 2.249 40.259 38.000 0.016 0.000 1.264 770 I HN 0.545 nan 8.210 nan 0.000 0.429 771 T N 7.871 122.431 114.554 0.009 0.000 2.821 771 T HA 0.447 4.797 4.350 -0.000 0.000 0.307 771 T C 0.259 174.965 174.700 0.009 0.000 1.034 771 T CA -0.410 61.695 62.100 0.009 0.000 0.953 771 T CB 0.722 69.595 68.868 0.007 0.000 0.968 771 T HN 0.408 nan 8.240 nan 0.000 0.462 772 L N 0.000 121.229 121.223 0.010 0.000 2.949 772 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 772 L CA 0.000 54.846 54.840 0.010 0.000 0.813 772 L CB 0.000 42.066 42.059 0.011 0.000 0.961 772 L HN 0.000 nan 8.230 nan 0.000 0.502