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_E 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 IXXXXXXAPA HVYKRWCAFG LLSSHSRLHX XXXXXXXXXX DATA SEQUENCE DDESCDVVRF 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 0.000 176.448 176.600 -0.254 0.000 0.988 2 K CA 0.000 56.168 56.287 -0.199 0.000 0.838 2 K CB 0.000 32.409 32.500 -0.151 0.000 1.064 3 I N -0.070 120.329 120.570 -0.285 0.000 3.366 3 I HA -0.014 4.156 4.170 -0.000 0.000 0.267 3 I C 1.029 176.995 176.117 -0.251 0.000 1.149 3 I CA 0.264 61.356 61.300 -0.346 0.000 1.436 3 I CB 0.404 38.071 38.000 -0.556 0.000 1.379 3 I HN 0.593 nan 8.210 nan 0.000 0.460 4 S N 0.207 115.776 115.700 -0.218 0.000 2.652 4 S HA 0.270 4.739 4.470 -0.000 0.000 0.270 4 S C -0.477 174.044 174.600 -0.132 0.000 1.243 4 S CA -0.503 57.604 58.200 -0.156 0.000 0.999 4 S CB 1.853 64.963 63.200 -0.150 0.000 0.973 4 S HN 0.206 nan 8.310 nan 0.000 0.544 5 D N -0.036 120.303 120.400 -0.102 0.000 2.404 5 D HA 0.513 5.153 4.640 -0.000 0.000 0.267 5 D C 0.572 176.821 176.300 -0.084 0.000 1.194 5 D CA 0.782 54.733 54.000 -0.081 0.000 0.910 5 D CB 0.071 40.839 40.800 -0.053 0.000 1.090 5 D HN 1.144 nan 8.370 nan 0.000 0.511 6 G N 3.217 111.943 108.800 -0.124 0.000 2.782 6 G HA2 -0.271 3.688 3.960 -0.000 0.000 0.228 6 G HA3 -0.271 3.688 3.960 -0.000 0.000 0.228 6 G C 0.694 175.425 174.900 -0.282 0.000 1.372 6 G CA -0.086 44.903 45.100 -0.185 0.000 0.862 6 G HN 0.619 nan 8.290 nan 0.000 0.547 7 N N -0.588 117.788 118.700 -0.540 0.000 2.336 7 N HA 0.038 4.778 4.740 -0.000 0.000 0.189 7 N C 1.472 176.678 175.510 -0.507 0.000 1.113 7 N CA 0.978 53.680 53.050 -0.581 0.000 0.858 7 N CB 0.125 38.189 38.487 -0.705 0.000 0.970 7 N HN 0.756 nan 8.380 nan 0.000 0.471 8 W N 0.800 122.087 121.300 -0.023 0.000 2.762 8 W HA 0.417 5.077 4.660 -0.000 0.000 0.265 8 W C 0.844 177.351 176.519 -0.020 0.000 1.263 8 W CA -0.630 56.704 57.345 -0.018 0.000 1.411 8 W CB 0.459 29.909 29.460 -0.017 0.000 1.065 8 W HN -0.141 nan 8.180 nan 0.000 0.609 9 L N -0.239 121.064 121.223 0.133 0.000 2.211 9 L HA 0.650 4.990 4.340 -0.000 0.000 0.259 9 L C -0.354 176.517 176.870 0.001 0.000 1.031 9 L CA -1.367 53.514 54.840 0.070 0.000 0.877 9 L CB 1.608 43.705 42.059 0.063 0.000 1.457 9 L HN -0.322 nan 8.230 nan 0.000 0.466 10 I N -0.270 120.293 120.570 -0.012 0.000 2.689 10 I HA 0.239 4.409 4.170 -0.000 0.000 0.299 10 I C -0.556 175.526 176.117 -0.059 0.000 1.059 10 I CA -0.933 60.338 61.300 -0.049 0.000 1.055 10 I CB 2.088 40.064 38.000 -0.041 0.000 1.243 10 I HN 0.484 nan 8.210 nan 0.000 0.425 11 Q N 3.933 123.679 119.800 -0.090 0.000 2.333 11 Q HA 0.120 4.460 4.340 -0.000 0.000 0.299 11 Q C -2.271 173.686 176.000 -0.070 0.000 1.067 11 Q CA -1.185 54.566 55.803 -0.087 0.000 0.943 11 Q CB -0.102 28.564 28.738 -0.120 0.000 1.233 11 Q HN 0.227 nan 8.270 nan 0.000 0.401 12 P HA 0.034 nan 4.420 nan 0.000 0.265 12 P C 0.530 177.801 177.300 -0.049 0.000 1.193 12 P CA 0.930 64.004 63.100 -0.043 0.000 0.765 12 P CB 0.440 32.119 31.700 -0.035 0.000 0.823 13 G N 1.942 110.717 108.800 -0.041 0.000 2.176 13 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.253 13 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.253 13 G C -0.178 174.690 174.900 -0.053 0.000 0.979 13 G CA -0.340 44.735 45.100 -0.041 0.000 0.641 13 G HN 0.458 nan 8.290 nan 0.000 0.530 14 L N 1.145 122.326 121.223 -0.070 0.000 2.282 14 L HA 0.502 4.842 4.340 -0.000 0.000 0.288 14 L C -0.599 176.222 176.870 -0.081 0.000 1.033 14 L CA -1.011 53.774 54.840 -0.092 0.000 0.807 14 L CB 1.322 43.300 42.059 -0.135 0.000 1.209 14 L HN -0.001 nan 8.230 nan 0.000 0.423 15 N N 5.215 123.865 118.700 -0.082 0.000 2.417 15 N HA 0.562 5.302 4.740 -0.000 0.000 0.274 15 N C -0.858 174.598 175.510 -0.090 0.000 0.987 15 N CA -0.373 52.638 53.050 -0.065 0.000 0.912 15 N CB 2.310 40.773 38.487 -0.041 0.000 1.177 15 N HN 0.425 nan 8.380 nan 0.000 0.490 16 L N 2.436 123.605 121.223 -0.090 0.000 2.331 16 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 16 L C 0.286 177.020 176.870 -0.228 0.000 1.022 16 L CA -1.114 53.633 54.840 -0.155 0.000 0.812 16 L CB 1.460 43.428 42.059 -0.153 0.000 1.257 16 L HN 0.425 nan 8.230 nan 0.000 0.435 17 I N -1.320 119.074 120.570 -0.293 0.000 2.656 17 I HA 0.614 4.784 4.170 -0.000 0.000 0.292 17 I C -1.397 174.575 176.117 -0.243 0.000 1.144 17 I CA -0.626 60.560 61.300 -0.190 0.000 1.038 17 I CB 2.193 40.203 38.000 0.016 0.000 1.244 17 I HN 0.593 nan 8.210 nan 0.000 0.420 18 H N 3.124 122.261 119.070 0.112 0.000 2.894 18 H HA 0.596 5.152 4.556 -0.000 0.000 0.368 18 H C -2.838 172.312 175.328 -0.297 0.000 1.181 18 H CA -2.506 53.428 56.048 -0.190 0.000 1.146 18 H CB 1.494 31.117 29.762 -0.232 0.000 1.839 18 H HN 0.388 nan 8.280 nan 0.000 0.557 19 P HA 0.101 nan 4.420 nan 0.000 0.274 19 P C 0.056 176.721 177.300 -1.058 0.000 1.291 19 P CA 0.223 62.852 63.100 -0.786 0.000 0.815 19 P CB 0.501 31.507 31.700 -1.158 0.000 0.897 20 L N 1.876 122.780 121.223 -0.532 0.000 2.537 20 L HA 0.226 4.566 4.340 -0.000 0.000 0.224 20 L C 1.022 177.848 176.870 -0.072 0.000 1.065 20 L CA 0.548 55.185 54.840 -0.338 0.000 0.860 20 L CB 0.312 42.318 42.059 -0.089 0.000 1.086 20 L HN 0.363 nan 8.230 nan 0.000 0.482 21 Q N 0.574 120.377 119.800 0.005 0.000 2.268 21 Q HA 0.306 4.645 4.340 -0.000 0.000 0.266 21 Q C -1.362 174.848 176.000 0.349 0.000 1.006 21 Q CA -0.390 55.570 55.803 0.261 0.000 0.824 21 Q CB 3.048 31.917 28.738 0.218 0.000 1.306 21 Q HN -0.162 nan 8.270 nan 0.000 0.424 22 V N 5.294 125.503 119.914 0.493 0.000 2.529 22 V HA -0.007 4.113 4.120 -0.000 0.000 0.292 22 V C 0.525 176.845 176.094 0.378 0.000 1.028 22 V CA 0.778 63.352 62.300 0.458 0.000 1.074 22 V CB 0.347 32.388 31.823 0.363 0.000 0.958 22 V HN 0.832 nan 8.190 nan 0.000 0.481 23 F N 3.521 123.618 119.950 0.245 0.000 2.500 23 F HA 0.354 4.881 4.527 -0.000 0.000 0.285 23 F C 0.878 176.783 175.800 0.175 0.000 1.088 23 F CA 0.641 58.755 58.000 0.190 0.000 1.432 23 F CB 0.523 39.629 39.000 0.177 0.000 1.131 23 F HN 0.577 nan 8.300 nan 0.000 0.582 24 E N 0.401 120.654 120.200 0.089 0.000 2.380 24 E HA 0.461 4.811 4.350 -0.000 0.000 0.281 24 E C -2.131 174.600 176.600 0.218 0.000 0.999 24 E CA -0.669 55.722 56.400 -0.015 0.000 0.800 24 E CB 2.141 31.737 29.700 -0.174 0.000 1.228 24 E HN -0.138 nan 8.360 nan 0.000 0.436 25 V N 2.875 122.866 119.914 0.130 0.000 2.604 25 V HA 0.563 4.683 4.120 -0.000 0.000 0.305 25 V C -0.478 175.696 176.094 0.135 0.000 1.043 25 V CA -0.559 61.829 62.300 0.148 0.000 0.888 25 V CB 1.694 33.570 31.823 0.088 0.000 0.995 25 V HN 0.713 nan 8.190 nan 0.000 0.429 26 E N 2.910 123.206 120.200 0.160 0.000 2.356 26 E HA 0.488 4.837 4.350 -0.000 0.000 0.275 26 E C -1.424 175.249 176.600 0.122 0.000 0.904 26 E CA -0.719 55.766 56.400 0.141 0.000 0.757 26 E CB 2.516 32.337 29.700 0.202 0.000 1.232 26 E HN 0.727 nan 8.360 nan 0.000 0.442 27 Q N 2.628 122.489 119.800 0.101 0.000 2.293 27 Q HA 0.273 4.613 4.340 -0.000 0.000 0.261 27 Q C -1.188 174.867 176.000 0.090 0.000 0.960 27 Q CA -0.353 55.512 55.803 0.103 0.000 0.882 27 Q CB 1.400 30.192 28.738 0.090 0.000 1.275 27 Q HN 0.477 nan 8.270 nan 0.000 0.445 28 Q N 3.783 123.639 119.800 0.092 0.000 2.907 28 Q HA 0.181 4.521 4.340 -0.000 0.000 0.262 28 Q C -1.452 174.590 176.000 0.070 0.000 0.997 28 Q CA -0.450 55.395 55.803 0.070 0.000 0.797 28 Q CB 0.954 29.724 28.738 0.053 0.000 1.228 28 Q HN 0.774 nan 8.270 nan 0.000 0.466 29 D N 2.834 123.277 120.400 0.072 0.000 4.075 29 D HA -0.211 4.429 4.640 -0.000 0.000 0.228 29 D C 0.160 176.524 176.300 0.106 0.000 1.057 29 D CA 0.799 54.843 54.000 0.073 0.000 1.199 29 D CB -0.218 40.611 40.800 0.049 0.000 0.777 29 D HN 0.787 nan 8.370 nan 0.000 0.388 30 N N 0.148 118.931 118.700 0.138 0.000 2.900 30 N HA -0.241 4.499 4.740 -0.000 0.000 0.240 30 N C 0.178 175.902 175.510 0.355 0.000 0.953 30 N CA 1.929 55.104 53.050 0.209 0.000 0.950 30 N CB -0.463 38.125 38.487 0.169 0.000 1.102 30 N HN 0.679 nan 8.380 nan 0.000 0.593 34 V N 4.686 124.592 119.914 -0.013 0.000 2.483 34 V HA 0.546 4.666 4.120 -0.000 0.000 0.297 34 V C -1.252 174.843 176.094 0.000 0.000 1.027 34 V CA -0.725 61.644 62.300 0.116 0.000 0.855 34 V CB 1.929 33.946 31.823 0.324 0.000 0.995 34 V HN 0.764 nan 8.190 nan 0.000 0.424 35 Y N 2.944 123.407 120.300 0.270 0.000 2.326 35 Y HA 0.720 5.270 4.550 -0.000 0.000 0.337 35 Y C 0.501 176.598 175.900 0.328 0.000 1.023 35 Y CA -0.389 57.883 58.100 0.286 0.000 1.143 35 Y CB 1.734 40.395 38.460 0.333 0.000 1.183 35 Y HN 0.709 nan 8.280 nan 0.000 0.485 36 A N 2.393 125.439 122.820 0.377 0.000 2.356 36 A HA 0.865 5.185 4.320 -0.000 0.000 0.310 36 A C -0.785 176.921 177.584 0.203 0.000 1.075 36 A CA -0.669 51.524 52.037 0.261 0.000 0.746 36 A CB 0.633 19.646 19.000 0.022 0.000 1.221 36 A HN 0.800 nan 8.150 nan 0.000 0.443 37 A N 3.440 126.353 122.820 0.155 0.000 2.293 37 A HA 0.774 5.094 4.320 -0.000 0.000 0.302 37 A C -1.679 175.948 177.584 0.071 0.000 1.119 37 A CA -1.626 50.467 52.037 0.093 0.000 0.823 37 A CB 0.405 19.442 19.000 0.061 0.000 1.097 37 A HN 0.574 nan 8.150 nan 0.000 0.491 38 P HA 0.042 nan 4.420 nan 0.000 0.245 38 P C -0.042 177.281 177.300 0.038 0.000 1.212 38 P CA 0.578 63.728 63.100 0.083 0.000 0.774 38 P CB 0.032 31.788 31.700 0.093 0.000 0.999 39 R N -2.166 118.347 120.500 0.023 0.000 2.766 39 R HA 0.422 4.761 4.340 -0.000 0.000 0.270 39 R C -1.209 175.107 176.300 0.027 0.000 1.035 39 R CA -0.866 55.234 56.100 0.000 0.000 0.911 39 R CB -0.247 30.024 30.300 -0.049 0.000 1.243 39 R HN -0.373 nan 8.270 nan 0.000 0.460 40 D N 0.878 121.282 120.400 0.007 0.000 2.472 40 D HA 0.050 4.690 4.640 -0.000 0.000 0.248 40 D C -0.487 175.925 176.300 0.187 0.000 1.174 40 D CA 0.381 54.437 54.000 0.093 0.000 0.883 40 D CB 1.488 42.318 40.800 0.051 0.000 1.149 40 D HN 0.372 nan 8.370 nan 0.000 0.488 41 V N 5.769 125.854 119.914 0.285 0.000 3.017 41 V HA 0.168 4.288 4.120 -0.000 0.000 0.354 41 V C 1.554 177.869 176.094 0.369 0.000 1.389 41 V CA -0.217 62.281 62.300 0.331 0.000 1.163 41 V CB -0.293 31.616 31.823 0.143 0.000 1.178 41 V HN 0.508 nan 8.190 nan 0.000 0.547 42 R N 0.336 121.069 120.500 0.388 0.000 2.092 42 R HA 0.065 4.405 4.340 -0.000 0.000 0.231 42 R C 0.434 176.810 176.300 0.127 0.000 1.119 42 R CA 0.805 57.063 56.100 0.263 0.000 0.970 42 R CB 0.136 30.576 30.300 0.233 0.000 0.864 42 R HN 0.459 nan 8.270 nan 0.000 0.440 43 E N 1.077 121.277 120.200 -0.001 0.000 2.229 43 E HA 0.060 4.410 4.350 -0.000 0.000 0.283 43 E C 0.501 176.975 176.600 -0.211 0.000 1.030 43 E CA -0.050 56.133 56.400 -0.363 0.000 0.836 43 E CB 1.142 30.102 29.700 -1.234 0.000 1.068 43 E HN 0.166 nan 8.360 nan 0.000 0.401 44 R N 0.619 121.038 120.500 -0.136 0.000 2.200 44 R HA -0.124 4.215 4.340 -0.000 0.000 0.234 44 R C 1.919 178.171 176.300 -0.080 0.000 1.127 44 R CA 1.740 57.809 56.100 -0.051 0.000 0.989 44 R CB -0.348 29.932 30.300 -0.034 0.000 0.869 44 R HN 0.544 nan 8.270 nan 0.000 0.459 45 T N -2.868 111.555 114.554 -0.218 0.000 3.072 45 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 45 T C 1.032 175.747 174.700 0.026 0.000 1.127 45 T CA 0.375 62.377 62.100 -0.162 0.000 1.107 45 T CB 0.030 68.733 68.868 -0.275 0.000 0.910 45 T HN 0.334 nan 8.240 nan 0.000 0.513 46 W N 1.445 122.750 121.300 0.008 0.000 2.998 46 W HA 0.387 5.047 4.660 -0.000 0.000 0.336 46 W C 0.688 177.188 176.519 -0.031 0.000 1.112 46 W CA -0.984 56.359 57.345 -0.003 0.000 1.682 46 W CB -0.373 29.094 29.460 0.011 0.000 1.065 46 W HN 0.380 nan 8.180 nan 0.000 0.570 47 Q N 1.913 121.799 119.800 0.143 0.000 3.151 47 Q HA 0.248 4.588 4.340 -0.000 0.000 0.277 47 Q C -0.491 175.492 176.000 -0.027 0.000 1.343 47 Q CA 0.423 56.227 55.803 0.002 0.000 0.925 47 Q CB -0.973 27.751 28.738 -0.024 0.000 1.771 47 Q HN 0.102 nan 8.270 nan 0.000 0.514 48 L N -4.185 117.041 121.223 0.004 0.000 3.055 48 L HA 0.368 4.708 4.340 -0.000 0.000 0.260 48 L C -0.687 176.190 176.870 0.011 0.000 0.986 48 L CA -0.967 53.868 54.840 -0.008 0.000 1.009 48 L CB 0.785 42.848 42.059 0.006 0.000 1.508 48 L HN 0.056 nan 8.230 nan 0.000 0.407 49 D N -1.016 119.382 120.400 -0.003 0.000 2.746 49 D HA -0.071 4.569 4.640 -0.000 0.000 0.236 49 D C -0.362 175.935 176.300 -0.005 0.000 1.129 49 D CA 2.040 56.041 54.000 0.002 0.000 0.691 49 D CB -0.598 40.212 40.800 0.016 0.000 1.077 49 D HN 1.255 nan 8.370 nan 0.000 0.432 50 T N -1.457 113.086 114.554 -0.018 0.000 2.885 50 T HA 0.602 4.952 4.350 -0.000 0.000 0.322 50 T C -2.654 172.023 174.700 -0.038 0.000 1.387 50 T CA -1.181 60.904 62.100 -0.026 0.000 1.041 50 T CB 1.359 70.209 68.868 -0.031 0.000 1.287 50 T HN -0.116 nan 8.240 nan 0.000 0.491 51 P HA 0.637 nan 4.420 nan 0.000 0.274 51 P C -1.491 175.730 177.300 -0.130 0.000 1.256 51 P CA -0.679 62.367 63.100 -0.089 0.000 0.795 51 P CB 0.414 32.017 31.700 -0.162 0.000 1.038 52 L N 0.585 121.703 121.223 -0.175 0.000 2.505 52 L HA 0.482 4.821 4.340 -0.000 0.000 0.266 52 L C -1.594 175.192 176.870 -0.140 0.000 0.954 52 L CA -0.346 54.439 54.840 -0.091 0.000 0.852 52 L CB 0.951 43.008 42.059 -0.003 0.000 1.282 52 L HN 0.124 nan 8.230 nan 0.000 0.403 53 F N 2.238 122.222 119.950 0.057 0.000 2.385 53 F HA 0.622 5.149 4.527 -0.000 0.000 0.336 53 F C 0.680 176.514 175.800 0.056 0.000 1.100 53 F CA -0.109 57.913 58.000 0.036 0.000 1.116 53 F CB 1.933 40.910 39.000 -0.038 0.000 1.166 53 F HN 0.367 nan 8.300 nan 0.000 0.511 54 T N 4.940 119.613 114.554 0.198 0.000 2.809 54 T HA 0.556 4.905 4.350 -0.000 0.000 0.296 54 T C -0.704 173.971 174.700 -0.042 0.000 1.015 54 T CA -0.487 61.602 62.100 -0.017 0.000 0.954 54 T CB 0.422 69.261 68.868 -0.048 0.000 0.950 54 T HN 0.157 nan 8.240 nan 0.000 0.450 55 L N 3.438 124.604 121.223 -0.095 0.000 2.296 55 L HA 0.612 4.951 4.340 -0.000 0.000 0.286 55 L C 0.354 177.036 176.870 -0.312 0.000 1.023 55 L CA -0.457 54.273 54.840 -0.184 0.000 0.812 55 L CB 1.282 43.298 42.059 -0.072 0.000 1.223 55 L HN 0.403 nan 8.230 nan 0.000 0.421 56 R N 2.731 122.975 120.500 -0.428 0.000 2.480 56 R HA 0.621 4.961 4.340 -0.000 0.000 0.306 56 R C -1.631 174.376 176.300 -0.489 0.000 0.958 56 R CA -0.498 55.411 56.100 -0.317 0.000 0.861 56 R CB 0.942 31.131 30.300 -0.184 0.000 1.171 56 R HN 0.369 nan 8.270 nan 0.000 0.445 57 F N 5.791 125.641 119.950 -0.166 0.000 2.458 57 F HA 0.546 5.073 4.527 -0.000 0.000 0.336 57 F C -0.256 175.134 175.800 -0.682 0.000 1.114 57 F CA -0.475 57.232 58.000 -0.489 0.000 0.987 57 F CB 1.350 39.923 39.000 -0.711 0.000 1.130 57 F HN 0.463 nan 8.300 nan 0.000 0.458 58 F N -0.482 119.081 119.950 -0.645 0.000 2.779 58 F HA 0.725 5.252 4.527 -0.000 0.000 0.316 58 F C -1.069 174.807 175.800 0.127 0.000 1.164 58 F CA -1.200 56.623 58.000 -0.295 0.000 0.924 58 F CB 1.625 40.580 39.000 -0.076 0.000 1.348 58 F HN 0.257 nan 8.300 nan 0.000 0.467 59 S N 0.681 116.624 115.700 0.405 0.000 2.605 59 S HA 0.605 5.075 4.470 -0.000 0.000 0.308 59 S C -2.437 172.273 174.600 0.184 0.000 1.113 59 S CA -1.423 56.914 58.200 0.229 0.000 1.049 59 S CB 1.718 65.083 63.200 0.275 0.000 1.001 59 S HN 0.505 nan 8.310 nan 0.000 0.480 60 P HA 0.204 nan 4.420 nan 0.000 0.228 60 P C -0.439 176.786 177.300 -0.125 0.000 1.166 60 P CA 0.562 63.645 63.100 -0.028 0.000 0.812 60 P CB 0.288 31.831 31.700 -0.262 0.000 0.857 61 Q N -1.152 118.519 119.800 -0.215 0.000 2.534 61 Q HA 0.189 4.529 4.340 -0.000 0.000 0.290 61 Q C -0.676 175.256 176.000 -0.113 0.000 0.991 61 Q CA -0.745 54.961 55.803 -0.161 0.000 0.783 61 Q CB 1.513 30.109 28.738 -0.237 0.000 1.470 61 Q HN -0.012 nan 8.270 nan 0.000 0.406 62 E N 0.074 120.231 120.200 -0.071 0.000 2.414 62 E HA 0.182 4.531 4.350 -0.000 0.000 0.263 62 E C 0.537 177.105 176.600 -0.054 0.000 1.000 62 E CA 1.454 57.824 56.400 -0.050 0.000 0.914 62 E CB 0.355 30.032 29.700 -0.038 0.000 0.948 62 E HN 0.805 nan 8.360 nan 0.000 0.444 63 G N 4.042 112.822 108.800 -0.033 0.000 2.159 63 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.256 63 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.256 63 G C 0.254 175.146 174.900 -0.013 0.000 0.977 63 G CA 0.348 45.439 45.100 -0.015 0.000 0.652 63 G HN 0.498 nan 8.290 nan 0.000 0.531 64 I N 0.675 121.218 120.570 -0.044 0.000 2.447 64 I HA 0.495 4.665 4.170 -0.000 0.000 0.287 64 I C -0.237 175.891 176.117 0.017 0.000 1.023 64 I CA -1.139 60.125 61.300 -0.060 0.000 1.083 64 I CB 2.233 40.058 38.000 -0.292 0.000 1.245 64 I HN -0.130 nan 8.210 nan 0.000 0.434 65 V N 5.008 124.976 119.914 0.090 0.000 2.417 65 V HA 0.592 4.712 4.120 -0.000 0.000 0.291 65 V C 0.555 176.625 176.094 -0.040 0.000 1.024 65 V CA -0.451 61.924 62.300 0.126 0.000 0.861 65 V CB 1.662 33.667 31.823 0.304 0.000 0.985 65 V HN 0.884 nan 8.190 nan 0.000 0.436 66 G N 3.397 111.953 108.800 -0.407 0.000 2.389 66 G HA2 0.623 4.583 3.960 -0.000 0.000 0.328 66 G HA3 0.623 4.583 3.960 -0.000 0.000 0.328 66 G C -1.092 173.255 174.900 -0.922 0.000 1.133 66 G CA -0.429 44.071 45.100 -1.000 0.000 0.891 66 G HN 0.570 nan 8.290 nan 0.000 0.485 67 V N 1.861 121.219 119.914 -0.927 0.000 2.525 67 V HA 0.547 4.667 4.120 -0.000 0.000 0.299 67 V C -0.047 175.692 176.094 -0.592 0.000 1.034 67 V CA -0.911 60.909 62.300 -0.801 0.000 0.863 67 V CB 1.676 32.990 31.823 -0.848 0.000 0.999 67 V HN 0.817 nan 8.190 nan 0.000 0.423 68 R N 4.945 125.231 120.500 -0.357 0.000 2.360 68 R HA 0.688 5.028 4.340 -0.000 0.000 0.318 68 R C -1.447 174.802 176.300 -0.085 0.000 0.950 68 R CA -0.555 55.486 56.100 -0.098 0.000 0.837 68 R CB 1.205 31.502 30.300 -0.005 0.000 1.165 68 R HN 0.748 nan 8.270 nan 0.000 0.458 69 I N 3.986 124.594 120.570 0.064 0.000 2.355 69 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 69 I C -0.267 175.996 176.117 0.243 0.000 0.999 69 I CA -0.536 60.827 61.300 0.105 0.000 1.163 69 I CB 1.818 39.867 38.000 0.081 0.000 1.316 69 I HN 0.500 nan 8.210 nan 0.000 0.454 70 E N 4.371 124.711 120.200 0.233 0.000 2.195 70 E HA 0.317 4.667 4.350 -0.000 0.000 0.271 70 E C -0.098 176.646 176.600 0.241 0.000 0.923 70 E CA -0.532 56.020 56.400 0.253 0.000 0.790 70 E CB 2.679 32.459 29.700 0.134 0.000 1.155 70 E HN 0.590 nan 8.360 nan 0.000 0.402 71 H N 2.730 121.810 119.070 0.018 0.000 2.429 71 H HA 0.218 4.774 4.556 -0.000 0.000 0.303 71 H C -0.322 174.964 175.328 -0.071 0.000 1.201 71 H CA 0.020 55.874 56.048 -0.324 0.000 1.776 71 H CB 0.498 29.790 29.762 -0.782 0.000 1.505 71 H HN 0.318 nan 8.280 nan 0.000 0.631 72 F N 2.093 121.813 119.950 -0.383 0.000 2.415 72 F HA 0.276 4.803 4.527 -0.000 0.000 0.348 72 F C 1.021 176.760 175.800 -0.101 0.000 1.119 72 F CA -0.637 57.167 58.000 -0.327 0.000 1.069 72 F CB 1.777 40.580 39.000 -0.328 0.000 1.124 72 F HN 0.375 nan 8.300 nan 0.000 0.472 73 Q N 1.681 121.532 119.800 0.084 0.000 2.360 73 Q HA 0.110 4.450 4.340 -0.000 0.000 0.202 73 Q C 1.761 177.770 176.000 0.014 0.000 0.915 73 Q CA 0.383 56.206 55.803 0.034 0.000 0.943 73 Q CB 0.381 29.114 28.738 -0.008 0.000 1.064 73 Q HN 0.972 nan 8.270 nan 0.000 0.511 74 G N 0.438 109.236 108.800 -0.003 0.000 2.985 74 G HA2 0.275 4.235 3.960 -0.000 0.000 0.209 74 G HA3 0.275 4.235 3.960 -0.000 0.000 0.209 74 G C 0.389 175.305 174.900 0.027 0.000 1.165 74 G CA 0.161 45.246 45.100 -0.025 0.000 0.776 74 G HN 0.302 nan 8.290 nan 0.000 0.541 75 A N 0.234 123.106 122.820 0.087 0.000 2.386 75 A HA 0.530 4.850 4.320 -0.000 0.000 0.248 75 A C 1.483 179.123 177.584 0.094 0.000 1.082 75 A CA -0.528 51.576 52.037 0.112 0.000 0.789 75 A CB 0.543 19.646 19.000 0.171 0.000 1.025 75 A HN 0.056 nan 8.150 nan 0.000 0.490 76 L N 1.151 122.428 121.223 0.090 0.000 1.971 76 L HA -0.166 4.174 4.340 -0.000 0.000 0.215 76 L C 0.675 177.609 176.870 0.107 0.000 1.072 76 L CA 1.851 56.741 54.840 0.083 0.000 0.758 76 L CB -1.592 40.515 42.059 0.079 0.000 0.889 76 L HN 0.878 nan 8.230 nan 0.000 0.433 77 N N 0.902 119.692 118.700 0.149 0.000 2.708 77 N HA -0.209 4.530 4.740 -0.000 0.000 0.255 77 N C 0.294 175.922 175.510 0.195 0.000 1.046 77 N CA 0.721 53.896 53.050 0.207 0.000 0.715 77 N CB -1.487 37.123 38.487 0.204 0.000 0.895 77 N HN 0.593 nan 8.380 nan 0.000 0.545 78 N N 0.111 118.892 118.700 0.134 0.000 2.483 78 N HA 0.497 5.237 4.740 -0.000 0.000 0.271 78 N C 1.090 176.583 175.510 -0.029 0.000 1.350 78 N CA -0.059 53.037 53.050 0.077 0.000 0.886 78 N CB -0.172 38.353 38.487 0.064 0.000 1.106 78 N HN 0.387 nan 8.380 nan 0.000 0.441 79 G N 0.836 109.599 108.800 -0.062 0.000 2.977 79 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.308 79 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.308 79 G C -2.607 172.049 174.900 -0.407 0.000 1.491 79 G CA -0.751 44.255 45.100 -0.156 0.000 0.971 79 G HN 0.387 nan 8.290 nan 0.000 0.557 80 P HA 0.326 nan 4.420 nan 0.000 0.276 80 P C -0.609 176.222 177.300 -0.781 0.000 1.244 80 P CA -0.086 62.688 63.100 -0.544 0.000 0.801 80 P CB 0.853 32.307 31.700 -0.411 0.000 1.006 81 H N -0.427 118.435 119.070 -0.346 0.000 2.731 81 H HA 0.294 4.849 4.556 -0.000 0.000 0.368 81 H C -0.036 175.083 175.328 -0.349 0.000 1.168 81 H CA -0.534 55.327 56.048 -0.312 0.000 1.181 81 H CB 0.555 30.233 29.762 -0.140 0.000 1.743 81 H HN 0.430 nan 8.280 nan 0.000 0.547 82 Y N 1.871 122.086 120.300 -0.142 0.000 2.578 82 Y HA 0.016 4.566 4.550 -0.000 0.000 0.339 82 Y C -1.290 174.464 175.900 -0.242 0.000 1.231 82 Y CA -1.523 56.438 58.100 -0.232 0.000 1.461 82 Y CB 0.516 38.870 38.460 -0.177 0.000 1.323 82 Y HN 0.329 nan 8.280 nan 0.000 0.590 83 P HA 0.060 nan 4.420 nan 0.000 0.230 83 P C -1.001 176.149 177.300 -0.249 0.000 1.791 83 P CA -0.012 62.979 63.100 -0.182 0.000 1.020 83 P CB -0.210 31.331 31.700 -0.265 0.000 1.977 84 L N 2.651 123.725 121.223 -0.248 0.000 2.371 84 L HA 0.248 4.588 4.340 -0.000 0.000 0.272 84 L C 0.923 177.681 176.870 -0.187 0.000 1.124 84 L CA 0.191 54.782 54.840 -0.416 0.000 0.816 84 L CB -0.007 41.774 42.059 -0.463 0.000 1.129 84 L HN 0.130 nan 8.230 nan 0.000 0.448 85 N N 4.494 123.111 118.700 -0.139 0.000 2.437 85 N HA 0.320 5.060 4.740 -0.000 0.000 0.243 85 N C -0.623 174.983 175.510 0.160 0.000 1.041 85 N CA -0.026 53.036 53.050 0.019 0.000 0.940 85 N CB 0.988 39.479 38.487 0.007 0.000 1.133 85 N HN 0.423 nan 8.380 nan 0.000 0.506 86 I N 3.634 124.279 120.570 0.125 0.000 2.330 86 I HA 0.186 4.355 4.170 -0.000 0.000 0.286 86 I C -0.104 176.072 176.117 0.099 0.000 1.025 86 I CA -0.710 60.685 61.300 0.159 0.000 1.197 86 I CB 1.001 39.106 38.000 0.176 0.000 1.358 86 I HN 0.087 nan 8.210 nan 0.000 0.467 87 L N 6.127 127.399 121.223 0.080 0.000 2.436 87 L HA 0.206 4.546 4.340 -0.000 0.000 0.265 87 L C 1.140 178.056 176.870 0.077 0.000 1.168 87 L CA 0.325 55.200 54.840 0.058 0.000 0.815 87 L CB 0.932 43.012 42.059 0.035 0.000 1.109 87 L HN 0.636 nan 8.230 nan 0.000 0.462 88 Q N 0.638 120.475 119.800 0.061 0.000 2.246 88 Q HA 0.035 4.375 4.340 -0.000 0.000 0.222 88 Q C 0.515 176.553 176.000 0.063 0.000 0.851 88 Q CA 0.199 56.041 55.803 0.066 0.000 0.945 88 Q CB 0.874 29.640 28.738 0.046 0.000 1.122 88 Q HN 0.733 nan 8.270 nan 0.000 0.508 89 D N -0.461 119.969 120.400 0.050 0.000 2.395 89 D HA 0.025 4.664 4.640 -0.000 0.000 0.213 89 D C 0.326 176.650 176.300 0.039 0.000 1.110 89 D CA -0.208 53.816 54.000 0.041 0.000 0.835 89 D CB 0.388 41.204 40.800 0.027 0.000 0.965 89 D HN -0.210 nan 8.370 nan 0.000 0.505 90 V N 1.425 121.369 119.914 0.050 0.000 2.644 90 V HA -0.112 4.007 4.120 -0.000 0.000 0.305 90 V C 0.753 176.864 176.094 0.028 0.000 1.053 90 V CA 0.088 62.410 62.300 0.037 0.000 1.186 90 V CB 0.204 32.059 31.823 0.054 0.000 0.895 90 V HN 0.107 nan 8.190 nan 0.000 0.490 91 K N 6.139 126.539 120.400 -0.000 0.000 2.349 91 K HA 0.431 4.751 4.320 -0.000 0.000 0.289 91 K C -0.557 176.008 176.600 -0.059 0.000 1.064 91 K CA -0.097 56.178 56.287 -0.020 0.000 0.947 91 K CB 0.597 33.083 32.500 -0.024 0.000 1.007 91 K HN 0.610 nan 8.250 nan 0.000 0.478 92 V N 0.251 120.113 119.914 -0.085 0.000 3.158 92 V HA 0.731 4.851 4.120 -0.000 0.000 0.311 92 V C -0.604 175.362 176.094 -0.214 0.000 1.181 92 V CA -0.764 61.405 62.300 -0.218 0.000 1.054 92 V CB 2.069 33.674 31.823 -0.364 0.000 1.085 92 V HN 0.613 nan 8.190 nan 0.000 0.446 93 T N 1.989 116.345 114.554 -0.330 0.000 2.848 93 T HA 0.718 5.068 4.350 -0.000 0.000 0.285 93 T C -0.737 173.826 174.700 -0.228 0.000 0.995 93 T CA -0.120 61.851 62.100 -0.214 0.000 0.970 93 T CB 0.987 69.759 68.868 -0.160 0.000 0.976 93 T HN 0.659 nan 8.240 nan 0.000 0.441 94 I N 2.953 123.473 120.570 -0.082 0.000 2.410 94 I HA 0.396 4.566 4.170 -0.000 0.000 0.286 94 I C -0.064 176.054 176.117 0.002 0.000 1.009 94 I CA -0.602 60.703 61.300 0.008 0.000 1.111 94 I CB 1.837 39.901 38.000 0.107 0.000 1.262 94 I HN 0.539 nan 8.210 nan 0.000 0.443 95 E N 5.992 126.194 120.200 0.003 0.000 2.186 95 E HA 0.257 4.607 4.350 -0.000 0.000 0.255 95 E C -1.132 175.433 176.600 -0.058 0.000 0.881 95 E CA -0.618 55.770 56.400 -0.020 0.000 0.752 95 E CB 1.119 30.823 29.700 0.008 0.000 1.176 95 E HN 0.465 nan 8.360 nan 0.000 0.421 96 N N 3.460 122.113 118.700 -0.080 0.000 2.501 96 N HA 0.185 4.925 4.740 -0.000 0.000 0.245 96 N C -1.007 174.393 175.510 -0.183 0.000 0.974 96 N CA -0.165 52.819 53.050 -0.110 0.000 0.941 96 N CB 1.235 39.695 38.487 -0.044 0.000 1.122 96 N HN 0.520 nan 8.380 nan 0.000 0.507 97 T N -0.292 114.064 114.554 -0.331 0.000 2.937 97 T HA 0.309 4.659 4.350 -0.000 0.000 0.283 97 T C 1.155 175.708 174.700 -0.244 0.000 1.012 97 T CA -0.593 61.296 62.100 -0.351 0.000 0.997 97 T CB 1.034 69.520 68.868 -0.637 0.000 1.136 97 T HN 0.509 nan 8.240 nan 0.000 0.551 98 E N -0.061 120.035 120.200 -0.173 0.000 2.208 98 E HA -0.074 4.276 4.350 -0.000 0.000 0.193 98 E C 1.814 178.376 176.600 -0.063 0.000 0.988 98 E CA 0.190 56.535 56.400 -0.092 0.000 0.828 98 E CB 0.030 29.695 29.700 -0.058 0.000 0.763 98 E HN 0.306 nan 8.360 nan 0.000 0.478 99 R N 0.004 120.449 120.500 -0.091 0.000 2.189 99 R HA 0.144 4.484 4.340 -0.000 0.000 0.203 99 R C 0.051 176.412 176.300 0.103 0.000 1.012 99 R CA 0.629 56.745 56.100 0.027 0.000 1.015 99 R CB 0.093 30.453 30.300 0.101 0.000 0.938 99 R HN 0.401 nan 8.270 nan 0.000 0.472 100 Y N -3.437 116.843 120.300 -0.034 0.000 2.656 100 Y HA 0.720 5.270 4.550 -0.000 0.000 0.334 100 Y C -1.774 174.080 175.900 -0.076 0.000 1.179 100 Y CA -2.086 55.972 58.100 -0.070 0.000 1.050 100 Y CB 0.873 39.278 38.460 -0.090 0.000 1.308 100 Y HN -0.089 nan 8.280 nan 0.000 0.456 101 A N 1.792 124.682 122.820 0.116 0.000 2.319 101 A HA 0.666 4.986 4.320 -0.000 0.000 0.310 101 A C -1.217 176.396 177.584 0.048 0.000 1.152 101 A CA -0.570 51.483 52.037 0.028 0.000 0.783 101 A CB 1.266 20.256 19.000 -0.016 0.000 1.184 101 A HN 0.802 nan 8.150 nan 0.000 0.474 102 E N 2.169 122.419 120.200 0.084 0.000 2.234 102 E HA 0.585 4.935 4.350 -0.000 0.000 0.266 102 E C -1.967 174.638 176.600 0.007 0.000 0.877 102 E CA -0.516 55.889 56.400 0.010 0.000 0.758 102 E CB 1.345 31.102 29.700 0.095 0.000 1.170 102 E HN 0.531 nan 8.360 nan 0.000 0.415 103 F N 4.249 124.071 119.950 -0.213 0.000 2.426 103 F HA 0.474 5.001 4.527 -0.000 0.000 0.348 103 F C -0.932 174.819 175.800 -0.082 0.000 1.124 103 F CA -0.599 57.323 58.000 -0.131 0.000 1.008 103 F CB 1.085 39.990 39.000 -0.160 0.000 1.139 103 F HN 0.328 nan 8.300 nan 0.000 0.452 104 K N 4.095 124.138 120.400 -0.595 0.000 2.397 104 K HA 0.555 4.875 4.320 -0.000 0.000 0.253 104 K C -1.495 174.831 176.600 -0.456 0.000 0.932 104 K CA -0.656 55.403 56.287 -0.380 0.000 0.795 104 K CB 1.792 34.168 32.500 -0.207 0.000 1.159 104 K HN 0.557 nan 8.250 nan 0.000 0.424 105 S N 3.162 118.724 115.700 -0.230 0.000 2.745 105 S HA 0.599 5.069 4.470 -0.000 0.000 0.283 105 S C 0.121 174.681 174.600 -0.068 0.000 1.170 105 S CA 0.493 58.607 58.200 -0.144 0.000 1.119 105 S CB 0.428 63.605 63.200 -0.039 0.000 1.035 105 S HN 1.098 nan 8.310 nan 0.000 0.483 106 G N 5.268 114.026 108.800 -0.070 0.000 2.527 106 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.262 106 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.262 106 G C 0.457 175.334 174.900 -0.040 0.000 1.153 106 G CA 0.271 45.345 45.100 -0.044 0.000 0.954 106 G HN 0.615 nan 8.290 nan 0.000 0.552 107 N N 0.543 119.230 118.700 -0.021 0.000 2.325 107 N HA 0.169 4.909 4.740 -0.000 0.000 0.182 107 N C 0.871 176.378 175.510 -0.006 0.000 1.088 107 N CA 0.272 53.313 53.050 -0.015 0.000 0.879 107 N CB 0.519 39.004 38.487 -0.004 0.000 0.983 107 N HN 0.508 nan 8.380 nan 0.000 0.471 108 L N 1.545 122.771 121.223 0.006 0.000 2.312 108 L HA 0.305 4.645 4.340 -0.000 0.000 0.281 108 L C -0.181 176.710 176.870 0.036 0.000 1.070 108 L CA -0.181 54.683 54.840 0.040 0.000 0.805 108 L CB 0.911 43.013 42.059 0.071 0.000 1.174 108 L HN 0.038 nan 8.230 nan 0.000 0.434 109 S N 3.437 119.167 115.700 0.049 0.000 2.595 109 S HA 0.864 5.334 4.470 -0.000 0.000 0.281 109 S C -0.907 173.701 174.600 0.012 0.000 1.117 109 S CA -0.694 57.517 58.200 0.018 0.000 0.873 109 S CB 1.981 65.143 63.200 -0.063 0.000 1.108 109 S HN 0.835 nan 8.310 nan 0.000 0.477 110 A N 1.539 124.315 122.820 -0.073 0.000 2.311 110 A HA 0.782 5.102 4.320 -0.000 0.000 0.306 110 A C -0.279 177.015 177.584 -0.484 0.000 1.189 110 A CA -0.740 51.063 52.037 -0.389 0.000 0.791 110 A CB 0.817 19.622 19.000 -0.325 0.000 1.172 110 A HN 0.850 nan 8.150 nan 0.000 0.481 111 R N 2.451 122.649 120.500 -0.502 0.000 2.387 111 R HA 0.585 4.925 4.340 -0.000 0.000 0.314 111 R C -1.593 174.431 176.300 -0.459 0.000 0.958 111 R CA -0.329 55.525 56.100 -0.410 0.000 0.846 111 R CB 1.647 31.726 30.300 -0.369 0.000 1.147 111 R HN 0.554 nan 8.270 nan 0.000 0.447 112 V N 3.880 123.549 119.914 -0.408 0.000 2.398 112 V HA 0.344 4.464 4.120 -0.000 0.000 0.286 112 V C -0.485 175.415 176.094 -0.324 0.000 1.026 112 V CA -0.255 61.757 62.300 -0.480 0.000 0.868 112 V CB 1.861 33.434 31.823 -0.416 0.000 0.982 112 V HN 0.877 nan 8.190 nan 0.000 0.443 113 S N 6.096 121.539 115.700 -0.428 0.000 2.545 113 S HA 0.484 4.954 4.470 -0.000 0.000 0.275 113 S C -0.060 174.481 174.600 -0.099 0.000 1.299 113 S CA -0.459 57.628 58.200 -0.188 0.000 1.048 113 S CB 0.381 63.471 63.200 -0.183 0.000 0.938 113 S HN 0.817 nan 8.310 nan 0.000 0.496 114 K N 2.126 122.554 120.400 0.047 0.000 2.177 114 K HA 0.732 5.052 4.320 -0.000 0.000 0.238 114 K C 0.668 177.356 176.600 0.147 0.000 1.015 114 K CA -0.240 56.110 56.287 0.105 0.000 0.922 114 K CB 0.891 33.441 32.500 0.083 0.000 1.127 114 K HN 0.931 nan 8.250 nan 0.000 0.469 115 G N 0.873 109.774 108.800 0.167 0.000 2.660 115 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.215 115 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.215 115 G C 0.193 175.223 174.900 0.216 0.000 1.345 115 G CA -0.116 45.089 45.100 0.175 0.000 0.877 115 G HN 0.586 nan 8.290 nan 0.000 0.549 116 E N -0.779 119.548 120.200 0.211 0.000 2.204 116 E HA 0.082 4.432 4.350 -0.000 0.000 0.195 116 E C 1.154 177.923 176.600 0.282 0.000 0.990 116 E CA 1.130 57.663 56.400 0.222 0.000 0.821 116 E CB 0.041 29.854 29.700 0.188 0.000 0.750 116 E HN 0.401 nan 8.360 nan 0.000 0.477 117 F N 1.698 121.722 119.950 0.124 0.000 2.368 117 F HA 0.166 4.693 4.527 -0.000 0.000 0.362 117 F C -0.290 175.593 175.800 0.139 0.000 1.137 117 F CA -1.278 56.790 58.000 0.113 0.000 1.161 117 F CB 0.281 39.316 39.000 0.057 0.000 1.265 117 F HN -0.041 nan 8.300 nan 0.000 0.530 118 W N 7.453 128.540 121.300 -0.355 0.000 2.315 118 W HA 0.545 5.204 4.660 -0.000 0.000 0.316 118 W C -1.294 174.891 176.519 -0.557 0.000 1.211 118 W CA -0.376 56.773 57.345 -0.326 0.000 1.201 118 W CB 1.491 30.854 29.460 -0.162 0.000 1.184 118 W HN 0.622 nan 8.180 nan 0.000 0.544 119 S N 6.036 120.947 115.700 -1.315 0.000 2.556 119 S HA 0.480 4.950 4.470 -0.000 0.000 0.280 119 S C -1.991 172.052 174.600 -0.929 0.000 1.141 119 S CA -1.031 56.603 58.200 -0.943 0.000 0.883 119 S CB 1.495 64.304 63.200 -0.652 0.000 1.103 119 S HN 0.629 nan 8.310 nan 0.000 0.453 120 L N 2.717 123.597 121.223 -0.571 0.000 2.316 120 L HA 0.606 4.946 4.340 -0.000 0.000 0.280 120 L C -1.556 175.080 176.870 -0.391 0.000 1.006 120 L CA -0.334 54.230 54.840 -0.461 0.000 0.836 120 L CB 0.932 42.884 42.059 -0.178 0.000 1.221 120 L HN 0.799 nan 8.230 nan 0.000 0.418 121 D N 4.616 124.727 120.400 -0.481 0.000 2.350 121 D HA 0.366 5.006 4.640 -0.000 0.000 0.245 121 D C -1.021 174.945 176.300 -0.557 0.000 1.036 121 D CA -0.024 53.751 54.000 -0.374 0.000 0.848 121 D CB 2.197 42.850 40.800 -0.245 0.000 1.307 121 D HN 0.183 nan 8.370 nan 0.000 0.469 122 F N 1.596 121.491 119.950 -0.090 0.000 2.411 122 F HA 0.300 4.826 4.527 -0.000 0.000 0.352 122 F C -0.028 175.706 175.800 -0.109 0.000 1.123 122 F CA -0.798 57.148 58.000 -0.091 0.000 1.044 122 F CB 1.034 39.976 39.000 -0.098 0.000 1.135 122 F HN -0.057 nan 8.300 nan 0.000 0.461 123 L N 3.315 124.550 121.223 0.019 0.000 2.334 123 L HA 0.561 4.901 4.340 -0.000 0.000 0.273 123 L C -0.249 176.627 176.870 0.009 0.000 1.013 123 L CA -0.918 53.913 54.840 -0.015 0.000 0.816 123 L CB 1.797 43.811 42.059 -0.075 0.000 1.278 123 L HN 0.607 nan 8.230 nan 0.000 0.431 124 R N 2.094 122.596 120.500 0.003 0.000 2.358 124 R HA 0.346 4.686 4.340 -0.000 0.000 0.309 124 R C -0.281 176.017 176.300 -0.003 0.000 1.026 124 R CA -0.175 55.932 56.100 0.011 0.000 0.909 124 R CB 0.029 30.346 30.300 0.028 0.000 1.153 124 R HN 0.790 nan 8.270 nan 0.000 0.515 125 N N 3.153 121.845 118.700 -0.013 0.000 2.735 125 N HA -0.239 4.501 4.740 -0.000 0.000 0.248 125 N C 0.565 176.057 175.510 -0.029 0.000 1.083 125 N CA 0.676 53.714 53.050 -0.020 0.000 0.703 125 N CB -0.625 37.856 38.487 -0.011 0.000 1.005 125 N HN 1.050 nan 8.380 nan 0.000 0.550 126 G N -1.216 107.558 108.800 -0.044 0.000 2.253 126 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.251 126 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.251 126 G C -0.209 174.657 174.900 -0.056 0.000 0.998 126 G CA 0.413 45.476 45.100 -0.062 0.000 0.621 126 G HN 0.391 nan 8.290 nan 0.000 0.524 127 E N 1.012 121.193 120.200 -0.032 0.000 2.229 127 E HA 0.339 4.689 4.350 -0.000 0.000 0.283 127 E C 0.594 177.184 176.600 -0.018 0.000 1.030 127 E CA -0.628 55.759 56.400 -0.021 0.000 0.836 127 E CB 1.045 30.743 29.700 -0.002 0.000 1.068 127 E HN 0.447 nan 8.360 nan 0.000 0.401 128 R N 3.382 123.869 120.500 -0.022 0.000 2.421 128 R HA 0.053 4.393 4.340 -0.000 0.000 0.305 128 R C 1.248 177.551 176.300 0.005 0.000 1.039 128 R CA 0.129 56.219 56.100 -0.016 0.000 1.003 128 R CB 0.062 30.350 30.300 -0.020 0.000 0.959 128 R HN 0.591 nan 8.270 nan 0.000 0.427 129 I N -0.527 120.037 120.570 -0.009 0.000 3.708 129 I HA 0.278 4.448 4.170 -0.000 0.000 0.302 129 I C 0.598 176.663 176.117 -0.087 0.000 1.255 129 I CA -0.161 61.123 61.300 -0.028 0.000 1.362 129 I CB 0.770 38.717 38.000 -0.089 0.000 1.100 129 I HN 0.458 nan 8.210 nan 0.000 0.434 130 T N -0.902 113.607 114.554 -0.074 0.000 2.652 130 T HA 0.631 4.981 4.350 -0.000 0.000 0.303 130 T C -1.140 173.658 174.700 0.164 0.000 1.738 130 T CA 0.046 62.143 62.100 -0.006 0.000 0.969 130 T CB 1.219 69.973 68.868 -0.190 0.000 1.778 130 T HN 0.660 nan 8.240 nan 0.000 0.494 131 G N 0.492 109.425 108.800 0.221 0.000 2.313 131 G HA2 0.487 4.447 3.960 -0.000 0.000 0.296 131 G HA3 0.487 4.447 3.960 -0.000 0.000 0.296 131 G C -1.500 173.504 174.900 0.173 0.000 1.356 131 G CA 0.319 45.576 45.100 0.262 0.000 0.833 131 G HN 0.957 nan 8.290 nan 0.000 0.552 132 S N -0.633 115.141 115.700 0.124 0.000 2.478 132 S HA 0.606 5.076 4.470 -0.000 0.000 0.312 132 S C -0.087 174.533 174.600 0.032 0.000 1.094 132 S CA -0.404 57.847 58.200 0.085 0.000 1.081 132 S CB 1.134 64.417 63.200 0.138 0.000 1.007 132 S HN 0.561 nan 8.310 nan 0.000 0.475 133 Q N 1.856 121.667 119.800 0.018 0.000 2.260 133 Q HA 0.383 4.723 4.340 -0.000 0.000 0.238 133 Q C -0.106 175.924 176.000 0.051 0.000 0.948 133 Q CA -0.665 55.137 55.803 -0.002 0.000 0.895 133 Q CB 1.331 30.068 28.738 -0.002 0.000 1.218 133 Q HN 0.602 nan 8.270 nan 0.000 0.470 134 V N 2.633 122.589 119.914 0.070 0.000 2.644 134 V HA -0.149 3.971 4.120 -0.000 0.000 0.305 134 V C 0.173 176.206 176.094 -0.102 0.000 1.053 134 V CA 1.223 63.585 62.300 0.104 0.000 1.186 134 V CB -0.392 31.472 31.823 0.068 0.000 0.895 134 V HN 0.851 nan 8.190 nan 0.000 0.490 135 K N 3.319 123.553 120.400 -0.278 0.000 3.467 135 K HA -0.152 4.168 4.320 -0.000 0.000 0.309 135 K C 0.589 177.007 176.600 -0.304 0.000 1.350 135 K CA 1.079 56.987 56.287 -0.632 0.000 0.934 135 K CB -1.319 30.846 32.500 -0.559 0.000 1.312 135 K HN 0.830 nan 8.250 nan 0.000 0.461 136 N N 1.082 119.702 118.700 -0.132 0.000 2.203 136 N HA 0.014 4.754 4.740 -0.000 0.000 0.207 136 N C -0.413 174.966 175.510 -0.218 0.000 1.130 136 N CA 0.337 53.370 53.050 -0.028 0.000 0.861 136 N CB 0.320 38.792 38.487 -0.024 0.000 1.005 136 N HN 0.465 nan 8.380 nan 0.000 0.507 137 N N -0.738 117.677 118.700 -0.476 0.000 2.525 137 N HA 0.694 5.433 4.740 -0.000 0.000 0.270 137 N C 0.009 174.888 175.510 -1.052 0.000 1.321 137 N CA -0.531 51.918 53.050 -1.002 0.000 0.797 137 N CB 1.660 39.860 38.487 -0.478 0.000 1.529 137 N HN -0.026 nan 8.380 nan 0.000 0.491 138 G N -1.509 106.591 108.800 -1.167 0.000 2.339 138 G HA2 0.200 4.160 3.960 -0.000 0.000 0.275 138 G HA3 0.200 4.160 3.960 -0.000 0.000 0.275 138 G C -2.424 172.474 174.900 -0.003 0.000 1.323 138 G CA -0.910 43.839 45.100 -0.585 0.000 0.927 138 G HN 0.673 nan 8.290 nan 0.000 0.486 139 Y N 0.181 120.549 120.300 0.113 0.000 2.341 139 Y HA 0.670 5.220 4.550 -0.000 0.000 0.337 139 Y C -0.163 175.782 175.900 0.076 0.000 1.014 139 Y CA -0.891 57.269 58.100 0.099 0.000 1.111 139 Y CB 2.022 40.411 38.460 -0.118 0.000 1.194 139 Y HN 0.443 nan 8.280 nan 0.000 0.462 140 V N 6.855 126.592 119.914 -0.295 0.000 2.378 140 V HA 0.267 4.387 4.120 -0.000 0.000 0.288 140 V C -0.615 175.195 176.094 -0.473 0.000 1.016 140 V CA -0.830 61.300 62.300 -0.283 0.000 0.840 140 V CB 1.396 33.130 31.823 -0.149 0.000 0.994 140 V HN 0.747 nan 8.190 nan 0.000 0.431 141 Q N 3.614 123.194 119.800 -0.367 0.000 2.465 141 Q HA 0.217 4.557 4.340 -0.000 0.000 0.237 141 Q C -0.601 175.325 176.000 -0.123 0.000 1.051 141 Q CA -0.513 55.127 55.803 -0.273 0.000 0.874 141 Q CB 0.797 29.439 28.738 -0.160 0.000 1.207 141 Q HN 0.764 nan 8.270 nan 0.000 0.508 142 D N 3.261 123.626 120.400 -0.059 0.000 2.393 142 D HA -0.000 4.640 4.640 -0.000 0.000 0.232 142 D C 0.928 177.218 176.300 -0.016 0.000 1.192 142 D CA -0.019 53.972 54.000 -0.015 0.000 0.882 142 D CB 1.212 42.063 40.800 0.084 0.000 1.038 142 D HN 0.693 nan 8.370 nan 0.000 0.499 143 T N 0.935 115.473 114.554 -0.026 0.000 3.113 143 T HA -0.064 4.286 4.350 -0.000 0.000 0.263 143 T C 1.216 175.909 174.700 -0.011 0.000 1.143 143 T CA 0.327 62.417 62.100 -0.016 0.000 1.090 143 T CB 0.071 68.929 68.868 -0.015 0.000 0.922 143 T HN 0.201 nan 8.240 nan 0.000 0.521 144 N N 3.069 121.760 118.700 -0.014 0.000 2.207 144 N HA -0.052 4.687 4.740 -0.000 0.000 0.182 144 N C 1.425 176.933 175.510 -0.004 0.000 1.020 144 N CA 1.517 54.559 53.050 -0.012 0.000 0.858 144 N CB -0.282 38.192 38.487 -0.022 0.000 0.991 144 N HN 0.747 nan 8.380 nan 0.000 0.427 145 N N 0.112 118.815 118.700 0.005 0.000 2.171 145 N HA 0.016 4.755 4.740 -0.000 0.000 0.212 145 N C -0.346 175.167 175.510 0.005 0.000 1.184 145 N CA 0.089 53.145 53.050 0.010 0.000 0.888 145 N CB 0.231 38.733 38.487 0.025 0.000 1.038 145 N HN -0.191 nan 8.380 nan 0.000 0.517 146 Q N -0.599 119.201 119.800 0.001 0.000 2.494 146 Q HA -0.202 4.137 4.340 -0.000 0.000 0.272 146 Q C -0.843 175.138 176.000 -0.031 0.000 1.145 146 Q CA 0.855 56.653 55.803 -0.008 0.000 0.943 146 Q CB -1.903 26.835 28.738 -0.001 0.000 1.338 146 Q HN 0.653 nan 8.270 nan 0.000 0.492 147 R N -0.030 120.441 120.500 -0.049 0.000 2.787 147 R HA 0.615 4.954 4.340 -0.000 0.000 0.271 147 R C -0.227 175.912 176.300 -0.269 0.000 0.993 147 R CA -0.617 55.380 56.100 -0.171 0.000 0.993 147 R CB 1.117 31.287 30.300 -0.215 0.000 1.155 147 R HN 0.120 nan 8.270 nan 0.000 0.486 148 N N 0.292 118.721 118.700 -0.452 0.000 2.269 148 N HA 0.430 5.170 4.740 -0.000 0.000 0.304 148 N C -1.528 173.582 175.510 -0.667 0.000 1.072 148 N CA -0.538 52.221 53.050 -0.485 0.000 0.802 148 N CB 1.509 39.807 38.487 -0.314 0.000 1.348 148 N HN 0.336 nan 8.380 nan 0.000 0.484 152 E N 1.199 121.105 120.200 -0.489 0.000 2.390 152 E HA 0.653 5.003 4.350 -0.000 0.000 0.277 152 E C -1.881 174.286 176.600 -0.721 0.000 0.939 152 E CA -0.774 55.192 56.400 -0.722 0.000 0.769 152 E CB 2.252 31.432 29.700 -0.867 0.000 1.251 152 E HN 0.744 nan 8.360 nan 0.000 0.450 153 R N 2.944 123.186 120.500 -0.429 0.000 2.468 153 R HA 0.400 4.740 4.340 -0.000 0.000 0.302 153 R C -1.138 175.070 176.300 -0.153 0.000 1.041 153 R CA -1.003 54.942 56.100 -0.258 0.000 0.899 153 R CB 0.938 31.190 30.300 -0.080 0.000 1.167 153 R HN 0.316 nan 8.270 nan 0.000 0.483 154 L N 3.182 124.348 121.223 -0.096 0.000 2.264 154 L HA 0.241 4.580 4.340 -0.000 0.000 0.289 154 L C 0.043 176.969 176.870 0.094 0.000 1.044 154 L CA -0.348 54.533 54.840 0.069 0.000 0.807 154 L CB 0.871 43.052 42.059 0.204 0.000 1.192 154 L HN 0.450 nan 8.230 nan 0.000 0.425 155 D N 2.407 122.862 120.400 0.092 0.000 2.443 155 D HA 0.203 4.843 4.640 -0.000 0.000 0.234 155 D C -0.398 175.972 176.300 0.116 0.000 1.172 155 D CA 0.335 54.383 54.000 0.079 0.000 0.878 155 D CB 0.624 41.465 40.800 0.070 0.000 1.204 155 D HN 0.097 nan 8.370 nan 0.000 0.453 156 L N 0.998 122.268 121.223 0.080 0.000 2.385 156 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 156 L C 0.737 177.645 176.870 0.063 0.000 0.990 156 L CA -0.447 54.443 54.840 0.083 0.000 0.821 156 L CB 1.818 43.893 42.059 0.027 0.000 1.279 156 L HN 0.425 nan 8.230 nan 0.000 0.412 157 G N 2.213 111.060 108.800 0.078 0.000 2.543 157 G HA2 0.471 4.431 3.960 -0.000 0.000 0.290 157 G HA3 0.471 4.431 3.960 -0.000 0.000 0.290 157 G C -0.679 174.244 174.900 0.038 0.000 1.310 157 G CA -0.614 44.521 45.100 0.058 0.000 1.025 157 G HN 0.357 nan 8.290 nan 0.000 0.502 158 V N 0.813 120.747 119.914 0.033 0.000 2.529 158 V HA 0.391 4.511 4.120 -0.000 0.000 0.292 158 V C 1.609 177.721 176.094 0.029 0.000 1.028 158 V CA 1.553 63.869 62.300 0.026 0.000 1.074 158 V CB 0.295 32.132 31.823 0.023 0.000 0.958 158 V HN 1.756 nan 8.190 nan 0.000 0.481 159 G N 3.646 112.463 108.800 0.028 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 0.209 175.117 174.900 0.014 0.000 0.977 159 G CA 0.439 45.560 45.100 0.035 0.000 0.659 159 G HN 0.818 nan 8.290 nan 0.000 0.533 160 E N 1.601 121.805 120.200 0.007 0.000 2.223 160 E HA 0.478 4.827 4.350 -0.000 0.000 0.282 160 E C 0.812 177.366 176.600 -0.077 0.000 1.046 160 E CA 0.275 56.669 56.400 -0.011 0.000 0.857 160 E CB 0.328 30.046 29.700 0.029 0.000 1.055 160 E HN 0.401 nan 8.360 nan 0.000 0.409 161 T N 0.374 114.846 114.554 -0.138 0.000 2.925 161 T HA 0.550 4.900 4.350 -0.000 0.000 0.285 161 T C -0.210 174.234 174.700 -0.427 0.000 1.021 161 T CA -0.914 60.989 62.100 -0.329 0.000 1.042 161 T CB 1.561 70.123 68.868 -0.510 0.000 1.037 161 T HN 0.135 nan 8.240 nan 0.000 0.481 162 V N 2.587 122.139 119.914 -0.603 0.000 2.513 162 V HA 0.585 4.705 4.120 -0.000 0.000 0.299 162 V C -1.216 174.430 176.094 -0.747 0.000 1.035 162 V CA -0.875 61.112 62.300 -0.521 0.000 0.889 162 V CB 0.799 32.360 31.823 -0.437 0.000 0.988 162 V HN 0.949 nan 8.190 nan 0.000 0.440 163 Y N 1.555 121.733 120.300 -0.204 0.000 2.576 163 Y HA 0.886 5.436 4.550 -0.000 0.000 0.346 163 Y C 0.755 176.534 175.900 -0.202 0.000 1.018 163 Y CA 0.197 58.179 58.100 -0.197 0.000 1.050 163 Y CB 2.367 40.718 38.460 -0.182 0.000 1.280 163 Y HN 0.994 nan 8.280 nan 0.000 0.474 164 G N 0.275 109.055 108.800 -0.033 0.000 2.460 164 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.207 164 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.207 164 G C -0.709 174.101 174.900 -0.150 0.000 1.170 164 G CA -0.420 44.629 45.100 -0.085 0.000 1.151 164 G HN 1.061 nan 8.290 nan 0.000 0.575 165 L N 0.041 121.171 121.223 -0.154 0.000 4.496 165 L HA 0.020 4.360 4.340 -0.000 0.000 0.419 165 L C 1.735 178.533 176.870 -0.120 0.000 1.139 165 L CA 2.918 57.638 54.840 -0.200 0.000 0.975 165 L CB -2.131 39.729 42.059 -0.330 0.000 2.099 165 L HN 2.984 nan 8.230 nan 0.000 0.818 166 G N -0.603 108.133 108.800 -0.106 0.000 2.526 166 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.250 166 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.250 166 G C -0.208 174.531 174.900 -0.269 0.000 1.289 166 G CA -0.007 44.998 45.100 -0.158 0.000 0.947 166 G HN 0.443 nan 8.290 nan 0.000 0.517 167 E N 1.025 121.026 120.200 -0.332 0.000 1.865 167 E HA 0.367 4.717 4.350 -0.000 0.000 0.269 167 E C 0.707 176.925 176.600 -0.636 0.000 1.177 167 E CA -0.211 55.917 56.400 -0.454 0.000 0.932 167 E CB -0.073 29.427 29.700 -0.333 0.000 1.066 167 E HN 0.465 nan 8.360 nan 0.000 0.405 168 R N 2.879 122.992 120.500 -0.645 0.000 2.758 168 R HA 0.345 4.685 4.340 -0.000 0.000 0.265 168 R C -0.030 175.751 176.300 -0.864 0.000 1.016 168 R CA -0.640 55.070 56.100 -0.649 0.000 1.040 168 R CB 0.746 30.868 30.300 -0.296 0.000 1.152 168 R HN 0.469 nan 8.270 nan 0.000 0.503 169 F N -0.639 119.287 119.950 -0.040 0.000 2.706 169 F HA 0.064 4.591 4.527 -0.000 0.000 0.313 169 F C 1.419 177.203 175.800 -0.026 0.000 1.096 169 F CA -0.495 57.490 58.000 -0.025 0.000 1.219 169 F CB 0.409 39.413 39.000 0.008 0.000 1.051 169 F HN 0.508 nan 8.300 nan 0.000 0.568 170 T N -0.519 114.069 114.554 0.057 0.000 2.715 170 T HA 0.549 4.898 4.350 -0.000 0.000 0.320 170 T C 0.797 175.491 174.700 -0.011 0.000 1.046 170 T CA -0.494 61.623 62.100 0.028 0.000 0.983 170 T CB 0.544 69.410 68.868 -0.003 0.000 1.183 170 T HN 0.170 nan 8.240 nan 0.000 0.522 171 A N 0.660 123.468 122.820 -0.020 0.000 2.555 171 A HA 0.233 4.553 4.320 -0.000 0.000 0.233 171 A C 1.584 179.139 177.584 -0.049 0.000 1.060 171 A CA -0.554 51.468 52.037 -0.025 0.000 0.759 171 A CB -0.538 18.451 19.000 -0.018 0.000 0.995 171 A HN 0.947 nan 8.150 nan 0.000 0.506 172 L N 2.628 123.833 121.223 -0.031 0.000 1.990 172 L HA -0.091 4.249 4.340 -0.000 0.000 0.213 172 L C 0.884 177.692 176.870 -0.103 0.000 1.072 172 L CA 2.008 56.828 54.840 -0.034 0.000 0.755 172 L CB -0.510 41.568 42.059 0.031 0.000 0.889 172 L HN 0.491 nan 8.230 nan 0.000 0.432 173 V N 2.268 122.098 119.914 -0.140 0.000 2.439 173 V HA 0.061 4.181 4.120 -0.000 0.000 0.271 173 V C 1.435 177.380 176.094 -0.250 0.000 1.040 173 V CA -0.314 61.771 62.300 -0.358 0.000 1.002 173 V CB 1.020 32.667 31.823 -0.294 0.000 1.000 173 V HN 0.369 nan 8.190 nan 0.000 0.477 174 R N 2.621 122.925 120.500 -0.325 0.000 2.237 174 R HA -0.008 4.332 4.340 -0.000 0.000 0.219 174 R C 0.374 176.560 176.300 -0.191 0.000 1.080 174 R CA 0.070 56.027 56.100 -0.239 0.000 0.995 174 R CB -0.678 29.453 30.300 -0.282 0.000 0.875 174 R HN 0.658 nan 8.270 nan 0.000 0.462 175 N N 0.837 119.421 118.700 -0.194 0.000 2.365 175 N HA 0.097 4.836 4.740 -0.000 0.000 0.265 175 N C 1.109 176.566 175.510 -0.089 0.000 1.288 175 N CA 1.461 54.431 53.050 -0.133 0.000 0.869 175 N CB 0.236 38.662 38.487 -0.102 0.000 1.071 175 N HN 0.373 nan 8.380 nan 0.000 0.480 176 G N 1.028 109.778 108.800 -0.082 0.000 2.195 176 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 176 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 176 G C -0.104 174.760 174.900 -0.060 0.000 0.990 176 G CA -0.359 44.702 45.100 -0.064 0.000 0.639 176 G HN 0.565 nan 8.290 nan 0.000 0.514 177 Q N 0.558 120.316 119.800 -0.069 0.000 2.235 177 Q HA 0.623 4.963 4.340 -0.000 0.000 0.256 177 Q C -0.594 175.385 176.000 -0.036 0.000 0.951 177 Q CA -0.284 55.486 55.803 -0.054 0.000 0.890 177 Q CB 1.643 30.342 28.738 -0.066 0.000 1.279 177 Q HN 0.149 nan 8.270 nan 0.000 0.444 178 T N 1.445 115.990 114.554 -0.015 0.000 2.795 178 T HA 0.458 4.808 4.350 -0.000 0.000 0.282 178 T C -0.760 173.963 174.700 0.039 0.000 0.980 178 T CA -0.452 61.657 62.100 0.015 0.000 1.012 178 T CB 0.798 69.667 68.868 0.002 0.000 0.936 178 T HN 0.231 nan 8.240 nan 0.000 0.457 179 V N 4.099 124.073 119.914 0.100 0.000 2.525 179 V HA 0.376 4.496 4.120 -0.000 0.000 0.299 179 V C -0.607 175.623 176.094 0.227 0.000 1.034 179 V CA -0.938 61.431 62.300 0.114 0.000 0.863 179 V CB 1.989 33.823 31.823 0.019 0.000 0.999 179 V HN 0.760 nan 8.190 nan 0.000 0.423 180 E N 2.601 122.913 120.200 0.187 0.000 2.081 180 E HA 0.263 4.613 4.350 -0.000 0.000 0.276 180 E C 0.290 177.070 176.600 0.301 0.000 0.950 180 E CA -0.412 56.124 56.400 0.225 0.000 0.776 180 E CB 1.611 31.394 29.700 0.138 0.000 1.094 180 E HN 0.781 nan 8.360 nan 0.000 0.402 181 T N 1.037 115.821 114.554 0.384 0.000 3.474 181 T HA 0.166 4.516 4.350 -0.000 0.000 0.270 181 T C -0.187 174.824 174.700 0.518 0.000 1.079 181 T CA -0.669 61.669 62.100 0.397 0.000 1.110 181 T CB -0.305 68.825 68.868 0.436 0.000 1.087 181 T HN 0.410 nan 8.240 nan 0.000 0.784 182 W N 4.145 125.570 121.300 0.209 0.000 2.802 182 W HA 0.295 4.955 4.660 -0.000 0.000 0.331 182 W C -1.256 175.442 176.519 0.297 0.000 1.021 182 W CA -1.063 56.426 57.345 0.239 0.000 1.259 182 W CB 1.286 30.817 29.460 0.118 0.000 1.323 182 W HN 0.357 nan 8.180 nan 0.000 0.432 183 N N 5.206 124.019 118.700 0.188 0.000 2.357 183 N HA 0.091 4.831 4.740 -0.000 0.000 0.257 183 N C -0.246 175.409 175.510 0.243 0.000 1.250 183 N CA 0.753 53.905 53.050 0.169 0.000 0.862 183 N CB 0.587 39.099 38.487 0.042 0.000 1.066 183 N HN 0.380 nan 8.380 nan 0.000 0.468 184 R N 0.385 121.026 120.500 0.235 0.000 2.739 184 R HA 0.228 4.568 4.340 -0.000 0.000 0.271 184 R C -1.306 175.099 176.300 0.174 0.000 1.010 184 R CA -0.821 55.431 56.100 0.254 0.000 0.897 184 R CB 1.499 31.960 30.300 0.269 0.000 1.236 184 R HN 0.377 nan 8.270 nan 0.000 0.466 185 D N 0.628 121.163 120.400 0.225 0.000 2.493 185 D HA 0.275 4.915 4.640 -0.000 0.000 0.235 185 D C -0.023 176.338 176.300 0.102 0.000 1.117 185 D CA -0.149 53.982 54.000 0.218 0.000 0.930 185 D CB 0.803 41.795 40.800 0.320 0.000 1.010 185 D HN 0.728 nan 8.370 nan 0.000 0.514 186 G N 1.605 110.345 108.800 -0.100 0.000 4.110 186 G HA2 0.532 4.492 3.960 -0.000 0.000 0.292 186 G HA3 0.532 4.492 3.960 -0.000 0.000 0.292 186 G C 0.717 175.560 174.900 -0.094 0.000 1.020 186 G CA 0.098 45.176 45.100 -0.035 0.000 0.808 186 G HN 0.849 nan 8.290 nan 0.000 0.474 187 G N 0.099 108.801 108.800 -0.164 0.000 2.615 187 G HA2 0.083 4.043 3.960 -0.000 0.000 0.218 187 G HA3 0.083 4.043 3.960 -0.000 0.000 0.218 187 G C 0.629 175.323 174.900 -0.344 0.000 1.339 187 G CA 0.553 45.577 45.100 -0.126 0.000 0.884 187 G HN 1.239 nan 8.290 nan 0.000 0.559 188 T N -3.531 110.766 114.554 -0.427 0.000 3.145 188 T HA 0.543 4.892 4.350 -0.000 0.000 0.281 188 T C 1.252 175.544 174.700 -0.681 0.000 1.003 188 T CA 1.159 62.598 62.100 -1.102 0.000 0.901 188 T CB 0.083 68.359 68.868 -0.987 0.000 1.112 188 T HN 1.860 nan 8.240 nan 0.000 0.535 189 S N 0.563 116.139 115.700 -0.208 0.000 2.754 189 S HA 0.366 4.836 4.470 -0.000 0.000 0.247 189 S C 0.572 175.204 174.600 0.054 0.000 1.031 189 S CA -0.098 58.097 58.200 -0.008 0.000 1.014 189 S CB 0.064 63.318 63.200 0.090 0.000 0.918 189 S HN 0.696 nan 8.310 nan 0.000 0.519 190 T N -0.955 113.635 114.554 0.060 0.000 2.773 190 T HA 0.488 4.838 4.350 -0.000 0.000 0.278 190 T C 0.645 175.416 174.700 0.119 0.000 1.011 190 T CA -0.356 61.791 62.100 0.080 0.000 1.014 190 T CB 1.459 70.363 68.868 0.060 0.000 1.293 190 T HN 0.036 nan 8.240 nan 0.000 0.554 191 E N 0.024 120.277 120.200 0.089 0.000 2.511 191 E HA -0.006 4.344 4.350 -0.000 0.000 0.196 191 E C 0.170 176.824 176.600 0.089 0.000 1.066 191 E CA 0.265 56.714 56.400 0.082 0.000 0.871 191 E CB -0.165 29.568 29.700 0.055 0.000 0.863 191 E HN 0.740 nan 8.360 nan 0.000 0.520 192 Q N 0.337 120.194 119.800 0.095 0.000 2.256 192 Q HA 0.614 4.954 4.340 -0.000 0.000 0.232 192 Q C -0.598 175.445 176.000 0.073 0.000 0.965 192 Q CA -0.322 55.532 55.803 0.084 0.000 0.908 192 Q CB 1.549 30.328 28.738 0.067 0.000 1.209 192 Q HN 0.239 nan 8.270 nan 0.000 0.489 193 A N 0.432 123.279 122.820 0.045 0.000 2.515 193 A HA 0.459 4.779 4.320 -0.000 0.000 0.298 193 A C -1.081 176.524 177.584 0.035 0.000 1.059 193 A CA -0.669 51.384 52.037 0.026 0.000 0.698 193 A CB 0.526 19.535 19.000 0.015 0.000 1.289 193 A HN 0.820 nan 8.150 nan 0.000 0.404 194 Y N 0.685 121.088 120.300 0.172 0.000 2.365 194 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 194 Y C 0.654 176.616 175.900 0.102 0.000 1.119 194 Y CA 1.002 59.184 58.100 0.137 0.000 1.203 194 Y CB 0.255 38.791 38.460 0.127 0.000 1.026 194 Y HN 0.483 nan 8.280 nan 0.000 0.549 195 K N 1.695 122.223 120.400 0.212 0.000 2.521 195 K HA 0.251 4.571 4.320 -0.000 0.000 0.248 195 K C -1.134 175.475 176.600 0.015 0.000 0.978 195 K CA -0.337 55.992 56.287 0.069 0.000 0.947 195 K CB 0.798 33.236 32.500 -0.102 0.000 1.165 195 K HN 0.062 nan 8.250 nan 0.000 0.445 196 N N 3.773 122.530 118.700 0.095 0.000 2.399 196 N HA 0.435 5.175 4.740 -0.000 0.000 0.295 196 N C -0.766 174.831 175.510 0.144 0.000 1.048 196 N CA -0.496 52.622 53.050 0.113 0.000 0.886 196 N CB 1.755 40.361 38.487 0.198 0.000 1.185 196 N HN 0.324 nan 8.380 nan 0.000 0.487 197 I N 2.921 123.563 120.570 0.120 0.000 2.497 197 I HA 0.218 4.388 4.170 -0.000 0.000 0.284 197 I C -2.218 174.003 176.117 0.174 0.000 1.060 197 I CA -1.903 59.492 61.300 0.158 0.000 1.071 197 I CB 2.060 40.152 38.000 0.154 0.000 1.216 197 I HN 0.202 nan 8.210 nan 0.000 0.442 198 P HA 0.090 nan 4.420 nan 0.000 0.249 198 P C -0.578 176.922 177.300 0.333 0.000 1.686 198 P CA 0.310 63.645 63.100 0.392 0.000 0.873 198 P CB -0.570 31.475 31.700 0.575 0.000 1.828 199 F N 2.655 122.593 119.950 -0.019 0.000 2.565 199 F HA 0.579 5.106 4.527 -0.000 0.000 0.313 199 F C -1.219 174.481 175.800 -0.168 0.000 1.091 199 F CA -1.169 56.750 58.000 -0.134 0.000 0.915 199 F CB 1.606 40.420 39.000 -0.311 0.000 1.208 199 F HN -0.019 nan 8.300 nan 0.000 0.453 203 N N -0.127 118.594 118.700 0.035 0.000 2.421 203 N HA 0.054 4.794 4.740 -0.000 0.000 0.201 203 N C 0.651 176.158 175.510 -0.004 0.000 1.198 203 N CA -0.313 52.751 53.050 0.023 0.000 0.838 203 N CB -0.234 38.293 38.487 0.066 0.000 1.011 203 N HN 0.395 nan 8.380 nan 0.000 0.463 204 R N -0.009 120.471 120.500 -0.033 0.000 2.468 204 R HA 0.272 4.612 4.340 -0.000 0.000 0.280 204 R C 0.681 177.042 176.300 0.102 0.000 0.963 204 R CA 0.046 56.184 56.100 0.065 0.000 1.083 204 R CB -0.647 29.767 30.300 0.189 0.000 1.200 204 R HN 0.375 nan 8.270 nan 0.000 0.541 205 G N 1.527 110.329 108.800 0.003 0.000 2.225 205 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.264 205 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.264 205 G C -0.339 174.636 174.900 0.125 0.000 1.060 205 G CA 0.881 46.007 45.100 0.043 0.000 0.833 205 G HN 0.488 nan 8.290 nan 0.000 0.498 206 Y N -2.720 117.584 120.300 0.006 0.000 2.655 206 Y HA 0.811 5.361 4.550 -0.000 0.000 0.336 206 Y C 0.265 176.127 175.900 -0.063 0.000 1.154 206 Y CA -1.221 56.874 58.100 -0.009 0.000 1.055 206 Y CB 0.817 39.271 38.460 -0.010 0.000 1.295 206 Y HN 0.746 nan 8.280 nan 0.000 0.465 207 G N 0.085 108.944 108.800 0.098 0.000 2.642 207 G HA2 0.644 4.604 3.960 -0.000 0.000 0.293 207 G HA3 0.644 4.604 3.960 -0.000 0.000 0.293 207 G C -2.293 172.518 174.900 -0.148 0.000 1.341 207 G CA -1.246 43.738 45.100 -0.194 0.000 0.916 207 G HN 0.757 nan 8.290 nan 0.000 0.474 208 V N 0.649 120.198 119.914 -0.608 0.000 2.623 208 V HA 0.514 4.634 4.120 -0.000 0.000 0.304 208 V C -1.119 174.868 176.094 -0.179 0.000 1.054 208 V CA -0.659 61.406 62.300 -0.392 0.000 0.882 208 V CB 1.643 33.026 31.823 -0.734 0.000 1.002 208 V HN 0.751 nan 8.190 nan 0.000 0.424 209 L N 6.503 127.895 121.223 0.281 0.000 2.319 209 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 209 L C -0.537 176.570 176.870 0.395 0.000 1.005 209 L CA -0.080 55.036 54.840 0.460 0.000 0.828 209 L CB 1.783 44.234 42.059 0.653 0.000 1.227 209 L HN 0.446 nan 8.230 nan 0.000 0.415 210 V N 4.845 124.926 119.914 0.278 0.000 2.368 210 V HA 0.245 4.365 4.120 -0.000 0.000 0.266 210 V C 0.537 176.874 176.094 0.404 0.000 1.045 210 V CA -0.514 61.912 62.300 0.210 0.000 0.899 210 V CB 0.711 32.506 31.823 -0.046 0.000 1.006 210 V HN 0.786 nan 8.190 nan 0.000 0.470 211 N N 4.598 123.508 118.700 0.351 0.000 3.103 211 N HA 0.044 4.784 4.740 -0.000 0.000 0.305 211 N C -0.406 174.966 175.510 -0.230 0.000 1.232 211 N CA 0.186 53.400 53.050 0.272 0.000 1.190 211 N CB -0.467 38.261 38.487 0.400 0.000 1.461 211 N HN 0.703 nan 8.380 nan 0.000 0.538 212 H N 0.527 119.703 119.070 0.178 0.000 3.018 212 H HA 0.208 4.764 4.556 -0.000 0.000 0.334 212 H C -2.002 173.239 175.328 -0.146 0.000 0.983 212 H CA -1.292 54.745 56.048 -0.018 0.000 1.363 212 H CB 2.144 31.936 29.762 0.050 0.000 1.668 212 H HN 0.235 nan 8.280 nan 0.000 0.513 213 P HA -0.133 nan 4.420 nan 0.000 0.221 213 P C 0.993 178.372 177.300 0.132 0.000 1.150 213 P CA 0.873 63.790 63.100 -0.305 0.000 0.800 213 P CB 0.515 31.940 31.700 -0.459 0.000 0.787 214 Q N -0.128 119.781 119.800 0.183 0.000 2.526 214 Q HA 0.014 4.353 4.340 -0.000 0.000 0.207 214 Q C 0.088 176.334 176.000 0.411 0.000 1.078 214 Q CA -0.346 55.654 55.803 0.329 0.000 1.041 214 Q CB -0.570 28.313 28.738 0.241 0.000 1.228 214 Q HN -0.017 nan 8.270 nan 0.000 0.603 215 C N 1.364 120.957 119.300 0.488 0.000 2.638 215 C HA 0.292 4.752 4.460 -0.000 0.000 0.410 215 C C 0.001 175.131 174.990 0.232 0.000 1.404 215 C CA -0.297 58.960 59.018 0.397 0.000 1.651 215 C CB -1.248 26.532 27.740 0.066 0.000 2.495 215 C HN 0.452 nan 8.230 nan 0.000 0.606 216 V N 6.946 127.025 119.914 0.275 0.000 2.435 216 V HA 0.422 4.542 4.120 -0.000 0.000 0.290 216 V C 0.276 176.448 176.094 0.131 0.000 1.030 216 V CA -0.116 62.274 62.300 0.150 0.000 0.881 216 V CB 1.877 33.807 31.823 0.179 0.000 0.983 216 V HN 0.911 nan 8.190 nan 0.000 0.445 217 S N 4.787 120.479 115.700 -0.014 0.000 2.420 217 S HA 0.667 5.137 4.470 -0.000 0.000 0.313 217 S C -0.903 173.662 174.600 -0.059 0.000 1.079 217 S CA -0.398 57.811 58.200 0.015 0.000 1.104 217 S CB -0.109 63.062 63.200 -0.049 0.000 0.969 217 S HN 0.389 nan 8.310 nan 0.000 0.471 218 F N 2.916 122.912 119.950 0.077 0.000 2.421 218 F HA 0.462 4.988 4.527 -0.000 0.000 0.337 218 F C 0.807 176.604 175.800 -0.006 0.000 1.105 218 F CA -0.651 57.391 58.000 0.069 0.000 1.049 218 F CB 1.380 40.413 39.000 0.055 0.000 1.139 218 F HN 0.383 nan 8.300 nan 0.000 0.479 219 E N 3.306 123.588 120.200 0.138 0.000 2.346 219 E HA 0.232 4.582 4.350 -0.000 0.000 0.239 219 E C -1.050 175.561 176.600 0.017 0.000 0.943 219 E CA -0.333 56.086 56.400 0.032 0.000 0.751 219 E CB 1.751 31.429 29.700 -0.036 0.000 1.241 219 E HN 0.262 nan 8.360 nan 0.000 0.423 220 V N 1.406 121.316 119.914 -0.008 0.000 2.276 220 V HA 0.246 4.366 4.120 -0.000 0.000 0.249 220 V C 1.381 177.419 176.094 -0.094 0.000 1.160 220 V CA 0.202 62.450 62.300 -0.087 0.000 1.042 220 V CB 0.079 31.801 31.823 -0.167 0.000 1.224 220 V HN 0.883 nan 8.190 nan 0.000 0.496 221 G N 4.450 113.201 108.800 -0.082 0.000 2.225 221 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.267 221 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.267 221 G C 0.800 175.658 174.900 -0.069 0.000 1.024 221 G CA 0.734 45.789 45.100 -0.075 0.000 0.784 221 G HN 1.050 nan 8.290 nan 0.000 0.507 222 S N -2.092 113.569 115.700 -0.065 0.000 2.512 222 S HA 0.384 4.854 4.470 -0.000 0.000 0.216 222 S C 1.311 175.869 174.600 -0.070 0.000 1.006 222 S CA 0.868 59.031 58.200 -0.061 0.000 0.915 222 S CB 0.703 63.872 63.200 -0.050 0.000 0.824 222 S HN 0.636 nan 8.310 nan 0.000 0.497 223 E N 0.926 121.079 120.200 -0.079 0.000 2.756 223 E HA 0.215 4.565 4.350 -0.000 0.000 0.192 223 E C -0.531 176.009 176.600 -0.100 0.000 1.022 223 E CA -0.030 56.312 56.400 -0.096 0.000 1.224 223 E CB 0.533 30.167 29.700 -0.111 0.000 1.252 223 E HN 0.022 nan 8.360 nan 0.000 0.494 224 K N 2.462 122.806 120.400 -0.093 0.000 2.334 224 K HA 0.138 4.458 4.320 -0.000 0.000 0.265 224 K C 1.045 177.600 176.600 -0.075 0.000 1.039 224 K CA -0.001 56.232 56.287 -0.091 0.000 0.920 224 K CB 1.702 34.153 32.500 -0.082 0.000 1.160 224 K HN 0.224 nan 8.250 nan 0.000 0.451 225 V N 0.184 120.053 119.914 -0.075 0.000 2.546 225 V HA -0.167 3.953 4.120 -0.000 0.000 0.254 225 V C 0.951 177.013 176.094 -0.053 0.000 1.076 225 V CA 1.527 63.789 62.300 -0.063 0.000 1.087 225 V CB -0.258 31.530 31.823 -0.060 0.000 0.674 225 V HN 0.486 nan 8.190 nan 0.000 0.470 226 S N 0.181 115.853 115.700 -0.046 0.000 2.562 226 S HA 0.449 4.919 4.470 -0.000 0.000 0.246 226 S C -0.039 174.549 174.600 -0.020 0.000 1.056 226 S CA -0.518 57.665 58.200 -0.029 0.000 1.042 226 S CB -0.201 62.988 63.200 -0.018 0.000 0.822 226 S HN 0.755 nan 8.310 nan 0.000 0.465 227 K N 0.561 120.940 120.400 -0.034 0.000 2.546 227 K HA 0.458 4.778 4.320 -0.000 0.000 0.264 227 K C -1.429 175.145 176.600 -0.044 0.000 0.937 227 K CA -0.724 55.548 56.287 -0.025 0.000 0.833 227 K CB 2.210 34.692 32.500 -0.030 0.000 1.378 227 K HN -0.120 nan 8.250 nan 0.000 0.432 228 V N 2.607 122.504 119.914 -0.028 0.000 2.348 228 V HA 0.172 4.292 4.120 -0.000 0.000 0.270 228 V C -0.155 175.929 176.094 -0.016 0.000 1.037 228 V CA -0.376 61.904 62.300 -0.032 0.000 0.872 228 V CB 1.018 32.784 31.823 -0.094 0.000 1.002 228 V HN 0.649 nan 8.190 nan 0.000 0.464 229 Q N 5.420 125.204 119.800 -0.027 0.000 2.271 229 Q HA 0.641 4.980 4.340 -0.000 0.000 0.258 229 Q C -1.530 174.411 176.000 -0.097 0.000 0.936 229 Q CA -0.607 55.110 55.803 -0.143 0.000 0.909 229 Q CB 1.537 30.216 28.738 -0.099 0.000 1.253 229 Q HN 0.705 nan 8.270 nan 0.000 0.440 230 F N 0.616 120.472 119.950 -0.156 0.000 2.556 230 F HA 0.741 5.268 4.527 -0.000 0.000 0.314 230 F C -0.892 174.787 175.800 -0.202 0.000 1.106 230 F CA -0.911 56.844 58.000 -0.408 0.000 0.911 230 F CB 1.592 40.121 39.000 -0.786 0.000 1.190 230 F HN 0.421 nan 8.300 nan 0.000 0.448 231 S N 2.009 117.693 115.700 -0.026 0.000 2.595 231 S HA 0.909 5.378 4.470 -0.000 0.000 0.281 231 S C -1.580 173.029 174.600 0.016 0.000 1.117 231 S CA -0.850 57.369 58.200 0.032 0.000 0.873 231 S CB 1.858 65.031 63.200 -0.044 0.000 1.108 231 S HN 1.481 nan 8.310 nan 0.000 0.477 232 V N 0.432 120.381 119.914 0.060 0.000 3.048 232 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 232 V C -1.193 174.938 176.094 0.061 0.000 1.214 232 V CA -0.695 61.608 62.300 0.006 0.000 0.984 232 V CB 1.976 33.635 31.823 -0.274 0.000 1.054 232 V HN 1.139 nan 8.190 nan 0.000 0.430 233 E N 3.548 123.756 120.200 0.013 0.000 2.029 233 E HA 0.528 4.878 4.350 -0.000 0.000 0.276 233 E C -0.516 175.970 176.600 -0.190 0.000 1.163 233 E CA 0.372 56.613 56.400 -0.265 0.000 0.909 233 E CB 0.373 29.893 29.700 -0.300 0.000 1.046 233 E HN 0.817 nan 8.360 nan 0.000 0.406 234 S N 3.176 118.774 115.700 -0.170 0.000 2.597 234 S HA 0.103 4.573 4.470 -0.000 0.000 0.274 234 S C -0.263 174.352 174.600 0.026 0.000 1.132 234 S CA -0.728 57.401 58.200 -0.119 0.000 0.835 234 S CB 1.445 64.441 63.200 -0.340 0.000 1.092 234 S HN 0.494 nan 8.310 nan 0.000 0.457 235 E N 0.620 120.903 120.200 0.138 0.000 2.489 235 E HA 0.294 4.644 4.350 -0.000 0.000 0.193 235 E C -0.457 176.340 176.600 0.327 0.000 1.057 235 E CA 0.491 57.053 56.400 0.270 0.000 0.866 235 E CB 0.114 29.981 29.700 0.279 0.000 0.916 235 E HN 0.525 nan 8.360 nan 0.000 0.500 236 Y N -2.464 117.952 120.300 0.195 0.000 2.609 236 Y HA 0.610 5.160 4.550 -0.000 0.000 0.336 236 Y C -1.739 174.311 175.900 0.250 0.000 1.129 236 Y CA -1.905 56.317 58.100 0.204 0.000 1.040 236 Y CB 0.679 39.237 38.460 0.164 0.000 1.310 236 Y HN -0.193 nan 8.280 nan 0.000 0.460 237 L N 2.465 123.848 121.223 0.266 0.000 2.385 237 L HA 0.669 5.009 4.340 -0.000 0.000 0.273 237 L C -1.279 175.867 176.870 0.460 0.000 0.990 237 L CA -0.593 54.439 54.840 0.320 0.000 0.821 237 L CB 2.040 44.259 42.059 0.266 0.000 1.279 237 L HN 0.917 nan 8.230 nan 0.000 0.412 238 E N 3.935 124.461 120.200 0.543 0.000 2.256 238 E HA 0.560 4.909 4.350 -0.000 0.000 0.268 238 E C -2.030 174.639 176.600 0.116 0.000 0.877 238 E CA -0.594 55.909 56.400 0.171 0.000 0.757 238 E CB 1.577 31.356 29.700 0.131 0.000 1.183 238 E HN 0.573 nan 8.360 nan 0.000 0.418 239 Y N 1.267 121.444 120.300 -0.204 0.000 2.597 239 Y HA 0.694 5.243 4.550 -0.000 0.000 0.340 239 Y C -1.801 173.837 175.900 -0.436 0.000 1.097 239 Y CA -1.446 56.544 58.100 -0.184 0.000 1.037 239 Y CB 1.054 39.484 38.460 -0.050 0.000 1.305 239 Y HN 0.255 nan 8.280 nan 0.000 0.463 240 F N 1.308 121.388 119.950 0.216 0.000 2.493 240 F HA 0.614 5.141 4.527 -0.000 0.000 0.329 240 F C -0.669 175.186 175.800 0.092 0.000 1.126 240 F CA -1.289 56.761 58.000 0.084 0.000 0.937 240 F CB 2.149 41.253 39.000 0.173 0.000 1.146 240 F HN 0.344 nan 8.300 nan 0.000 0.442 241 V N 5.252 125.235 119.914 0.116 0.000 2.385 241 V HA 0.316 4.436 4.120 -0.000 0.000 0.269 241 V C 0.112 176.256 176.094 0.082 0.000 1.043 241 V CA -0.472 61.817 62.300 -0.019 0.000 0.906 241 V CB 0.947 32.530 31.823 -0.400 0.000 0.995 241 V HN 0.534 nan 8.190 nan 0.000 0.467 242 I N 4.458 125.116 120.570 0.146 0.000 2.330 242 I HA 0.329 4.499 4.170 -0.000 0.000 0.289 242 I C 0.245 176.451 176.117 0.148 0.000 1.001 242 I CA -0.245 61.146 61.300 0.153 0.000 1.193 242 I CB 1.400 39.553 38.000 0.254 0.000 1.345 242 I HN 0.565 nan 8.210 nan 0.000 0.461 243 D N 4.297 124.758 120.400 0.102 0.000 2.447 243 D HA 0.685 5.325 4.640 -0.000 0.000 0.265 243 D C 0.063 176.414 176.300 0.085 0.000 1.250 243 D CA 0.072 54.135 54.000 0.104 0.000 1.046 243 D CB 1.224 42.066 40.800 0.070 0.000 1.095 243 D HN 0.730 nan 8.370 nan 0.000 0.555 244 G N 0.392 109.234 108.800 0.070 0.000 2.486 244 G HA2 0.008 3.968 3.960 -0.000 0.000 0.220 244 G HA3 0.008 3.968 3.960 -0.000 0.000 0.220 244 G C -2.094 172.834 174.900 0.046 0.000 1.313 244 G CA -0.377 44.750 45.100 0.044 0.000 1.187 244 G HN 0.328 nan 8.290 nan 0.000 0.599 245 P HA -0.206 nan 4.420 nan 0.000 0.222 245 P C 1.512 178.828 177.300 0.027 0.000 1.155 245 P CA 2.490 65.612 63.100 0.038 0.000 0.890 245 P CB 0.076 31.790 31.700 0.022 0.000 0.790 246 T N -7.334 107.224 114.554 0.007 0.000 2.945 246 T HA 0.411 4.761 4.350 -0.000 0.000 0.286 246 T C -2.181 172.505 174.700 -0.024 0.000 1.025 246 T CA -2.419 59.673 62.100 -0.015 0.000 1.039 246 T CB 1.580 70.429 68.868 -0.031 0.000 1.068 246 T HN -0.220 nan 8.240 nan 0.000 0.497 247 P HA -0.057 nan 4.420 nan 0.000 0.216 247 P C 1.297 178.565 177.300 -0.052 0.000 1.150 247 P CA 1.194 64.252 63.100 -0.069 0.000 0.843 247 P CB 0.094 31.719 31.700 -0.124 0.000 0.787 248 K N -0.663 119.701 120.400 -0.061 0.000 2.057 248 K HA -0.032 4.288 4.320 -0.000 0.000 0.206 248 K C 2.130 178.709 176.600 -0.035 0.000 1.050 248 K CA 1.419 57.671 56.287 -0.058 0.000 0.935 248 K CB -0.579 31.879 32.500 -0.071 0.000 0.715 248 K HN 0.041 nan 8.250 nan 0.000 0.439 249 A N 0.949 123.755 122.820 -0.023 0.000 2.015 249 A HA -0.080 4.239 4.320 -0.000 0.000 0.219 249 A C 2.293 179.886 177.584 0.016 0.000 1.163 249 A CA 1.057 53.089 52.037 -0.008 0.000 0.646 249 A CB -0.424 18.574 19.000 -0.003 0.000 0.806 249 A HN 0.052 nan 8.150 nan 0.000 0.448 250 V N 0.021 119.955 119.914 0.033 0.000 2.307 250 V HA -0.229 3.890 4.120 -0.000 0.000 0.245 250 V C 2.511 178.663 176.094 0.097 0.000 1.045 250 V CA 1.869 64.221 62.300 0.086 0.000 1.024 250 V CB -0.682 31.204 31.823 0.104 0.000 0.651 250 V HN 0.578 nan 8.190 nan 0.000 0.449 251 L N -0.037 121.214 121.223 0.046 0.000 2.141 251 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 251 L C 2.420 179.291 176.870 0.002 0.000 1.094 251 L CA 1.544 56.394 54.840 0.016 0.000 0.763 251 L CB -0.594 41.446 42.059 -0.032 0.000 0.908 251 L HN 0.410 nan 8.230 nan 0.000 0.437 252 D N 0.591 120.984 120.400 -0.013 0.000 2.078 252 D HA -0.192 4.448 4.640 -0.000 0.000 0.193 252 D C 2.291 178.574 176.300 -0.028 0.000 0.990 252 D CA 1.485 55.466 54.000 -0.033 0.000 0.827 252 D CB 0.078 40.859 40.800 -0.032 0.000 0.975 252 D HN 0.128 nan 8.370 nan 0.000 0.451 253 R N -1.002 119.497 120.500 -0.002 0.000 2.096 253 R HA -0.174 4.166 4.340 -0.000 0.000 0.235 253 R C 2.484 178.790 176.300 0.010 0.000 1.127 253 R CA 1.202 57.298 56.100 -0.006 0.000 0.968 253 R CB -0.627 29.677 30.300 0.006 0.000 0.861 253 R HN 0.383 nan 8.270 nan 0.000 0.440 254 Y N 1.943 122.187 120.300 -0.093 0.000 2.145 254 Y HA -0.247 4.302 4.550 -0.000 0.000 0.286 254 Y C 2.613 178.384 175.900 -0.215 0.000 1.145 254 Y CA 2.098 60.095 58.100 -0.172 0.000 1.148 254 Y CB -0.311 37.874 38.460 -0.458 0.000 0.981 254 Y HN 0.110 nan 8.280 nan 0.000 0.507 255 T N -1.427 112.982 114.554 -0.242 0.000 2.867 255 T HA -0.152 4.198 4.350 -0.000 0.000 0.268 255 T C 2.017 176.548 174.700 -0.282 0.000 1.057 255 T CA 1.227 63.125 62.100 -0.336 0.000 1.136 255 T CB -0.457 68.288 68.868 -0.205 0.000 0.874 255 T HN 0.392 nan 8.240 nan 0.000 0.466 256 R N -0.119 120.280 120.500 -0.169 0.000 2.066 256 R HA 0.020 4.360 4.340 -0.000 0.000 0.232 256 R C 2.258 178.504 176.300 -0.089 0.000 1.131 256 R CA 1.322 57.355 56.100 -0.112 0.000 0.955 256 R CB -0.500 29.759 30.300 -0.067 0.000 0.851 256 R HN 0.552 nan 8.270 nan 0.000 0.432 257 F N 0.659 120.416 119.950 -0.320 0.000 2.102 257 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 257 F C 2.119 177.655 175.800 -0.440 0.000 1.105 257 F CA 1.676 59.459 58.000 -0.362 0.000 1.239 257 F CB 0.070 38.827 39.000 -0.405 0.000 0.991 257 F HN 0.184 nan 8.300 nan 0.000 0.474 258 T N -2.490 111.663 114.554 -0.669 0.000 3.023 258 T HA 0.475 4.825 4.350 -0.000 0.000 0.253 258 T C 0.530 174.882 174.700 -0.580 0.000 1.038 258 T CA 0.349 61.964 62.100 -0.809 0.000 0.962 258 T CB 0.561 68.740 68.868 -1.149 0.000 1.018 258 T HN 0.481 nan 8.240 nan 0.000 0.521 259 G N 1.349 109.866 108.800 -0.471 0.000 2.542 259 G HA2 0.225 4.185 3.960 -0.000 0.000 0.391 259 G HA3 0.225 4.185 3.960 -0.000 0.000 0.391 259 G C -1.270 173.409 174.900 -0.368 0.000 1.551 259 G CA -1.269 43.596 45.100 -0.392 0.000 0.946 259 G HN 0.292 nan 8.290 nan 0.000 0.662 260 R N 1.719 122.057 120.500 -0.271 0.000 2.390 260 R HA 0.437 4.777 4.340 -0.000 0.000 0.291 260 R C -2.431 173.731 176.300 -0.230 0.000 1.070 260 R CA -1.796 54.175 56.100 -0.214 0.000 1.014 260 R CB 0.810 31.033 30.300 -0.130 0.000 1.007 260 R HN 0.298 nan 8.270 nan 0.000 0.466 261 P HA 0.057 nan 4.420 nan 0.000 0.271 261 P C -0.583 176.711 177.300 -0.010 0.000 1.216 261 P CA 0.112 63.146 63.100 -0.109 0.000 0.771 261 P CB 0.749 32.461 31.700 0.021 0.000 0.864 262 A N 3.866 126.651 122.820 -0.058 0.000 2.313 262 A HA 0.328 4.648 4.320 -0.000 0.000 0.261 262 A C -0.218 177.422 177.584 0.093 0.000 1.090 262 A CA -0.488 51.573 52.037 0.041 0.000 0.807 262 A CB -0.001 19.064 19.000 0.108 0.000 1.055 262 A HN 0.604 nan 8.150 nan 0.000 0.492 263 L N 1.946 123.230 121.223 0.102 0.000 2.260 263 L HA 0.348 4.688 4.340 -0.000 0.000 0.289 263 L C -2.165 174.724 176.870 0.031 0.000 1.057 263 L CA -1.944 52.922 54.840 0.043 0.000 0.811 263 L CB 1.467 43.560 42.059 0.057 0.000 1.184 263 L HN 0.470 nan 8.230 nan 0.000 0.429 264 P HA 0.297 nan 4.420 nan 0.000 0.274 264 P C -2.582 174.837 177.300 0.198 0.000 1.237 264 P CA -1.420 61.680 63.100 0.000 0.000 0.793 264 P CB 0.117 31.711 31.700 -0.177 0.000 0.977 265 P HA 0.036 nan 4.420 nan 0.000 0.271 265 P C 0.462 177.726 177.300 -0.060 0.000 1.218 265 P CA 0.142 63.143 63.100 -0.165 0.000 0.780 265 P CB 0.369 31.676 31.700 -0.654 0.000 0.901 266 A N 4.525 127.320 122.820 -0.041 0.000 1.917 266 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 266 A C 1.908 179.609 177.584 0.195 0.000 1.182 266 A CA 1.727 53.751 52.037 -0.021 0.000 0.633 266 A CB -1.790 17.078 19.000 -0.219 0.000 0.819 266 A HN 0.850 nan 8.150 nan 0.000 0.448 267 W N 0.911 122.315 121.300 0.172 0.000 2.341 267 W HA -0.202 4.458 4.660 -0.000 0.000 0.283 267 W C 1.914 178.550 176.519 0.195 0.000 1.215 267 W CA 1.453 58.871 57.345 0.122 0.000 1.211 267 W CB -1.471 28.011 29.460 0.036 0.000 1.131 267 W HN 0.540 nan 8.180 nan 0.000 0.552 268 S N 0.615 116.312 115.700 -0.004 0.000 2.447 268 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 268 S C 1.406 176.308 174.600 0.503 0.000 1.006 268 S CA 0.747 59.117 58.200 0.283 0.000 0.957 268 S CB -1.312 61.874 63.200 -0.023 0.000 0.773 268 S HN 0.125 nan 8.310 nan 0.000 0.507 269 F N 2.886 122.914 119.950 0.131 0.000 2.771 269 F HA 0.342 4.869 4.527 -0.000 0.000 0.299 269 F C 1.908 177.738 175.800 0.051 0.000 1.177 269 F CA -0.381 57.589 58.000 -0.051 0.000 1.450 269 F CB -0.908 38.066 39.000 -0.045 0.000 1.114 269 F HN 0.320 nan 8.300 nan 0.000 0.587 270 G N 0.099 109.038 108.800 0.232 0.000 2.516 270 G HA2 0.216 4.176 3.960 -0.000 0.000 0.276 270 G HA3 0.216 4.176 3.960 -0.000 0.000 0.276 270 G C -0.605 174.487 174.900 0.320 0.000 1.390 270 G CA -0.575 44.475 45.100 -0.083 0.000 1.050 270 G HN 0.034 nan 8.290 nan 0.000 0.519 271 L N 0.679 122.225 121.223 0.538 0.000 2.268 271 L HA 0.351 4.691 4.340 -0.000 0.000 0.289 271 L C -1.034 176.127 176.870 0.485 0.000 1.064 271 L CA -0.661 54.484 54.840 0.508 0.000 0.824 271 L CB -0.012 42.305 42.059 0.429 0.000 1.202 271 L HN 0.462 nan 8.230 nan 0.000 0.433 272 W N 5.678 127.053 121.300 0.125 0.000 2.218 272 W HA 0.401 5.061 4.660 -0.000 0.000 0.326 272 W C -0.067 176.426 176.519 -0.042 0.000 1.276 272 W CA -0.205 57.145 57.345 0.008 0.000 1.210 272 W CB 0.636 30.014 29.460 -0.137 0.000 1.143 272 W HN 0.371 nan 8.180 nan 0.000 0.563 273 L N 2.957 124.252 121.223 0.120 0.000 2.381 273 L HA 0.770 5.109 4.340 -0.000 0.000 0.268 273 L C -0.389 176.360 176.870 -0.202 0.000 0.997 273 L CA -0.306 54.556 54.840 0.036 0.000 0.818 273 L CB 2.222 44.379 42.059 0.162 0.000 1.310 273 L HN 0.356 nan 8.230 nan 0.000 0.416 274 T N 1.644 116.048 114.554 -0.251 0.000 2.903 274 T HA 0.709 5.059 4.350 -0.000 0.000 0.299 274 T C -0.372 174.187 174.700 -0.234 0.000 1.093 274 T CA 0.180 62.049 62.100 -0.385 0.000 1.002 274 T CB 1.125 69.815 68.868 -0.297 0.000 1.127 274 T HN 0.923 nan 8.240 nan 0.000 0.488 275 T N 1.259 115.670 114.554 -0.238 0.000 2.824 275 T HA 0.586 4.936 4.350 -0.000 0.000 0.277 275 T C 0.407 175.180 174.700 0.121 0.000 0.975 275 T CA -0.730 61.261 62.100 -0.181 0.000 0.966 275 T CB 0.516 69.232 68.868 -0.254 0.000 1.054 275 T HN 0.570 nan 8.240 nan 0.000 0.533 276 S N 0.354 116.149 115.700 0.158 0.000 2.568 276 S HA 0.161 4.631 4.470 -0.000 0.000 0.282 276 S C -0.120 174.586 174.600 0.177 0.000 1.338 276 S CA -0.666 57.641 58.200 0.178 0.000 1.045 276 S CB -0.383 62.893 63.200 0.126 0.000 0.873 276 S HN 0.570 nan 8.310 nan 0.000 0.516 277 F N 3.252 123.221 119.950 0.032 0.000 2.602 277 F HA 0.051 4.577 4.527 -0.000 0.000 0.385 277 F C 1.692 177.467 175.800 -0.043 0.000 1.063 277 F CA 1.083 59.106 58.000 0.039 0.000 1.233 277 F CB 0.103 39.150 39.000 0.078 0.000 1.067 277 F HN 0.953 nan 8.300 nan 0.000 0.564 278 T N 0.571 114.805 114.554 -0.534 0.000 5.383 278 T HA -0.265 4.085 4.350 -0.000 0.000 0.279 278 T C 0.523 174.809 174.700 -0.690 0.000 1.930 278 T CA 1.286 62.879 62.100 -0.845 0.000 3.248 278 T CB -2.535 65.658 68.868 -1.126 0.000 1.367 278 T HN 0.771 nan 8.240 nan 0.000 1.030 279 T N 0.882 115.120 114.554 -0.526 0.000 3.069 279 T HA 0.225 4.574 4.350 -0.000 0.000 0.252 279 T C 0.666 174.844 174.700 -0.871 0.000 1.053 279 T CA 0.168 61.798 62.100 -0.784 0.000 0.964 279 T CB -0.199 68.516 68.868 -0.255 0.000 1.005 279 T HN 0.737 nan 8.240 nan 0.000 0.532 280 N N 1.863 120.290 118.700 -0.454 0.000 2.819 280 N HA 0.081 4.821 4.740 -0.000 0.000 0.284 280 N C -0.055 175.336 175.510 -0.198 0.000 1.196 280 N CA -0.239 52.746 53.050 -0.108 0.000 1.114 280 N CB 0.131 38.783 38.487 0.276 0.000 1.437 280 N HN 0.289 nan 8.380 nan 0.000 0.518 281 Y N 0.543 120.853 120.300 0.018 0.000 2.516 281 Y HA -0.040 4.509 4.550 -0.000 0.000 0.291 281 Y C 0.969 176.819 175.900 -0.084 0.000 1.131 281 Y CA 0.144 58.207 58.100 -0.061 0.000 1.281 281 Y CB -0.072 38.366 38.460 -0.036 0.000 1.013 281 Y HN 0.460 nan 8.280 nan 0.000 0.554 282 D N -2.643 117.839 120.400 0.137 0.000 2.871 282 D HA -0.068 4.572 4.640 -0.000 0.000 0.330 282 D C 0.464 177.022 176.300 0.431 0.000 1.364 282 D CA -0.335 53.768 54.000 0.170 0.000 0.759 282 D CB 0.560 41.441 40.800 0.135 0.000 1.325 282 D HN 0.056 nan 8.370 nan 0.000 0.452 283 E N -0.021 120.419 120.200 0.399 0.000 2.072 283 E HA -0.048 4.302 4.350 -0.000 0.000 0.191 283 E C 1.970 178.669 176.600 0.164 0.000 0.985 283 E CA 1.364 57.946 56.400 0.302 0.000 0.801 283 E CB -0.280 29.535 29.700 0.191 0.000 0.750 283 E HN 0.461 nan 8.360 nan 0.000 0.452 284 A N 0.207 123.107 122.820 0.132 0.000 1.933 284 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 284 A C 2.389 180.032 177.584 0.098 0.000 1.175 284 A CA 1.999 54.087 52.037 0.086 0.000 0.628 284 A CB -1.049 17.995 19.000 0.072 0.000 0.814 284 A HN 0.383 nan 8.150 nan 0.000 0.444 285 T N -0.597 114.044 114.554 0.146 0.000 2.821 285 T HA -0.099 4.250 4.350 -0.000 0.000 0.267 285 T C 1.851 176.640 174.700 0.148 0.000 1.046 285 T CA 2.133 64.332 62.100 0.165 0.000 1.139 285 T CB -0.545 68.453 68.868 0.216 0.000 0.871 285 T HN 0.642 nan 8.240 nan 0.000 0.454 286 V N -0.077 119.893 119.914 0.094 0.000 2.719 286 V HA 0.065 4.185 4.120 -0.000 0.000 0.252 286 V C 2.132 178.142 176.094 -0.140 0.000 1.065 286 V CA 1.367 63.614 62.300 -0.090 0.000 1.086 286 V CB -0.663 31.006 31.823 -0.256 0.000 0.700 286 V HN 0.363 nan 8.190 nan 0.000 0.467 287 N N 1.416 120.082 118.700 -0.056 0.000 2.109 287 N HA -0.089 4.651 4.740 -0.000 0.000 0.188 287 N C 2.058 177.561 175.510 -0.011 0.000 1.034 287 N CA 1.917 54.928 53.050 -0.065 0.000 0.846 287 N CB -0.329 38.135 38.487 -0.038 0.000 1.010 287 N HN 0.517 nan 8.380 nan 0.000 0.425 288 S N 0.781 116.498 115.700 0.028 0.000 2.420 288 S HA -0.123 4.347 4.470 -0.000 0.000 0.237 288 S C 1.593 176.214 174.600 0.034 0.000 1.023 288 S CA 0.692 58.907 58.200 0.024 0.000 0.991 288 S CB -0.301 62.920 63.200 0.035 0.000 0.792 288 S HN 0.296 nan 8.310 nan 0.000 0.488 289 F N 2.570 122.480 119.950 -0.067 0.000 2.187 289 F HA 0.071 4.598 4.527 -0.000 0.000 0.295 289 F C 1.859 177.608 175.800 -0.086 0.000 1.091 289 F CA 0.846 58.810 58.000 -0.060 0.000 1.308 289 F CB -0.355 38.611 39.000 -0.058 0.000 1.030 289 F HN 0.229 nan 8.300 nan 0.000 0.487 290 I N -2.328 118.338 120.570 0.160 0.000 2.546 290 I HA -0.119 4.050 4.170 -0.000 0.000 0.255 290 I C 1.406 177.520 176.117 -0.005 0.000 1.163 290 I CA 1.452 62.779 61.300 0.046 0.000 1.457 290 I CB -0.736 37.191 38.000 -0.123 0.000 1.092 290 I HN -0.102 nan 8.210 nan 0.000 0.434 291 D N 2.088 122.474 120.400 -0.023 0.000 2.224 291 D HA 0.061 4.701 4.640 -0.000 0.000 0.205 291 D C 1.523 177.793 176.300 -0.049 0.000 0.965 291 D CA 1.025 55.002 54.000 -0.039 0.000 0.852 291 D CB -0.306 40.472 40.800 -0.037 0.000 0.947 291 D HN 0.517 nan 8.370 nan 0.000 0.494 295 E N -0.008 120.173 120.200 -0.031 0.000 2.342 295 E HA 0.547 4.897 4.350 -0.000 0.000 0.257 295 E C 0.417 177.005 176.600 -0.019 0.000 1.150 295 E CA -0.194 56.191 56.400 -0.026 0.000 0.926 295 E CB 0.428 30.110 29.700 -0.030 0.000 1.074 295 E HN 0.311 nan 8.360 nan 0.000 0.449 296 R N 0.458 120.952 120.500 -0.010 0.000 3.749 296 R HA -0.255 4.085 4.340 -0.000 0.000 0.476 296 R C -0.355 175.952 176.300 0.011 0.000 0.814 296 R CA 0.995 57.096 56.100 0.003 0.000 1.494 296 R CB -1.882 28.419 30.300 0.001 0.000 2.164 296 R HN 0.881 nan 8.270 nan 0.000 0.473 297 N N -0.226 118.474 118.700 0.000 0.000 2.725 297 N HA -0.171 4.568 4.740 -0.000 0.000 0.251 297 N C -1.251 174.265 175.510 0.010 0.000 1.031 297 N CA 1.096 54.145 53.050 -0.001 0.000 0.720 297 N CB -0.279 38.207 38.487 -0.001 0.000 0.930 297 N HN 0.134 nan 8.380 nan 0.000 0.543 298 L N 0.466 121.696 121.223 0.013 0.000 2.272 298 L HA 0.392 4.732 4.340 -0.000 0.000 0.284 298 L C -1.675 175.190 176.870 -0.009 0.000 1.045 298 L CA -1.406 53.452 54.840 0.031 0.000 0.842 298 L CB 0.413 42.507 42.059 0.059 0.000 1.224 298 L HN -0.045 nan 8.230 nan 0.000 0.430 299 P HA 0.039 nan 4.420 nan 0.000 0.261 299 P C -0.572 176.526 177.300 -0.337 0.000 1.183 299 P CA 0.079 63.080 63.100 -0.165 0.000 0.761 299 P CB 0.554 32.219 31.700 -0.058 0.000 0.785 300 L N 5.023 126.006 121.223 -0.399 0.000 2.342 300 L HA 0.242 4.582 4.340 -0.000 0.000 0.276 300 L C 0.498 177.120 176.870 -0.414 0.000 0.997 300 L CA -0.276 54.379 54.840 -0.308 0.000 0.838 300 L CB 1.055 43.059 42.059 -0.093 0.000 1.224 300 L HN 0.544 nan 8.230 nan 0.000 0.416 301 H N 2.974 122.052 119.070 0.014 0.000 2.460 301 H HA 0.282 4.838 4.556 -0.000 0.000 0.297 301 H C -0.006 175.229 175.328 -0.155 0.000 1.023 301 H CA 0.086 56.114 56.048 -0.033 0.000 1.321 301 H CB 0.693 30.486 29.762 0.051 0.000 1.455 301 H HN 0.248 nan 8.280 nan 0.000 0.539 302 V N 1.482 121.329 119.914 -0.111 0.000 2.531 302 V HA 0.206 4.326 4.120 -0.000 0.000 0.301 302 V C -1.330 174.628 176.094 -0.227 0.000 1.034 302 V CA -0.891 61.176 62.300 -0.388 0.000 0.865 302 V CB 2.130 33.296 31.823 -1.094 0.000 0.995 302 V HN 0.129 nan 8.190 nan 0.000 0.424 303 F N 3.917 123.675 119.950 -0.320 0.000 2.450 303 F HA 0.720 5.247 4.527 -0.000 0.000 0.332 303 F C -0.318 175.349 175.800 -0.222 0.000 1.093 303 F CA -0.546 57.294 58.000 -0.267 0.000 1.003 303 F CB 1.431 40.248 39.000 -0.305 0.000 1.151 303 F HN 0.668 nan 8.300 nan 0.000 0.474 304 H N 4.798 123.068 119.070 -1.334 0.000 2.547 304 H HA 0.445 5.001 4.556 -0.000 0.000 0.342 304 H C -1.726 172.993 175.328 -1.014 0.000 1.048 304 H CA -0.744 54.794 56.048 -0.850 0.000 1.204 304 H CB 0.812 30.284 29.762 -0.484 0.000 1.493 304 H HN 0.475 nan 8.280 nan 0.000 0.511 305 F N 4.383 123.695 119.950 -1.064 0.000 2.405 305 F HA 0.170 4.697 4.527 -0.000 0.000 0.355 305 F C 0.425 175.938 175.800 -0.478 0.000 1.121 305 F CA -0.604 57.056 58.000 -0.567 0.000 1.112 305 F CB 0.638 39.453 39.000 -0.309 0.000 1.126 305 F HN 0.679 nan 8.300 nan 0.000 0.481 306 D N 1.106 121.527 120.400 0.035 0.000 2.414 306 D HA 0.012 4.651 4.640 -0.000 0.000 0.259 306 D C 1.223 177.611 176.300 0.147 0.000 1.269 306 D CA -0.579 53.520 54.000 0.164 0.000 1.028 306 D CB 0.024 40.995 40.800 0.284 0.000 1.093 306 D HN 0.527 nan 8.370 nan 0.000 0.545 307 C N -1.344 117.693 119.300 -0.437 0.000 2.385 307 C HA -0.200 4.260 4.460 -0.000 0.000 0.275 307 C C 2.309 176.729 174.990 -0.950 0.000 1.199 307 C CA 0.343 58.557 59.018 -1.340 0.000 1.782 307 C CB -1.588 24.759 27.740 -2.322 0.000 2.068 307 C HN 0.558 nan 8.230 nan 0.000 0.471 308 F N 1.312 121.082 119.950 -0.300 0.000 2.788 308 F HA 0.044 4.571 4.527 -0.000 0.000 0.300 308 F C 1.568 177.472 175.800 0.174 0.000 1.229 308 F CA -0.069 57.935 58.000 0.007 0.000 1.446 308 F CB -0.513 38.461 39.000 -0.043 0.000 1.118 308 F HN 0.574 nan 8.300 nan 0.000 0.579 312 A N 1.493 123.955 122.820 -0.596 0.000 2.483 312 A HA 0.472 4.792 4.320 -0.000 0.000 0.238 312 A C 0.170 177.101 177.584 -1.087 0.000 1.070 312 A CA 0.570 51.807 52.037 -1.335 0.000 0.770 312 A CB -0.700 17.527 19.000 -1.288 0.000 1.008 312 A HN 0.725 nan 8.150 nan 0.000 0.497 313 F N -1.404 117.894 119.950 -1.086 0.000 2.748 313 F HA -0.263 4.263 4.527 -0.000 0.000 0.370 313 F C 1.305 176.834 175.800 -0.452 0.000 0.620 313 F CA 1.803 59.398 58.000 -0.675 0.000 1.233 313 F CB -1.879 36.854 39.000 -0.444 0.000 1.708 313 F HN 0.734 nan 8.300 nan 0.000 0.298 314 Q N -1.589 118.029 119.800 -0.305 0.000 2.194 314 Q HA 0.058 4.398 4.340 -0.000 0.000 0.214 314 Q C -0.178 175.861 176.000 0.064 0.000 0.838 314 Q CA -0.415 55.347 55.803 -0.069 0.000 0.972 314 Q CB 0.299 29.018 28.738 -0.032 0.000 1.131 314 Q HN 0.283 nan 8.270 nan 0.000 0.498 315 W N 1.060 122.295 121.300 -0.109 0.000 2.549 315 W HA -0.102 4.557 4.660 -0.000 0.000 0.343 315 W C 0.577 177.166 176.519 0.117 0.000 1.278 315 W CA -0.290 57.036 57.345 -0.032 0.000 1.277 315 W CB -0.419 29.032 29.460 -0.014 0.000 1.249 315 W HN 0.244 nan 8.180 nan 0.000 0.572 316 C N 4.755 124.192 119.300 0.227 0.000 4.521 316 C HA -0.241 4.219 4.460 -0.000 0.000 0.317 316 C C 0.821 175.764 174.990 -0.078 0.000 1.165 316 C CA 0.578 59.536 59.018 -0.099 0.000 2.281 316 C CB -2.080 25.629 27.740 -0.052 0.000 1.244 316 C HN 0.705 nan 8.230 nan 0.000 0.696 317 D N -0.303 120.065 120.400 -0.054 0.000 2.513 317 D HA 0.241 4.881 4.640 -0.000 0.000 0.222 317 D C 0.705 177.168 176.300 0.271 0.000 1.210 317 D CA -0.364 53.789 54.000 0.256 0.000 0.825 317 D CB -0.483 40.477 40.800 0.267 0.000 1.037 317 D HN 0.507 nan 8.370 nan 0.000 0.506 318 F N 0.830 120.837 119.950 0.094 0.000 3.100 318 F HA -0.249 4.277 4.527 -0.000 0.000 0.283 318 F C 0.285 176.140 175.800 0.092 0.000 0.900 318 F CA 0.681 58.722 58.000 0.068 0.000 1.010 318 F CB -2.023 36.999 39.000 0.037 0.000 1.029 318 F HN 0.218 nan 8.300 nan 0.000 0.637 319 E N 0.353 120.604 120.200 0.085 0.000 2.102 319 E HA 0.293 4.643 4.350 -0.000 0.000 0.263 319 E C -0.228 176.460 176.600 0.146 0.000 0.894 319 E CA -0.849 55.662 56.400 0.185 0.000 0.746 319 E CB 0.591 30.400 29.700 0.181 0.000 1.129 319 E HN 0.226 nan 8.360 nan 0.000 0.416 320 W N 2.967 124.481 121.300 0.356 0.000 2.209 320 W HA -0.003 4.656 4.660 -0.000 0.000 0.344 320 W C 0.639 177.318 176.519 0.267 0.000 1.285 320 W CA 0.153 57.755 57.345 0.428 0.000 1.267 320 W CB 0.394 30.104 29.460 0.416 0.000 1.167 320 W HN 0.475 nan 8.180 nan 0.000 0.574 321 D N 3.795 124.505 120.400 0.518 0.000 2.393 321 D HA 0.166 4.805 4.640 -0.000 0.000 0.232 321 D C -1.592 174.878 176.300 0.283 0.000 1.192 321 D CA -2.255 51.927 54.000 0.303 0.000 0.882 321 D CB 1.250 42.176 40.800 0.211 0.000 1.038 321 D HN -0.049 nan 8.370 nan 0.000 0.499 322 P HA -0.166 nan 4.420 nan 0.000 0.217 322 P C 1.494 178.863 177.300 0.115 0.000 1.148 322 P CA 0.542 63.744 63.100 0.169 0.000 0.828 322 P CB 0.283 32.063 31.700 0.133 0.000 0.783 323 L N -1.477 119.798 121.223 0.087 0.000 2.141 323 L HA -0.083 4.256 4.340 -0.000 0.000 0.209 323 L C 1.996 178.872 176.870 0.010 0.000 1.094 323 L CA 2.068 56.935 54.840 0.046 0.000 0.763 323 L CB -1.865 40.216 42.059 0.038 0.000 0.908 323 L HN 0.082 nan 8.230 nan 0.000 0.437 324 T N -1.275 113.258 114.554 -0.036 0.000 2.898 324 T HA 0.064 4.414 4.350 -0.000 0.000 0.241 324 T C 0.225 174.771 174.700 -0.256 0.000 1.024 324 T CA 0.380 62.330 62.100 -0.250 0.000 1.174 324 T CB -0.003 68.555 68.868 -0.516 0.000 0.873 324 T HN -0.060 nan 8.240 nan 0.000 0.422 325 F N 1.701 121.790 119.950 0.231 0.000 2.310 325 F HA 0.416 4.943 4.527 -0.000 0.000 0.365 325 F C -2.060 173.784 175.800 0.074 0.000 1.080 325 F CA -3.208 54.883 58.000 0.152 0.000 1.187 325 F CB 0.929 40.050 39.000 0.202 0.000 1.465 325 F HN 0.043 nan 8.300 nan 0.000 0.496 326 P HA -0.153 nan 4.420 nan 0.000 0.215 326 P C 0.191 177.512 177.300 0.036 0.000 1.153 326 P CA 1.406 64.567 63.100 0.100 0.000 0.853 326 P CB 0.315 32.057 31.700 0.071 0.000 0.788 327 D N -1.863 118.535 120.400 -0.005 0.000 2.477 327 D HA 0.162 4.802 4.640 -0.000 0.000 0.239 327 D C -1.874 174.278 176.300 -0.246 0.000 1.102 327 D CA -2.334 51.605 54.000 -0.101 0.000 0.901 327 D CB 0.498 41.252 40.800 -0.076 0.000 1.026 327 D HN -0.068 nan 8.370 nan 0.000 0.515 328 P HA -0.062 nan 4.420 nan 0.000 0.213 328 P C 1.195 178.088 177.300 -0.678 0.000 1.170 328 P CA 0.662 63.216 63.100 -0.910 0.000 0.889 328 P CB 0.419 31.240 31.700 -1.466 0.000 0.782 329 E N 0.095 120.020 120.200 -0.458 0.000 2.110 329 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 329 E C 1.275 177.723 176.600 -0.254 0.000 0.988 329 E CA 0.685 56.895 56.400 -0.316 0.000 0.804 329 E CB -0.721 28.851 29.700 -0.213 0.000 0.745 329 E HN 0.119 nan 8.360 nan 0.000 0.458 333 R N 1.415 121.807 120.500 -0.179 0.000 2.127 333 R HA -0.012 4.327 4.340 -0.000 0.000 0.238 333 R C 2.046 178.269 176.300 -0.129 0.000 1.134 333 R CA 1.418 57.430 56.100 -0.147 0.000 0.975 333 R CB -0.602 29.618 30.300 -0.133 0.000 0.865 333 R HN 0.427 nan 8.270 nan 0.000 0.447 334 R N 0.012 120.437 120.500 -0.124 0.000 2.075 334 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 334 R C 2.270 178.504 176.300 -0.111 0.000 1.126 334 R CA 0.709 56.745 56.100 -0.106 0.000 0.963 334 R CB -0.256 29.987 30.300 -0.095 0.000 0.858 334 R HN 0.047 nan 8.270 nan 0.000 0.435 335 L N 1.352 122.505 121.223 -0.117 0.000 2.017 335 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 335 L C 1.062 177.854 176.870 -0.129 0.000 1.073 335 L CA 1.788 56.556 54.840 -0.121 0.000 0.745 335 L CB -0.870 41.136 42.059 -0.089 0.000 0.894 335 L HN 0.182 nan 8.230 nan 0.000 0.432 336 K N -0.960 119.357 120.400 -0.138 0.000 2.462 336 K HA 0.258 4.578 4.320 -0.000 0.000 0.257 336 K C 0.892 177.412 176.600 -0.135 0.000 1.062 336 K CA 0.312 56.504 56.287 -0.157 0.000 0.923 336 K CB 0.006 32.401 32.500 -0.175 0.000 1.210 336 K HN 0.112 nan 8.250 nan 0.000 0.502 337 A N 0.664 123.405 122.820 -0.132 0.000 2.748 337 A HA -0.244 4.076 4.320 -0.000 0.000 0.297 337 A C 0.694 178.218 177.584 -0.101 0.000 1.508 337 A CA 2.159 54.130 52.037 -0.109 0.000 0.799 337 A CB -1.574 17.365 19.000 -0.102 0.000 1.011 337 A HN 0.732 nan 8.150 nan 0.000 0.500 338 K N -2.633 117.702 120.400 -0.108 0.000 2.598 338 K HA 0.363 4.683 4.320 -0.000 0.000 0.169 338 K C 1.099 177.637 176.600 -0.103 0.000 1.370 338 K CA 0.903 57.130 56.287 -0.099 0.000 1.121 338 K CB -0.560 31.879 32.500 -0.101 0.000 1.178 338 K HN 1.834 nan 8.250 nan 0.000 0.536 339 G N 1.269 110.000 108.800 -0.115 0.000 2.241 339 G HA2 -0.249 3.710 3.960 -0.000 0.000 0.244 339 G HA3 -0.249 3.710 3.960 -0.000 0.000 0.244 339 G C -0.112 174.701 174.900 -0.145 0.000 0.998 339 G CA 0.368 45.399 45.100 -0.114 0.000 0.621 339 G HN 0.143 nan 8.290 nan 0.000 0.519 340 L N 1.208 122.335 121.223 -0.159 0.000 2.349 340 L HA 0.458 4.798 4.340 -0.000 0.000 0.275 340 L C 0.473 177.179 176.870 -0.274 0.000 1.115 340 L CA -0.524 54.205 54.840 -0.185 0.000 0.820 340 L CB 0.923 42.895 42.059 -0.144 0.000 1.135 340 L HN -0.058 nan 8.230 nan 0.000 0.445 341 K N 4.415 124.587 120.400 -0.380 0.000 2.123 341 K HA 0.566 4.886 4.320 -0.000 0.000 0.259 341 K C -0.509 175.842 176.600 -0.416 0.000 0.960 341 K CA -0.623 55.317 56.287 -0.578 0.000 0.872 341 K CB 2.544 34.404 32.500 -1.067 0.000 1.079 341 K HN 0.437 nan 8.250 nan 0.000 0.440 342 I N -1.233 119.124 120.570 -0.356 0.000 2.646 342 I HA 0.476 4.646 4.170 -0.000 0.000 0.299 342 I C -0.611 175.359 176.117 -0.245 0.000 1.036 342 I CA -0.949 60.227 61.300 -0.207 0.000 1.074 342 I CB 1.172 39.159 38.000 -0.021 0.000 1.258 342 I HN 0.525 nan 8.210 nan 0.000 0.430 343 C N 6.199 125.399 119.300 -0.165 0.000 2.561 343 C HA 0.890 5.350 4.460 -0.000 0.000 0.319 343 C C -0.203 174.761 174.990 -0.043 0.000 1.198 343 C CA -0.125 58.843 59.018 -0.082 0.000 1.665 343 C CB 0.909 28.721 27.740 0.119 0.000 2.258 343 C HN 0.868 nan 8.230 nan 0.000 0.493 344 V N 2.764 122.655 119.914 -0.038 0.000 2.735 344 V HA 0.674 4.794 4.120 -0.000 0.000 0.310 344 V C -0.756 175.532 176.094 0.324 0.000 1.061 344 V CA -0.789 61.472 62.300 -0.065 0.000 0.913 344 V CB 1.378 32.980 31.823 -0.367 0.000 1.005 344 V HN 1.095 nan 8.190 nan 0.000 0.428 345 W N 6.273 127.722 121.300 0.248 0.000 2.190 345 W HA 0.714 5.374 4.660 -0.000 0.000 0.330 345 W C -0.252 176.538 176.519 0.452 0.000 1.299 345 W CA 0.160 57.745 57.345 0.401 0.000 1.215 345 W CB 0.782 30.428 29.460 0.310 0.000 1.147 345 W HN 0.912 nan 8.180 nan 0.000 0.563 346 I N 3.241 123.461 120.570 -0.584 0.000 3.066 346 I HA 0.573 4.742 4.170 -0.000 0.000 0.307 346 I C -1.356 174.206 176.117 -0.926 0.000 1.366 346 I CA -1.175 59.768 61.300 -0.594 0.000 0.972 346 I CB 2.035 40.027 38.000 -0.014 0.000 1.307 346 I HN 0.725 nan 8.210 nan 0.000 0.470 347 N N 1.469 119.853 118.700 -0.527 0.000 2.927 347 N HA 0.532 5.272 4.740 -0.000 0.000 0.248 347 N C -2.828 172.615 175.510 -0.112 0.000 1.443 347 N CA -1.545 51.311 53.050 -0.323 0.000 0.870 347 N CB 2.580 40.776 38.487 -0.485 0.000 1.444 347 N HN 0.414 nan 8.380 nan 0.000 0.519 348 P HA 0.201 nan 4.420 nan 0.000 0.254 348 P C -1.196 176.241 177.300 0.229 0.000 1.494 348 P CA 0.313 63.304 63.100 -0.181 0.000 0.961 348 P CB -0.363 31.004 31.700 -0.554 0.000 1.493 349 Y N -0.049 120.438 120.300 0.311 0.000 2.598 349 Y HA 0.620 5.170 4.550 -0.000 0.000 0.340 349 Y C 0.329 176.368 175.900 0.231 0.000 1.038 349 Y CA -2.423 55.802 58.100 0.208 0.000 1.100 349 Y CB 1.497 40.111 38.460 0.257 0.000 1.281 349 Y HN -0.239 nan 8.280 nan 0.000 0.488 350 I N 0.840 121.582 120.570 0.287 0.000 2.571 350 I HA 0.668 4.838 4.170 -0.000 0.000 0.289 350 I C -0.178 176.122 176.117 0.306 0.000 1.115 350 I CA -0.534 60.921 61.300 0.260 0.000 1.045 350 I CB 1.505 39.552 38.000 0.078 0.000 1.238 350 I HN 0.762 nan 8.210 nan 0.000 0.424 351 G N 4.507 113.439 108.800 0.219 0.000 2.483 351 G HA2 0.093 4.053 3.960 -0.000 0.000 0.248 351 G HA3 0.093 4.053 3.960 -0.000 0.000 0.248 351 G C 0.346 175.179 174.900 -0.112 0.000 1.248 351 G CA -0.218 44.911 45.100 0.048 0.000 0.838 351 G HN 0.864 nan 8.290 nan 0.000 0.566 352 Q N 1.247 120.748 119.800 -0.498 0.000 2.181 352 Q HA -0.167 4.173 4.340 -0.000 0.000 0.205 352 Q C 2.220 177.913 176.000 -0.512 0.000 0.980 352 Q CA 1.714 56.858 55.803 -1.097 0.000 0.862 352 Q CB -0.078 28.090 28.738 -0.950 0.000 0.905 352 Q HN 0.706 nan 8.270 nan 0.000 0.429 353 K N 0.367 120.609 120.400 -0.263 0.000 2.209 353 K HA -0.075 4.245 4.320 -0.000 0.000 0.204 353 K C 0.593 177.173 176.600 -0.034 0.000 1.048 353 K CA 0.744 56.952 56.287 -0.132 0.000 0.940 353 K CB -0.150 32.303 32.500 -0.079 0.000 0.729 353 K HN 0.088 nan 8.250 nan 0.000 0.451 354 S N 1.109 116.822 115.700 0.022 0.000 2.563 354 S HA 0.027 4.497 4.470 -0.000 0.000 0.294 354 S C -1.932 172.759 174.600 0.151 0.000 1.279 354 S CA -1.209 57.060 58.200 0.115 0.000 1.069 354 S CB 0.832 64.149 63.200 0.195 0.000 0.828 354 S HN 0.105 nan 8.310 nan 0.000 0.497 355 P HA -0.001 nan 4.420 nan 0.000 0.226 355 P C 1.020 178.420 177.300 0.168 0.000 1.153 355 P CA 0.242 63.423 63.100 0.134 0.000 0.777 355 P CB 0.186 31.958 31.700 0.120 0.000 0.794 356 V N -1.924 118.118 119.914 0.213 0.000 3.608 356 V HA -0.008 4.111 4.120 -0.000 0.000 0.269 356 V C 1.664 177.838 176.094 0.134 0.000 1.245 356 V CA 0.303 62.731 62.300 0.214 0.000 1.138 356 V CB -1.074 30.959 31.823 0.351 0.000 0.841 356 V HN -0.035 nan 8.190 nan 0.000 0.451 357 F N 2.375 122.341 119.950 0.027 0.000 2.069 357 F HA -0.250 4.277 4.527 -0.000 0.000 0.298 357 F C 2.441 178.206 175.800 -0.058 0.000 1.113 357 F CA 2.577 60.558 58.000 -0.032 0.000 1.214 357 F CB -0.158 38.826 39.000 -0.027 0.000 0.978 357 F HN 0.256 nan 8.300 nan 0.000 0.474 358 K N 0.055 120.568 120.400 0.189 0.000 2.103 358 K HA -0.273 4.047 4.320 -0.000 0.000 0.207 358 K C 2.018 178.578 176.600 -0.066 0.000 1.048 358 K CA 1.935 58.268 56.287 0.077 0.000 0.930 358 K CB -0.881 31.676 32.500 0.094 0.000 0.716 358 K HN 0.504 nan 8.250 nan 0.000 0.444 359 E N 0.964 121.123 120.200 -0.068 0.000 2.015 359 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 359 E C 2.013 178.437 176.600 -0.294 0.000 0.991 359 E CA 0.794 57.120 56.400 -0.124 0.000 0.802 359 E CB 0.043 29.722 29.700 -0.035 0.000 0.759 359 E HN 0.179 nan 8.360 nan 0.000 0.447 360 L N 1.458 122.454 121.223 -0.378 0.000 2.079 360 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 360 L C 2.535 179.125 176.870 -0.467 0.000 1.081 360 L CA 1.748 56.285 54.840 -0.504 0.000 0.752 360 L CB -1.005 40.743 42.059 -0.517 0.000 0.896 360 L HN 0.314 nan 8.230 nan 0.000 0.433 361 Q N -0.534 118.997 119.800 -0.447 0.000 2.079 361 Q HA -0.205 4.135 4.340 -0.000 0.000 0.200 361 Q C 2.006 177.865 176.000 -0.234 0.000 0.974 361 Q CA 1.592 57.188 55.803 -0.344 0.000 0.840 361 Q CB 0.065 28.635 28.738 -0.281 0.000 0.898 361 Q HN 0.571 nan 8.270 nan 0.000 0.430 362 E N 0.007 120.078 120.200 -0.215 0.000 2.106 362 E HA -0.142 4.208 4.350 -0.000 0.000 0.192 362 E C 1.759 178.224 176.600 -0.225 0.000 0.984 362 E CA 0.841 57.141 56.400 -0.168 0.000 0.806 362 E CB 0.179 29.805 29.700 -0.124 0.000 0.750 362 E HN 0.202 nan 8.360 nan 0.000 0.458 363 K N -0.330 119.829 120.400 -0.401 0.000 2.486 363 K HA 0.028 4.348 4.320 -0.000 0.000 0.194 363 K C 1.092 177.408 176.600 -0.474 0.000 1.033 363 K CA 0.782 56.709 56.287 -0.600 0.000 1.004 363 K CB 0.360 32.074 32.500 -1.311 0.000 0.798 363 K HN 0.263 nan 8.250 nan 0.000 0.495 364 G N 1.616 110.246 108.800 -0.284 0.000 2.225 364 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.264 364 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.264 364 G C 0.366 175.347 174.900 0.135 0.000 1.060 364 G CA 0.157 45.228 45.100 -0.047 0.000 0.833 364 G HN 0.518 nan 8.290 nan 0.000 0.498 365 Y N -0.948 119.285 120.300 -0.112 0.000 2.482 365 Y HA 0.360 4.910 4.550 -0.000 0.000 0.270 365 Y C 1.613 177.441 175.900 -0.121 0.000 1.152 365 Y CA -0.421 57.617 58.100 -0.104 0.000 1.292 365 Y CB 0.398 38.766 38.460 -0.153 0.000 1.070 365 Y HN 0.224 nan 8.280 nan 0.000 0.528 366 L N 0.904 122.101 121.223 -0.044 0.000 2.322 366 L HA 0.283 4.623 4.340 -0.000 0.000 0.279 366 L C -0.035 176.764 176.870 -0.118 0.000 1.036 366 L CA -0.852 53.899 54.840 -0.148 0.000 0.807 366 L CB 1.812 43.699 42.059 -0.287 0.000 1.226 366 L HN 0.035 nan 8.230 nan 0.000 0.433 367 L N 3.295 124.409 121.223 -0.182 0.000 2.640 367 L HA -0.031 4.309 4.340 -0.000 0.000 0.280 367 L C 0.032 176.784 176.870 -0.197 0.000 1.229 367 L CA 0.892 55.537 54.840 -0.325 0.000 0.919 367 L CB 0.062 41.791 42.059 -0.551 0.000 1.168 367 L HN 0.663 nan 8.230 nan 0.000 0.496 368 K N 4.883 125.165 120.400 -0.197 0.000 2.221 368 K HA 0.516 4.836 4.320 -0.000 0.000 0.243 368 K C -0.512 176.033 176.600 -0.091 0.000 0.968 368 K CA -0.952 55.281 56.287 -0.090 0.000 0.846 368 K CB 1.932 34.401 32.500 -0.052 0.000 1.141 368 K HN 0.543 nan 8.250 nan 0.000 0.434 369 R N 0.821 121.315 120.500 -0.010 0.000 2.583 369 R HA 0.106 4.446 4.340 -0.000 0.000 0.268 369 R C -1.732 174.559 176.300 -0.014 0.000 1.101 369 R CA -1.677 54.429 56.100 0.011 0.000 1.180 369 R CB 0.027 30.357 30.300 0.050 0.000 1.128 369 R HN 0.313 nan 8.270 nan 0.000 0.568 370 P HA -0.176 nan 4.420 nan 0.000 0.219 370 P C 0.176 177.474 177.300 -0.003 0.000 1.146 370 P CA 1.325 64.423 63.100 -0.003 0.000 0.808 370 P CB 0.080 31.786 31.700 0.010 0.000 0.779 371 D N -1.962 118.439 120.400 0.001 0.000 2.336 371 D HA 0.073 4.713 4.640 -0.000 0.000 0.229 371 D C 1.417 177.714 176.300 -0.005 0.000 1.061 371 D CA 0.542 54.541 54.000 -0.001 0.000 0.875 371 D CB -0.967 39.833 40.800 0.001 0.000 0.904 371 D HN 0.216 nan 8.370 nan 0.000 0.525 372 G N -0.002 108.793 108.800 -0.009 0.000 2.199 372 G HA2 -0.299 3.660 3.960 -0.000 0.000 0.254 372 G HA3 -0.299 3.660 3.960 -0.000 0.000 0.254 372 G C 0.475 175.368 174.900 -0.011 0.000 0.982 372 G CA 0.500 45.594 45.100 -0.011 0.000 0.632 372 G HN 0.837 nan 8.290 nan 0.000 0.529 373 S N 0.069 115.764 115.700 -0.008 0.000 2.645 373 S HA 0.759 5.228 4.470 -0.000 0.000 0.266 373 S C 0.525 175.122 174.600 -0.004 0.000 1.258 373 S CA -0.863 57.332 58.200 -0.008 0.000 0.990 373 S CB 1.528 64.721 63.200 -0.011 0.000 0.967 373 S HN 0.628 nan 8.310 nan 0.000 0.556 374 L N 0.793 122.015 121.223 -0.001 0.000 2.397 374 L HA 0.292 4.632 4.340 -0.000 0.000 0.271 374 L C -0.132 176.757 176.870 0.033 0.000 1.148 374 L CA -0.611 54.239 54.840 0.016 0.000 0.825 374 L CB 0.399 42.479 42.059 0.036 0.000 1.117 374 L HN 0.823 nan 8.230 nan 0.000 0.456 375 W N 3.960 125.185 121.300 -0.125 0.000 2.316 375 W HA 0.368 5.028 4.660 -0.000 0.000 0.311 375 W C -0.470 175.975 176.519 -0.122 0.000 1.217 375 W CA -0.044 57.211 57.345 -0.150 0.000 1.199 375 W CB 0.688 30.002 29.460 -0.242 0.000 1.202 375 W HN 0.444 nan 8.180 nan 0.000 0.528 376 Q N 4.981 124.263 119.800 -0.864 0.000 2.534 376 Q HA 0.410 4.750 4.340 -0.000 0.000 0.290 376 Q C -1.315 174.191 176.000 -0.823 0.000 0.991 376 Q CA -0.901 54.514 55.803 -0.646 0.000 0.783 376 Q CB 2.664 31.270 28.738 -0.219 0.000 1.470 376 Q HN 0.552 nan 8.270 nan 0.000 0.406 377 W N 0.080 121.023 121.300 -0.594 0.000 2.982 377 W HA 0.409 5.069 4.660 -0.000 0.000 0.344 377 W C -1.464 174.943 176.519 -0.186 0.000 1.215 377 W CA -0.896 56.212 57.345 -0.394 0.000 1.182 377 W CB -0.095 29.135 29.460 -0.384 0.000 1.437 377 W HN 0.540 nan 8.180 nan 0.000 0.570 378 D N 1.121 121.482 120.400 -0.065 0.000 2.395 378 D HA 0.054 4.694 4.640 -0.000 0.000 0.226 378 D C 0.051 176.189 176.300 -0.270 0.000 1.146 378 D CA 0.269 54.178 54.000 -0.152 0.000 0.830 378 D CB 0.474 41.187 40.800 -0.144 0.000 0.958 378 D HN 0.028 nan 8.370 nan 0.000 0.501 379 K N 0.397 120.414 120.400 -0.640 0.000 2.234 379 K HA 0.025 4.345 4.320 -0.000 0.000 0.282 379 K C 0.815 177.446 176.600 0.052 0.000 1.039 379 K CA -0.448 55.524 56.287 -0.526 0.000 0.928 379 K CB 2.056 33.809 32.500 -1.245 0.000 1.039 379 K HN 0.250 nan 8.250 nan 0.000 0.470 380 W N 1.219 122.523 121.300 0.006 0.000 0.537 380 W HA -0.320 4.340 4.660 -0.000 0.000 0.215 380 W C -0.876 175.732 176.519 0.148 0.000 0.916 380 W CA 1.385 58.833 57.345 0.172 0.000 0.333 380 W CB -0.437 29.171 29.460 0.247 0.000 1.910 380 W HN 0.549 nan 8.180 nan 0.000 1.297 381 Q N 0.170 119.977 119.800 0.012 0.000 2.345 381 Q HA 0.403 4.742 4.340 -0.000 0.000 0.275 381 Q C -2.412 173.554 176.000 -0.057 0.000 1.063 381 Q CA -1.760 53.970 55.803 -0.121 0.000 0.819 381 Q CB 1.748 30.448 28.738 -0.064 0.000 1.356 381 Q HN -0.152 nan 8.270 nan 0.000 0.418 382 P HA 0.042 nan 4.420 nan 0.000 0.267 382 P C 0.468 177.657 177.300 -0.184 0.000 1.209 382 P CA 0.795 63.766 63.100 -0.214 0.000 0.763 382 P CB 0.305 31.775 31.700 -0.384 0.000 0.816 383 G N 3.038 111.746 108.800 -0.152 0.000 2.341 383 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.292 383 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.292 383 G C 0.062 174.914 174.900 -0.080 0.000 1.021 383 G CA -0.230 44.770 45.100 -0.166 0.000 0.905 383 G HN 0.598 nan 8.290 nan 0.000 0.508 384 L N -0.009 121.259 121.223 0.076 0.000 2.540 384 L HA 0.481 4.821 4.340 -0.000 0.000 0.276 384 L C 0.770 177.783 176.870 0.238 0.000 1.212 384 L CA 0.627 55.594 54.840 0.212 0.000 0.893 384 L CB 0.452 42.727 42.059 0.361 0.000 1.138 384 L HN 0.591 nan 8.230 nan 0.000 0.491 385 A N 6.242 129.235 122.820 0.290 0.000 2.387 385 A HA 0.833 5.153 4.320 -0.000 0.000 0.298 385 A C -0.893 176.750 177.584 0.097 0.000 1.165 385 A CA -0.721 51.448 52.037 0.220 0.000 0.814 385 A CB 1.181 20.309 19.000 0.213 0.000 1.357 385 A HN 0.672 nan 8.150 nan 0.000 0.443 386 I N 0.260 120.819 120.570 -0.017 0.000 2.498 386 I HA 0.269 4.438 4.170 -0.000 0.000 0.290 386 I C -1.327 174.692 176.117 -0.164 0.000 1.032 386 I CA -0.498 60.777 61.300 -0.043 0.000 1.073 386 I CB 1.688 39.605 38.000 -0.139 0.000 1.251 386 I HN 0.610 nan 8.210 nan 0.000 0.426 387 Y N 3.577 123.798 120.300 -0.133 0.000 2.632 387 Y HA -0.031 4.519 4.550 -0.000 0.000 0.329 387 Y C 0.840 176.503 175.900 -0.395 0.000 1.174 387 Y CA 0.229 58.114 58.100 -0.357 0.000 1.469 387 Y CB 0.109 38.135 38.460 -0.723 0.000 1.242 387 Y HN 0.420 nan 8.280 nan 0.000 0.540 388 D N 4.015 124.401 120.400 -0.023 0.000 2.483 388 D HA 0.041 4.681 4.640 -0.000 0.000 0.220 388 D C -0.265 176.147 176.300 0.187 0.000 1.173 388 D CA -0.125 53.996 54.000 0.203 0.000 0.964 388 D CB -0.202 40.710 40.800 0.187 0.000 1.046 388 D HN 0.335 nan 8.370 nan 0.000 0.517 389 F N 1.662 121.792 119.950 0.300 0.000 2.733 389 F HA 0.044 4.571 4.527 -0.000 0.000 0.301 389 F C 2.188 178.003 175.800 0.025 0.000 1.240 389 F CA 0.211 58.222 58.000 0.019 0.000 1.432 389 F CB -0.238 38.633 39.000 -0.215 0.000 1.089 389 F HN 0.240 nan 8.300 nan 0.000 0.533 390 T N -1.245 113.487 114.554 0.297 0.000 3.023 390 T HA 0.030 4.380 4.350 -0.000 0.000 0.253 390 T C 0.580 175.367 174.700 0.145 0.000 1.038 390 T CA 0.083 62.332 62.100 0.249 0.000 0.962 390 T CB -0.200 68.902 68.868 0.389 0.000 1.018 390 T HN 0.005 nan 8.240 nan 0.000 0.521 391 N N 1.870 120.550 118.700 -0.033 0.000 2.457 391 N HA 0.248 4.988 4.740 -0.000 0.000 0.250 391 N C -2.223 173.080 175.510 -0.345 0.000 0.982 391 N CA -2.117 50.599 53.050 -0.555 0.000 0.941 391 N CB 2.059 40.208 38.487 -0.564 0.000 1.120 391 N HN -0.064 nan 8.380 nan 0.000 0.505 392 P HA -0.122 nan 4.420 nan 0.000 0.216 392 P C 0.392 177.591 177.300 -0.169 0.000 1.154 392 P CA 1.251 64.260 63.100 -0.151 0.000 0.865 392 P CB 0.426 32.077 31.700 -0.082 0.000 0.789 393 D N -1.174 119.075 120.400 -0.251 0.000 2.178 393 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 393 D C 1.991 177.916 176.300 -0.624 0.000 0.974 393 D CA 1.331 55.163 54.000 -0.281 0.000 0.841 393 D CB -0.705 40.034 40.800 -0.101 0.000 0.953 393 D HN 0.077 nan 8.370 nan 0.000 0.478 394 A N 0.212 122.589 122.820 -0.740 0.000 1.930 394 A HA -0.151 4.168 4.320 -0.000 0.000 0.217 394 A C 2.465 180.048 177.584 -0.001 0.000 1.175 394 A CA 1.012 52.692 52.037 -0.595 0.000 0.627 394 A CB -0.831 18.020 19.000 -0.249 0.000 0.815 394 A HN 0.328 nan 8.150 nan 0.000 0.443 395 C N -0.653 118.664 119.300 0.030 0.000 2.425 395 C HA -0.039 4.420 4.460 -0.000 0.000 0.277 395 C C 2.714 177.725 174.990 0.035 0.000 1.280 395 C CA 1.172 60.238 59.018 0.080 0.000 1.744 395 C CB -0.707 27.023 27.740 -0.017 0.000 1.989 395 C HN 0.542 nan 8.230 nan 0.000 0.491 396 K N -0.178 120.220 120.400 -0.004 0.000 2.001 396 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 396 K C 1.899 178.525 176.600 0.042 0.000 1.048 396 K CA 1.577 57.862 56.287 -0.004 0.000 0.932 396 K CB -0.591 31.909 32.500 -0.002 0.000 0.715 396 K HN 0.734 nan 8.250 nan 0.000 0.437 397 W N 0.572 121.824 121.300 -0.080 0.000 2.333 397 W HA -0.299 4.361 4.660 -0.000 0.000 0.316 397 W C 2.217 178.728 176.519 -0.013 0.000 1.215 397 W CA 2.176 59.522 57.345 0.002 0.000 1.278 397 W CB -0.721 28.788 29.460 0.082 0.000 1.154 397 W HN 0.215 nan 8.180 nan 0.000 0.486 398 Y N 0.703 121.153 120.300 0.250 0.000 2.181 398 Y HA -0.215 4.335 4.550 -0.000 0.000 0.288 398 Y C 2.388 178.063 175.900 -0.374 0.000 1.146 398 Y CA 2.794 60.892 58.100 -0.003 0.000 1.164 398 Y CB -0.902 37.653 38.460 0.159 0.000 0.982 398 Y HN 0.004 nan 8.280 nan 0.000 0.515 399 A N -0.130 122.624 122.820 -0.110 0.000 1.930 399 A HA -0.178 4.141 4.320 -0.000 0.000 0.217 399 A C 1.919 179.291 177.584 -0.353 0.000 1.175 399 A CA 1.871 53.764 52.037 -0.239 0.000 0.627 399 A CB -0.726 18.180 19.000 -0.156 0.000 0.815 399 A HN 0.515 nan 8.150 nan 0.000 0.443 400 D N 0.117 120.307 120.400 -0.350 0.000 2.117 400 D HA -0.128 4.512 4.640 -0.000 0.000 0.197 400 D C 1.767 177.767 176.300 -0.500 0.000 0.987 400 D CA 1.095 54.877 54.000 -0.362 0.000 0.829 400 D CB -0.177 40.425 40.800 -0.329 0.000 0.961 400 D HN 0.233 nan 8.370 nan 0.000 0.460 401 K N 0.619 120.542 120.400 -0.795 0.000 2.097 401 K HA -0.050 4.270 4.320 -0.000 0.000 0.206 401 K C 2.394 178.479 176.600 -0.859 0.000 1.049 401 K CA 0.301 56.005 56.287 -0.972 0.000 0.933 401 K CB -0.543 30.943 32.500 -1.691 0.000 0.717 401 K HN 0.280 nan 8.250 nan 0.000 0.442 402 L N 0.823 121.518 121.223 -0.880 0.000 2.027 402 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 402 L C 2.356 179.081 176.870 -0.241 0.000 1.074 402 L CA 1.301 55.771 54.840 -0.617 0.000 0.745 402 L CB -0.384 41.266 42.059 -0.682 0.000 0.898 402 L HN 0.149 nan 8.230 nan 0.000 0.433 403 K N 0.086 120.336 120.400 -0.249 0.000 2.152 403 K HA -0.140 4.180 4.320 -0.000 0.000 0.206 403 K C 2.086 178.615 176.600 -0.118 0.000 1.048 403 K CA 1.218 57.419 56.287 -0.144 0.000 0.933 403 K CB -0.437 31.970 32.500 -0.155 0.000 0.721 403 K HN 0.421 nan 8.250 nan 0.000 0.447 404 G N 1.079 109.782 108.800 -0.162 0.000 2.418 404 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.217 404 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.217 404 G C 1.338 176.217 174.900 -0.036 0.000 1.158 404 G CA 0.511 45.549 45.100 -0.104 0.000 0.771 404 G HN 0.042 nan 8.290 nan 0.000 0.545 405 L N 0.420 121.641 121.223 -0.003 0.000 2.156 405 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 405 L C 2.979 179.852 176.870 0.005 0.000 1.095 405 L CA 0.669 55.550 54.840 0.068 0.000 0.770 405 L CB -0.590 41.575 42.059 0.176 0.000 0.914 405 L HN 0.077 nan 8.230 nan 0.000 0.439 406 V N -0.460 119.462 119.914 0.014 0.000 2.358 406 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 406 V C 1.756 177.799 176.094 -0.085 0.000 1.047 406 V CA 0.865 63.130 62.300 -0.059 0.000 1.035 406 V CB -0.911 30.892 31.823 -0.033 0.000 0.658 406 V HN 0.406 nan 8.190 nan 0.000 0.452 410 V N 2.485 122.271 119.914 -0.212 0.000 2.617 410 V HA 0.102 4.221 4.120 -0.000 0.000 0.304 410 V C 0.760 176.647 176.094 -0.346 0.000 1.040 410 V CA 1.094 63.219 62.300 -0.290 0.000 1.149 410 V CB 1.137 32.773 31.823 -0.312 0.000 0.914 410 V HN 0.333 nan 8.190 nan 0.000 0.487 411 D N 2.294 122.468 120.400 -0.376 0.000 2.380 411 D HA 0.147 4.787 4.640 -0.000 0.000 0.212 411 D C 0.419 176.550 176.300 -0.280 0.000 1.021 411 D CA 0.800 54.611 54.000 -0.315 0.000 0.884 411 D CB 0.816 41.383 40.800 -0.388 0.000 1.001 411 D HN 0.760 nan 8.370 nan 0.000 0.506 412 C N -1.157 117.881 119.300 -0.436 0.000 3.321 412 C HA 0.754 5.214 4.460 -0.000 0.000 0.329 412 C C -1.490 173.135 174.990 -0.608 0.000 1.394 412 C CA -1.287 57.507 59.018 -0.373 0.000 1.291 412 C CB 0.678 28.486 27.740 0.113 0.000 1.606 412 C HN -0.072 nan 8.230 nan 0.000 0.463 413 F N 0.483 120.494 119.950 0.102 0.000 2.563 413 F HA 0.672 5.199 4.527 -0.000 0.000 0.316 413 F C 0.208 176.067 175.800 0.097 0.000 1.076 413 F CA -0.703 57.347 58.000 0.085 0.000 0.921 413 F CB 1.715 40.735 39.000 0.032 0.000 1.209 413 F HN 0.748 nan 8.300 nan 0.000 0.462 414 K N 1.778 122.357 120.400 0.298 0.000 2.296 414 K HA 0.243 4.563 4.320 -0.000 0.000 0.257 414 K C -0.472 176.140 176.600 0.021 0.000 1.088 414 K CA -0.336 56.035 56.287 0.140 0.000 0.980 414 K CB 0.350 32.915 32.500 0.109 0.000 1.430 414 K HN 0.773 nan 8.250 nan 0.000 0.441 415 T N 0.871 115.426 114.554 0.002 0.000 2.978 415 T HA 0.073 4.423 4.350 -0.000 0.000 0.278 415 T C 0.066 174.787 174.700 0.035 0.000 0.945 415 T CA -0.683 61.386 62.100 -0.052 0.000 1.070 415 T CB 0.232 68.876 68.868 -0.372 0.000 0.948 415 T HN 0.363 nan 8.240 nan 0.000 0.617 416 D N 1.633 122.038 120.400 0.008 0.000 2.388 416 D HA 0.514 5.154 4.640 -0.000 0.000 0.254 416 D C 0.684 177.179 176.300 0.325 0.000 1.111 416 D CA -0.872 53.207 54.000 0.133 0.000 0.993 416 D CB 0.321 41.286 40.800 0.276 0.000 1.118 416 D HN 0.440 nan 8.370 nan 0.000 0.502 417 F N -0.278 119.693 119.950 0.034 0.000 2.089 417 F HA -0.172 4.355 4.527 -0.000 0.000 0.296 417 F C 1.746 177.613 175.800 0.112 0.000 0.129 417 F CA 1.405 59.433 58.000 0.047 0.000 0.853 417 F CB -1.433 37.513 39.000 -0.090 0.000 3.845 417 F HN 0.579 nan 8.300 nan 0.000 0.279 418 G N -1.117 107.875 108.800 0.320 0.000 2.163 418 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.213 418 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.213 418 G C 0.418 175.499 174.900 0.301 0.000 0.991 418 G CA 0.622 45.900 45.100 0.297 0.000 0.653 418 G HN 0.720 nan 8.290 nan 0.000 0.518 419 E N 0.134 120.523 120.200 0.316 0.000 2.079 419 E HA 0.220 4.570 4.350 -0.000 0.000 0.191 419 E C 1.615 178.240 176.600 0.042 0.000 0.961 419 E CA 0.272 56.771 56.400 0.165 0.000 0.823 419 E CB -0.034 29.834 29.700 0.280 0.000 0.789 419 E HN 0.424 nan 8.360 nan 0.000 0.459 420 R N 1.621 122.273 120.500 0.252 0.000 3.688 420 R HA 0.116 4.455 4.340 -0.000 0.000 0.194 420 R C -0.522 175.741 176.300 -0.061 0.000 1.677 420 R CA 0.005 56.246 56.100 0.234 0.000 1.351 420 R CB -0.235 30.346 30.300 0.468 0.000 1.338 420 R HN 0.090 nan 8.270 nan 0.000 0.731 421 I N 4.343 124.802 120.570 -0.186 0.000 2.304 421 I HA 0.233 4.403 4.170 -0.000 0.000 0.291 421 I C -1.647 174.391 176.117 -0.132 0.000 1.018 421 I CA -3.252 57.860 61.300 -0.314 0.000 1.260 421 I CB 0.856 38.643 38.000 -0.355 0.000 1.390 421 I HN 0.155 nan 8.210 nan 0.000 0.475 422 P HA 0.145 nan 4.420 nan 0.000 0.272 422 P C 0.460 177.682 177.300 -0.129 0.000 1.240 422 P CA 0.039 62.871 63.100 -0.446 0.000 0.791 422 P CB 0.916 31.861 31.700 -1.259 0.000 0.978 423 T N -4.260 110.305 114.554 0.018 0.000 2.959 423 T HA 0.036 4.385 4.350 -0.000 0.000 0.254 423 T C 0.414 175.154 174.700 0.067 0.000 1.003 423 T CA -0.122 62.053 62.100 0.125 0.000 0.950 423 T CB -0.505 68.496 68.868 0.220 0.000 1.090 423 T HN 0.375 nan 8.240 nan 0.000 0.503 424 D N 2.056 122.477 120.400 0.036 0.000 2.845 424 D HA 0.469 5.108 4.640 -0.000 0.000 0.235 424 D C -0.101 176.208 176.300 0.014 0.000 1.158 424 D CA -0.468 53.569 54.000 0.062 0.000 0.990 424 D CB 0.442 41.315 40.800 0.122 0.000 1.094 424 D HN 0.303 nan 8.370 nan 0.000 0.486 425 V N -0.436 119.443 119.914 -0.057 0.000 3.226 425 V HA 0.422 4.541 4.120 -0.000 0.000 0.304 425 V C -1.951 174.045 176.094 -0.163 0.000 1.336 425 V CA -0.846 61.350 62.300 -0.173 0.000 1.066 425 V CB 2.601 34.157 31.823 -0.445 0.000 1.087 425 V HN 0.359 nan 8.190 nan 0.000 0.451 426 Q N 1.685 121.345 119.800 -0.233 0.000 2.290 426 Q HA 0.371 4.711 4.340 -0.000 0.000 0.269 426 Q C -2.001 173.890 176.000 -0.183 0.000 1.016 426 Q CA -0.533 55.199 55.803 -0.118 0.000 0.754 426 Q CB 1.523 30.240 28.738 -0.035 0.000 1.247 426 Q HN 0.709 nan 8.270 nan 0.000 0.451 427 W N 3.261 124.598 121.300 0.060 0.000 2.218 427 W HA 0.154 4.814 4.660 -0.000 0.000 0.326 427 W C 1.117 177.728 176.519 0.153 0.000 1.276 427 W CA -0.542 56.871 57.345 0.112 0.000 1.210 427 W CB 0.321 29.854 29.460 0.121 0.000 1.143 427 W HN 0.726 nan 8.180 nan 0.000 0.563 428 F N 2.887 122.992 119.950 0.258 0.000 2.111 428 F HA -0.382 4.145 4.527 -0.000 0.000 0.300 428 F C 2.206 178.111 175.800 0.175 0.000 1.088 428 F CA 2.525 60.633 58.000 0.180 0.000 1.243 428 F CB -0.147 38.960 39.000 0.179 0.000 0.996 428 F HN 0.414 nan 8.300 nan 0.000 0.483 429 D N -0.901 119.794 120.400 0.492 0.000 2.349 429 D HA 0.087 4.727 4.640 -0.000 0.000 0.224 429 D C 1.734 178.144 176.300 0.184 0.000 1.029 429 D CA 0.863 55.052 54.000 0.314 0.000 0.879 429 D CB -0.680 40.300 40.800 0.301 0.000 0.906 429 D HN 0.477 nan 8.370 nan 0.000 0.528 430 G N -0.029 108.892 108.800 0.200 0.000 2.143 430 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.248 430 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.248 430 G C 0.360 175.357 174.900 0.161 0.000 0.991 430 G CA 0.334 45.526 45.100 0.154 0.000 0.689 430 G HN 0.441 nan 8.290 nan 0.000 0.522 431 S N 0.072 115.883 115.700 0.185 0.000 2.569 431 S HA 0.314 4.784 4.470 -0.000 0.000 0.274 431 S C 0.430 175.109 174.600 0.132 0.000 1.353 431 S CA 0.238 58.489 58.200 0.084 0.000 1.023 431 S CB 0.934 64.102 63.200 -0.053 0.000 0.876 431 S HN 0.482 nan 8.310 nan 0.000 0.540 432 D N 1.378 121.817 120.400 0.064 0.000 2.339 432 D HA 0.212 4.852 4.640 -0.000 0.000 0.256 432 D C -1.700 174.686 176.300 0.144 0.000 1.214 432 D CA -2.145 51.920 54.000 0.107 0.000 0.877 432 D CB 1.043 41.889 40.800 0.075 0.000 1.111 432 D HN 0.033 nan 8.370 nan 0.000 0.478 433 P HA -0.174 nan 4.420 nan 0.000 0.217 433 P C 1.155 178.632 177.300 0.294 0.000 1.148 433 P CA 1.046 64.356 63.100 0.349 0.000 0.828 433 P CB 0.301 32.185 31.700 0.307 0.000 0.783 434 Q N -0.440 119.512 119.800 0.254 0.000 2.224 434 Q HA -0.029 4.311 4.340 -0.000 0.000 0.203 434 Q C 0.896 177.079 176.000 0.305 0.000 0.970 434 Q CA 1.175 57.175 55.803 0.329 0.000 0.865 434 Q CB -0.297 28.581 28.738 0.233 0.000 0.922 434 Q HN 0.426 nan 8.270 nan 0.000 0.445 438 N N 0.139 118.794 118.700 -0.076 0.000 2.173 438 N HA -0.102 4.638 4.740 -0.000 0.000 0.184 438 N C 1.691 177.317 175.510 0.194 0.000 1.025 438 N CA 1.398 54.477 53.050 0.048 0.000 0.852 438 N CB -0.494 38.124 38.487 0.218 0.000 0.998 438 N HN 0.498 nan 8.380 nan 0.000 0.427 439 H N -0.576 118.564 119.070 0.117 0.000 2.518 439 H HA -0.149 4.407 4.556 -0.000 0.000 0.289 439 H C 1.584 177.020 175.328 0.181 0.000 1.051 439 H CA 0.823 56.966 56.048 0.159 0.000 1.280 439 H CB 0.105 29.904 29.762 0.061 0.000 1.380 439 H HN 0.258 nan 8.280 nan 0.000 0.566 440 Y N 0.816 121.106 120.300 -0.017 0.000 2.207 440 Y HA -0.248 4.302 4.550 -0.000 0.000 0.287 440 Y C 2.597 178.552 175.900 0.092 0.000 1.156 440 Y CA 1.594 59.672 58.100 -0.037 0.000 1.182 440 Y CB -0.384 38.034 38.460 -0.070 0.000 0.979 440 Y HN 0.259 nan 8.280 nan 0.000 0.521 441 A N -0.695 122.286 122.820 0.268 0.000 1.933 441 A HA -0.255 4.065 4.320 -0.000 0.000 0.218 441 A C 2.088 179.766 177.584 0.156 0.000 1.175 441 A CA 1.747 53.957 52.037 0.288 0.000 0.628 441 A CB -1.438 17.730 19.000 0.279 0.000 0.814 441 A HN 0.739 nan 8.150 nan 0.000 0.444 442 Y N 0.143 120.429 120.300 -0.024 0.000 2.133 442 Y HA -0.126 4.424 4.550 -0.000 0.000 0.287 442 Y C 2.042 177.837 175.900 -0.175 0.000 1.134 442 Y CA 1.695 59.759 58.100 -0.061 0.000 1.133 442 Y CB -0.249 38.106 38.460 -0.175 0.000 0.987 442 Y HN 0.235 nan 8.280 nan 0.000 0.502 443 I N -0.477 119.940 120.570 -0.256 0.000 2.163 443 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 443 I C 2.332 178.190 176.117 -0.432 0.000 1.085 443 I CA 1.849 62.951 61.300 -0.330 0.000 1.347 443 I CB -0.631 37.215 38.000 -0.257 0.000 1.044 443 I HN 0.375 nan 8.210 nan 0.000 0.408 444 Y N 2.249 122.214 120.300 -0.558 0.000 2.128 444 Y HA -0.290 4.260 4.550 -0.000 0.000 0.284 444 Y C 2.301 177.879 175.900 -0.536 0.000 1.154 444 Y CA 1.668 59.397 58.100 -0.618 0.000 1.149 444 Y CB -0.831 37.414 38.460 -0.359 0.000 0.976 444 Y HN 0.205 nan 8.280 nan 0.000 0.505 445 N N 0.429 118.748 118.700 -0.635 0.000 2.270 445 N HA -0.159 4.580 4.740 -0.000 0.000 0.181 445 N C 1.889 176.854 175.510 -0.908 0.000 1.016 445 N CA 1.206 53.829 53.050 -0.712 0.000 0.870 445 N CB -0.254 38.006 38.487 -0.378 0.000 0.979 445 N HN 0.648 nan 8.380 nan 0.000 0.431 446 E N 1.176 120.737 120.200 -1.065 0.000 2.077 446 E HA -0.143 4.206 4.350 -0.000 0.000 0.193 446 E C 2.045 178.217 176.600 -0.715 0.000 0.989 446 E CA 0.476 56.092 56.400 -1.308 0.000 0.800 446 E CB 0.023 29.193 29.700 -0.882 0.000 0.746 446 E HN 0.094 nan 8.360 nan 0.000 0.452 447 L N 1.200 122.069 121.223 -0.591 0.000 1.971 447 L HA -0.171 4.169 4.340 -0.000 0.000 0.215 447 L C 2.389 179.029 176.870 -0.383 0.000 1.072 447 L CA 1.711 56.267 54.840 -0.474 0.000 0.758 447 L CB -1.088 40.576 42.059 -0.659 0.000 0.889 447 L HN 0.153 nan 8.230 nan 0.000 0.433 448 V N -0.645 119.028 119.914 -0.401 0.000 2.407 448 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 448 V C 2.343 178.326 176.094 -0.185 0.000 1.055 448 V CA 2.023 64.151 62.300 -0.285 0.000 1.049 448 V CB -0.986 30.662 31.823 -0.290 0.000 0.662 448 V HN 0.680 nan 8.190 nan 0.000 0.455 449 W N 1.401 122.426 121.300 -0.458 0.000 2.358 449 W HA -0.175 4.484 4.660 -0.000 0.000 0.303 449 W C 2.214 178.582 176.519 -0.251 0.000 1.208 449 W CA 1.817 58.940 57.345 -0.371 0.000 1.274 449 W CB -0.329 28.718 29.460 -0.688 0.000 1.138 449 W HN 0.343 nan 8.180 nan 0.000 0.515 450 N N 0.552 119.143 118.700 -0.181 0.000 2.244 450 N HA -0.142 4.597 4.740 -0.000 0.000 0.183 450 N C 1.759 177.152 175.510 -0.195 0.000 1.016 450 N CA 1.505 54.454 53.050 -0.167 0.000 0.866 450 N CB -0.711 37.706 38.487 -0.117 0.000 0.980 450 N HN 0.045 nan 8.380 nan 0.000 0.430 451 V N 1.180 120.978 119.914 -0.193 0.000 2.343 451 V HA -0.175 3.945 4.120 -0.000 0.000 0.247 451 V C 2.298 178.307 176.094 -0.142 0.000 1.051 451 V CA 1.074 63.279 62.300 -0.158 0.000 1.036 451 V CB -0.359 31.365 31.823 -0.165 0.000 0.654 451 V HN 0.163 nan 8.190 nan 0.000 0.451 452 L N 0.044 121.164 121.223 -0.172 0.000 2.017 452 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 452 L C 2.407 179.109 176.870 -0.280 0.000 1.073 452 L CA 1.988 56.708 54.840 -0.201 0.000 0.745 452 L CB -1.022 40.868 42.059 -0.281 0.000 0.894 452 L HN 0.318 nan 8.230 nan 0.000 0.432 453 K N -0.602 119.558 120.400 -0.399 0.000 2.057 453 K HA -0.184 4.136 4.320 -0.000 0.000 0.207 453 K C 1.288 177.786 176.600 -0.170 0.000 1.049 453 K CA 1.690 57.785 56.287 -0.320 0.000 0.931 453 K CB -0.023 32.288 32.500 -0.316 0.000 0.714 453 K HN 0.264 nan 8.250 nan 0.000 0.440 454 D N -0.407 119.906 120.400 -0.145 0.000 2.363 454 D HA -0.061 4.579 4.640 -0.000 0.000 0.226 454 D C 1.388 177.635 176.300 -0.090 0.000 1.020 454 D CA 1.223 55.164 54.000 -0.098 0.000 0.892 454 D CB 0.554 41.301 40.800 -0.088 0.000 0.900 454 D HN 0.528 nan 8.370 nan 0.000 0.531 455 T N -3.675 110.818 114.554 -0.102 0.000 3.272 455 T HA 0.045 4.395 4.350 -0.000 0.000 0.247 455 T C 1.823 176.474 174.700 -0.082 0.000 0.990 455 T CA 0.024 62.072 62.100 -0.085 0.000 1.213 455 T CB -0.294 68.525 68.868 -0.082 0.000 1.124 455 T HN -0.092 nan 8.240 nan 0.000 0.401 456 V N 1.852 121.710 119.914 -0.094 0.000 3.129 456 V HA 0.478 4.598 4.120 -0.000 0.000 0.259 456 V C 1.450 177.504 176.094 -0.067 0.000 1.116 456 V CA 0.633 62.887 62.300 -0.077 0.000 1.127 456 V CB -1.106 30.672 31.823 -0.074 0.000 0.742 456 V HN 1.164 nan 8.190 nan 0.000 0.474 457 G N 0.277 109.020 108.800 -0.094 0.000 2.784 457 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.686 457 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.686 457 G C 0.184 175.017 174.900 -0.111 0.000 1.156 457 G CA 0.089 45.143 45.100 -0.077 0.000 0.757 457 G HN 0.231 nan 8.290 nan 0.000 0.642 458 E N 0.250 120.396 120.200 -0.090 0.000 2.065 458 E HA -0.218 4.132 4.350 -0.000 0.000 0.201 458 E C 2.036 178.615 176.600 -0.035 0.000 1.016 458 E CA 1.984 58.336 56.400 -0.081 0.000 0.818 458 E CB -0.039 29.679 29.700 0.030 0.000 0.749 458 E HN 0.731 nan 8.360 nan 0.000 0.453 459 E N -0.451 119.759 120.200 0.018 0.000 2.333 459 E HA -0.153 4.197 4.350 -0.000 0.000 0.198 459 E C 1.337 177.963 176.600 0.043 0.000 1.007 459 E CA 0.563 56.997 56.400 0.056 0.000 0.845 459 E CB 0.151 29.893 29.700 0.070 0.000 0.766 459 E HN 0.245 nan 8.360 nan 0.000 0.507 460 E N -0.321 119.887 120.200 0.014 0.000 2.498 460 E HA 0.142 4.491 4.350 -0.000 0.000 0.203 460 E C -0.037 176.567 176.600 0.007 0.000 1.013 460 E CA -0.088 56.361 56.400 0.082 0.000 0.927 460 E CB 0.803 30.584 29.700 0.136 0.000 1.012 460 E HN 0.065 nan 8.360 nan 0.000 0.482 461 A N 1.268 123.971 122.820 -0.193 0.000 2.401 461 A HA 0.446 4.766 4.320 -0.000 0.000 0.259 461 A C 0.065 177.532 177.584 -0.196 0.000 1.103 461 A CA -0.160 51.618 52.037 -0.431 0.000 0.789 461 A CB 0.445 18.702 19.000 -1.238 0.000 1.035 461 A HN -0.044 nan 8.150 nan 0.000 0.491 462 V N 2.597 122.505 119.914 -0.011 0.000 3.000 462 V HA 0.529 4.649 4.120 -0.000 0.000 0.300 462 V C -1.003 175.251 176.094 0.266 0.000 1.251 462 V CA -0.706 61.708 62.300 0.191 0.000 0.972 462 V CB 1.391 33.275 31.823 0.103 0.000 1.065 462 V HN 0.785 nan 8.190 nan 0.000 0.431 463 L N 2.473 123.864 121.223 0.279 0.000 2.257 463 L HA 0.748 5.088 4.340 -0.000 0.000 0.257 463 L C -1.195 175.791 176.870 0.193 0.000 1.033 463 L CA -0.553 54.423 54.840 0.226 0.000 0.835 463 L CB 1.993 44.146 42.059 0.157 0.000 1.398 463 L HN 0.633 nan 8.230 nan 0.000 0.429 464 F N 1.157 121.011 119.950 -0.160 0.000 2.809 464 F HA 0.647 5.174 4.527 -0.000 0.000 0.369 464 F C 0.063 175.739 175.800 -0.206 0.000 1.225 464 F CA -0.833 56.994 58.000 -0.288 0.000 1.201 464 F CB 1.033 39.772 39.000 -0.434 0.000 1.527 464 F HN 0.397 nan 8.300 nan 0.000 0.565 465 A N 3.217 125.923 122.820 -0.190 0.000 2.301 465 A HA 0.511 4.831 4.320 -0.000 0.000 0.298 465 A C 1.287 178.873 177.584 0.004 0.000 1.185 465 A CA -0.443 51.506 52.037 -0.147 0.000 0.830 465 A CB 0.684 19.493 19.000 -0.319 0.000 1.112 465 A HN 0.815 nan 8.150 nan 0.000 0.508 466 R N 1.486 122.031 120.500 0.075 0.000 2.173 466 R HA 0.101 4.441 4.340 -0.000 0.000 0.208 466 R C 0.657 177.005 176.300 0.079 0.000 1.035 466 R CA 1.008 57.146 56.100 0.063 0.000 1.004 466 R CB 0.148 30.432 30.300 -0.027 0.000 0.917 466 R HN 0.651 nan 8.270 nan 0.000 0.462 467 S N -0.969 114.831 115.700 0.168 0.000 2.621 467 S HA 0.796 5.266 4.470 -0.000 0.000 0.302 467 S C -1.294 173.475 174.600 0.282 0.000 1.093 467 S CA -0.356 57.987 58.200 0.238 0.000 1.017 467 S CB 1.858 65.222 63.200 0.274 0.000 1.077 467 S HN 0.350 nan 8.310 nan 0.000 0.517 468 A N 1.531 124.506 122.820 0.258 0.000 2.610 468 A HA 0.839 5.159 4.320 -0.000 0.000 0.291 468 A C -0.810 176.932 177.584 0.263 0.000 1.086 468 A CA -0.572 51.642 52.037 0.295 0.000 0.677 468 A CB 1.407 20.532 19.000 0.209 0.000 1.278 468 A HN 0.849 nan 8.150 nan 0.000 0.414 469 S N -0.964 114.926 115.700 0.316 0.000 2.596 469 S HA 0.565 5.034 4.470 -0.000 0.000 0.270 469 S C -0.870 173.841 174.600 0.184 0.000 1.155 469 S CA -0.306 58.059 58.200 0.276 0.000 0.827 469 S CB 1.420 64.819 63.200 0.332 0.000 1.130 469 S HN 1.520 nan 8.310 nan 0.000 0.467 470 V N 3.068 122.949 119.914 -0.055 0.000 2.678 470 V HA 0.287 4.407 4.120 -0.000 0.000 0.304 470 V C 1.817 177.714 176.094 -0.328 0.000 1.086 470 V CA 2.166 64.249 62.300 -0.362 0.000 1.246 470 V CB -0.116 31.030 31.823 -1.129 0.000 0.861 470 V HN 1.556 nan 8.190 nan 0.000 0.491 471 G N 4.116 112.698 108.800 -0.364 0.000 2.268 471 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.240 471 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.240 471 G C 0.955 175.716 174.900 -0.232 0.000 1.010 471 G CA 0.301 45.203 45.100 -0.330 0.000 0.618 471 G HN 1.538 nan 8.290 nan 0.000 0.516 472 A N 0.915 123.710 122.820 -0.042 0.000 2.248 472 A HA 0.191 4.510 4.320 -0.000 0.000 0.210 472 A C 2.163 179.530 177.584 -0.363 0.000 1.174 472 A CA 2.050 54.055 52.037 -0.053 0.000 0.750 472 A CB -0.324 18.891 19.000 0.358 0.000 0.780 472 A HN 0.939 nan 8.150 nan 0.000 0.478 473 Q N 0.405 119.706 119.800 -0.831 0.000 2.488 473 Q HA -0.053 4.287 4.340 -0.000 0.000 0.211 473 Q C 0.905 176.518 176.000 -0.645 0.000 0.967 473 Q CA 1.185 56.412 55.803 -0.960 0.000 0.926 473 Q CB -0.376 27.524 28.738 -1.396 0.000 0.992 473 Q HN 0.645 nan 8.270 nan 0.000 0.506 474 K N 0.318 120.160 120.400 -0.930 0.000 2.486 474 K HA 0.094 4.414 4.320 -0.000 0.000 0.194 474 K C -0.159 175.663 176.600 -1.296 0.000 1.033 474 K CA 0.360 56.025 56.287 -1.036 0.000 1.004 474 K CB 0.154 31.958 32.500 -1.160 0.000 0.798 474 K HN 0.203 nan 8.250 nan 0.000 0.495 475 F N 1.310 120.821 119.950 -0.732 0.000 2.532 475 F HA 0.285 4.812 4.527 -0.000 0.000 0.313 475 F C -2.339 173.161 175.800 -0.500 0.000 1.301 475 F CA -2.778 54.561 58.000 -1.101 0.000 1.154 475 F CB 0.365 38.947 39.000 -0.696 0.000 1.335 475 F HN -0.306 nan 8.300 nan 0.000 0.542 476 P HA -0.174 nan 4.420 nan 0.000 0.270 476 P C -0.205 177.018 177.300 -0.128 0.000 1.167 476 P CA 0.715 63.778 63.100 -0.062 0.000 0.759 476 P CB 0.441 32.046 31.700 -0.158 0.000 0.777 477 V N 0.986 120.836 119.914 -0.107 0.000 3.592 477 V HA -0.201 3.918 4.120 -0.000 0.000 0.448 477 V C -0.285 175.565 176.094 -0.407 0.000 0.679 477 V CA 0.558 62.642 62.300 -0.359 0.000 1.920 477 V CB -2.192 29.241 31.823 -0.651 0.000 2.362 477 V HN 0.686 nan 8.190 nan 0.000 0.492 478 H N 2.762 121.737 119.070 -0.158 0.000 2.458 478 H HA 0.577 5.133 4.556 -0.000 0.000 0.330 478 H C -0.222 174.943 175.328 -0.272 0.000 1.111 478 H CA -0.141 55.844 56.048 -0.105 0.000 1.245 478 H CB 1.140 30.930 29.762 0.048 0.000 1.456 478 H HN 0.718 nan 8.280 nan 0.000 0.488 479 W N 3.475 124.509 121.300 -0.444 0.000 2.361 479 W HA 0.370 5.030 4.660 -0.000 0.000 0.309 479 W C 0.945 177.286 176.519 -0.296 0.000 1.122 479 W CA -0.942 56.053 57.345 -0.583 0.000 1.208 479 W CB 1.000 30.132 29.460 -0.546 0.000 1.246 479 W HN 0.775 nan 8.180 nan 0.000 0.490 480 G N 4.140 112.428 108.800 -0.854 0.000 2.916 480 G HA2 0.333 4.292 3.960 -0.000 0.000 0.205 480 G HA3 0.333 4.292 3.960 -0.000 0.000 0.205 480 G C 0.716 175.268 174.900 -0.581 0.000 1.163 480 G CA 0.435 45.335 45.100 -0.333 0.000 0.821 480 G HN 1.273 nan 8.290 nan 0.000 0.515 481 G N -0.237 107.631 108.800 -1.553 0.000 2.796 481 G HA2 -0.190 3.769 3.960 -0.000 0.000 0.226 481 G HA3 -0.190 3.769 3.960 -0.000 0.000 0.226 481 G C -0.949 173.233 174.900 -1.197 0.000 1.381 481 G CA -0.375 43.825 45.100 -1.500 0.000 0.867 481 G HN 0.214 nan 8.290 nan 0.000 0.552 482 D N 0.108 120.191 120.400 -0.528 0.000 2.280 482 D HA 0.524 5.164 4.640 -0.000 0.000 0.243 482 D C 0.682 176.854 176.300 -0.213 0.000 1.129 482 D CA 0.122 53.993 54.000 -0.216 0.000 0.848 482 D CB 0.745 41.516 40.800 -0.048 0.000 1.107 482 D HN 0.675 nan 8.370 nan 0.000 0.471 483 C N 2.276 121.498 119.300 -0.130 0.000 2.345 483 C HA 0.452 4.912 4.460 -0.000 0.000 0.370 483 C C 0.069 175.033 174.990 -0.043 0.000 1.209 483 C CA -0.890 58.118 59.018 -0.018 0.000 2.133 483 C CB 0.184 28.111 27.740 0.312 0.000 2.293 483 C HN 0.479 nan 8.230 nan 0.000 0.544 484 Y N 0.225 120.619 120.300 0.156 0.000 2.335 484 Y HA 0.462 5.012 4.550 -0.000 0.000 0.323 484 Y C 0.765 176.798 175.900 0.222 0.000 1.224 484 Y CA -0.300 57.881 58.100 0.136 0.000 1.241 484 Y CB 0.639 39.166 38.460 0.111 0.000 1.235 484 Y HN 0.768 nan 8.280 nan 0.000 0.492 485 A N 3.901 126.929 122.820 0.345 0.000 2.797 485 A HA 0.433 4.753 4.320 -0.000 0.000 0.296 485 A C -0.630 177.101 177.584 0.246 0.000 1.580 485 A CA -0.078 52.129 52.037 0.283 0.000 1.277 485 A CB -1.562 17.523 19.000 0.141 0.000 1.101 485 A HN 0.857 nan 8.150 nan 0.000 0.562 486 N N -0.746 118.144 118.700 0.317 0.000 3.322 486 N HA 0.191 4.931 4.740 -0.000 0.000 0.233 486 N C -0.082 175.507 175.510 0.132 0.000 1.399 486 N CA -0.791 52.334 53.050 0.124 0.000 0.894 486 N CB 0.214 38.784 38.487 0.139 0.000 1.440 486 N HN 0.046 nan 8.380 nan 0.000 0.503 487 Y N -0.327 120.119 120.300 0.244 0.000 2.181 487 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 487 Y C 1.587 177.565 175.900 0.131 0.000 1.146 487 Y CA 1.432 59.660 58.100 0.213 0.000 1.164 487 Y CB 0.006 38.626 38.460 0.266 0.000 0.982 487 Y HN 0.639 nan 8.280 nan 0.000 0.515 488 E N 0.293 120.642 120.200 0.247 0.000 2.085 488 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 488 E C 1.428 178.095 176.600 0.112 0.000 0.994 488 E CA 0.943 57.417 56.400 0.123 0.000 0.801 488 E CB -0.367 29.396 29.700 0.105 0.000 0.743 488 E HN 0.113 nan 8.360 nan 0.000 0.453 492 E N 0.630 120.868 120.200 0.063 0.000 2.085 492 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 492 E C 2.080 178.866 176.600 0.309 0.000 0.994 492 E CA 1.591 58.090 56.400 0.165 0.000 0.801 492 E CB -0.096 29.706 29.700 0.170 0.000 0.743 492 E HN 0.572 nan 8.360 nan 0.000 0.453 493 S N 0.611 116.507 115.700 0.328 0.000 2.359 493 S HA -0.160 4.310 4.470 -0.000 0.000 0.224 493 S C 1.945 176.780 174.600 0.391 0.000 1.035 493 S CA 0.877 59.382 58.200 0.507 0.000 1.018 493 S CB -0.260 63.314 63.200 0.623 0.000 0.876 493 S HN 0.287 nan 8.310 nan 0.000 0.448 494 L N 1.309 122.684 121.223 0.252 0.000 2.042 494 L HA -0.148 4.192 4.340 -0.000 0.000 0.210 494 L C 2.796 179.561 176.870 -0.175 0.000 1.076 494 L CA 1.704 56.563 54.840 0.031 0.000 0.749 494 L CB -0.490 41.488 42.059 -0.134 0.000 0.893 494 L HN 0.414 nan 8.230 nan 0.000 0.432 495 R N -0.604 119.845 120.500 -0.085 0.000 2.105 495 R HA -0.158 4.181 4.340 -0.000 0.000 0.239 495 R C 2.160 178.302 176.300 -0.263 0.000 1.135 495 R CA 1.314 57.335 56.100 -0.132 0.000 0.967 495 R CB -0.786 29.482 30.300 -0.053 0.000 0.861 495 R HN 0.495 nan 8.270 nan 0.000 0.442 496 G N 0.478 109.129 108.800 -0.249 0.000 2.404 496 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.215 496 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.215 496 G C 1.551 175.990 174.900 -0.768 0.000 1.174 496 G CA 0.797 45.593 45.100 -0.507 0.000 0.780 496 G HN 0.450 nan 8.290 nan 0.000 0.537 497 G N 0.836 108.857 108.800 -1.299 0.000 2.422 497 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.218 497 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.218 497 G C 1.813 176.078 174.900 -1.059 0.000 1.146 497 G CA 0.732 44.470 45.100 -2.270 0.000 0.769 497 G HN 0.418 nan 8.290 nan 0.000 0.547 498 L N 0.706 121.523 121.223 -0.678 0.000 2.046 498 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 498 L C 3.187 179.855 176.870 -0.336 0.000 1.077 498 L CA 1.203 55.803 54.840 -0.400 0.000 0.747 498 L CB -0.391 41.516 42.059 -0.254 0.000 0.896 498 L HN 0.179 nan 8.230 nan 0.000 0.432 499 S N -0.004 115.479 115.700 -0.361 0.000 2.368 499 S HA -0.166 4.303 4.470 -0.000 0.000 0.225 499 S C 1.970 176.398 174.600 -0.286 0.000 1.030 499 S CA 1.199 59.228 58.200 -0.286 0.000 0.999 499 S CB -0.242 62.767 63.200 -0.318 0.000 0.844 499 S HN 0.333 nan 8.310 nan 0.000 0.459 500 I N 1.447 121.776 120.570 -0.401 0.000 2.286 500 I HA -0.140 4.030 4.170 -0.000 0.000 0.248 500 I C 2.280 178.301 176.117 -0.160 0.000 1.115 500 I CA 1.126 62.206 61.300 -0.367 0.000 1.392 500 I CB -0.540 37.163 38.000 -0.496 0.000 1.065 500 I HN 0.386 nan 8.210 nan 0.000 0.418 501 G N 0.794 109.473 108.800 -0.203 0.000 2.408 501 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.217 501 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.217 501 G C 1.414 176.260 174.900 -0.090 0.000 1.150 501 G CA 0.173 45.199 45.100 -0.123 0.000 0.776 501 G HN 0.265 nan 8.290 nan 0.000 0.542 502 L N 1.283 122.440 121.223 -0.109 0.000 2.465 502 L HA 0.134 4.473 4.340 -0.000 0.000 0.224 502 L C 1.999 178.887 176.870 0.031 0.000 1.145 502 L CA 1.048 55.849 54.840 -0.063 0.000 0.834 502 L CB -0.418 41.595 42.059 -0.077 0.000 0.944 502 L HN 0.131 nan 8.230 nan 0.000 0.451 503 S N -0.941 114.773 115.700 0.024 0.000 2.572 503 S HA 0.402 4.872 4.470 -0.000 0.000 0.228 503 S C 1.387 176.005 174.600 0.030 0.000 0.963 503 S CA 0.478 58.726 58.200 0.080 0.000 0.939 503 S CB 0.634 63.878 63.200 0.073 0.000 0.804 503 S HN 0.537 nan 8.310 nan 0.000 0.480 504 G N 1.197 109.995 108.800 -0.004 0.000 2.159 504 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.227 504 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.227 504 G C -0.130 174.671 174.900 -0.166 0.000 0.986 504 G CA -0.653 44.408 45.100 -0.065 0.000 0.651 504 G HN 0.464 nan 8.290 nan 0.000 0.523 505 F N 0.700 120.546 119.950 -0.173 0.000 2.410 505 F HA 0.554 5.081 4.527 -0.000 0.000 0.349 505 F C 1.590 177.286 175.800 -0.174 0.000 1.117 505 F CA 0.023 57.920 58.000 -0.172 0.000 1.104 505 F CB 1.957 40.829 39.000 -0.213 0.000 1.122 505 F HN -0.001 nan 8.300 nan 0.000 0.483 506 G N 2.860 111.606 108.800 -0.090 0.000 2.683 506 G HA2 0.084 4.043 3.960 -0.000 0.000 0.213 506 G HA3 0.084 4.043 3.960 -0.000 0.000 0.213 506 G C -0.206 174.236 174.900 -0.762 0.000 1.142 506 G CA 0.340 45.176 45.100 -0.440 0.000 0.793 506 G HN 0.379 nan 8.290 nan 0.000 0.534 507 F N -2.256 117.771 119.950 0.129 0.000 2.576 507 F HA 0.674 5.200 4.527 -0.000 0.000 0.313 507 F C -1.014 174.911 175.800 0.208 0.000 1.078 507 F CA -1.571 56.512 58.000 0.137 0.000 0.921 507 F CB 1.994 41.000 39.000 0.011 0.000 1.232 507 F HN 0.008 nan 8.300 nan 0.000 0.459 508 W N 2.127 123.490 121.300 0.105 0.000 3.439 508 W HA 0.631 5.291 4.660 -0.000 0.000 0.323 508 W C -1.461 175.047 176.519 -0.018 0.000 1.174 508 W CA -0.868 56.469 57.345 -0.014 0.000 1.224 508 W CB 1.885 31.307 29.460 -0.063 0.000 1.348 508 W HN 0.618 nan 8.180 nan 0.000 0.498 509 S N 3.208 118.469 115.700 -0.731 0.000 2.638 509 S HA 0.928 5.398 4.470 -0.000 0.000 0.302 509 S C -0.998 173.037 174.600 -0.942 0.000 1.096 509 S CA -0.660 57.142 58.200 -0.663 0.000 0.953 509 S CB 2.317 65.050 63.200 -0.778 0.000 1.107 509 S HN 0.804 nan 8.310 nan 0.000 0.503 510 H N -1.979 116.635 119.070 -0.760 0.000 3.003 510 H HA 0.657 5.213 4.556 -0.000 0.000 0.327 510 H C -2.081 173.140 175.328 -0.178 0.000 1.353 510 H CA -1.101 54.558 56.048 -0.648 0.000 1.142 510 H CB 0.470 29.745 29.762 -0.812 0.000 1.864 510 H HN 0.433 nan 8.280 nan 0.000 0.529 511 D N 1.080 121.439 120.400 -0.069 0.000 2.210 511 D HA 0.222 4.862 4.640 -0.000 0.000 0.249 511 D C 0.666 176.731 176.300 -0.392 0.000 1.062 511 D CA -0.357 53.598 54.000 -0.074 0.000 0.891 511 D CB 1.168 42.094 40.800 0.210 0.000 1.186 511 D HN 0.316 nan 8.370 nan 0.000 0.432 520 P HA 0.284 nan 4.420 nan 0.000 0.264 520 P C 1.345 178.482 177.300 -0.272 0.000 1.179 520 P CA 0.698 63.643 63.100 -0.257 0.000 0.763 520 P CB 0.834 32.197 31.700 -0.561 0.000 0.806 521 A N 2.629 125.353 122.820 -0.159 0.000 1.972 521 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 521 A C 1.860 179.400 177.584 -0.075 0.000 1.169 521 A CA 1.916 53.897 52.037 -0.094 0.000 0.635 521 A CB -1.409 17.549 19.000 -0.069 0.000 0.810 521 A HN 0.864 nan 8.150 nan 0.000 0.446 522 H N -1.722 117.368 119.070 0.033 0.000 2.421 522 H HA 0.019 4.575 4.556 -0.000 0.000 0.298 522 H C 1.546 177.036 175.328 0.270 0.000 1.087 522 H CA 1.349 57.451 56.048 0.090 0.000 1.330 522 H CB -0.846 29.142 29.762 0.378 0.000 1.388 522 H HN 0.111 nan 8.280 nan 0.000 0.526 523 V N 0.621 120.469 119.914 -0.110 0.000 2.307 523 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 523 V C 2.316 178.579 176.094 0.281 0.000 1.045 523 V CA 2.035 64.316 62.300 -0.032 0.000 1.024 523 V CB -0.873 30.778 31.823 -0.288 0.000 0.651 523 V HN 0.492 nan 8.190 nan 0.000 0.449 524 Y N 1.173 121.523 120.300 0.084 0.000 2.165 524 Y HA -0.262 4.288 4.550 -0.000 0.000 0.286 524 Y C 2.514 178.520 175.900 0.177 0.000 1.155 524 Y CA 1.956 60.132 58.100 0.126 0.000 1.164 524 Y CB -0.164 38.303 38.460 0.012 0.000 0.978 524 Y HN 0.155 nan 8.280 nan 0.000 0.513 525 K N -0.353 120.194 120.400 0.244 0.000 2.026 525 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 525 K C 2.132 178.870 176.600 0.231 0.000 1.048 525 K CA 1.359 57.738 56.287 0.152 0.000 0.929 525 K CB -0.174 32.260 32.500 -0.111 0.000 0.713 525 K HN 0.181 nan 8.250 nan 0.000 0.439 526 R N 0.470 121.189 120.500 0.366 0.000 2.091 526 R HA -0.162 4.178 4.340 -0.000 0.000 0.238 526 R C 1.935 178.381 176.300 0.244 0.000 1.136 526 R CA 1.022 57.319 56.100 0.328 0.000 0.959 526 R CB -0.759 29.794 30.300 0.422 0.000 0.856 526 R HN 0.481 nan 8.270 nan 0.000 0.437 527 W N 0.956 122.323 121.300 0.113 0.000 2.374 527 W HA -0.171 4.489 4.660 -0.000 0.000 0.288 527 W C 2.064 178.578 176.519 -0.008 0.000 1.218 527 W CA 0.363 57.786 57.345 0.130 0.000 1.245 527 W CB -0.581 28.930 29.460 0.084 0.000 1.126 527 W HN 0.075 nan 8.180 nan 0.000 0.545 528 C N 0.133 119.491 119.300 0.096 0.000 2.413 528 C HA -0.173 4.287 4.460 -0.000 0.000 0.276 528 C C 3.078 178.026 174.990 -0.069 0.000 1.236 528 C CA 1.784 60.778 59.018 -0.040 0.000 1.735 528 C CB -1.557 26.148 27.740 -0.057 0.000 2.031 528 C HN 0.369 nan 8.230 nan 0.000 0.474 529 A N 0.141 122.789 122.820 -0.286 0.000 1.883 529 A HA -0.211 4.108 4.320 -0.000 0.000 0.217 529 A C 1.962 179.485 177.584 -0.102 0.000 1.186 529 A CA 1.953 53.537 52.037 -0.756 0.000 0.624 529 A CB -0.849 17.572 19.000 -0.966 0.000 0.822 529 A HN 0.559 nan 8.150 nan 0.000 0.444 530 F N 1.330 121.257 119.950 -0.038 0.000 2.146 530 F HA 0.037 4.564 4.527 -0.000 0.000 0.298 530 F C 2.212 178.207 175.800 0.325 0.000 1.096 530 F CA 1.239 59.342 58.000 0.172 0.000 1.275 530 F CB -1.016 38.063 39.000 0.133 0.000 1.008 530 F HN 0.159 nan 8.300 nan 0.000 0.480 531 G N 1.309 110.116 108.800 0.012 0.000 2.421 531 G HA2 -0.195 3.764 3.960 -0.000 0.000 0.216 531 G HA3 -0.195 3.764 3.960 -0.000 0.000 0.216 531 G C 1.639 176.501 174.900 -0.062 0.000 1.171 531 G CA 0.869 45.820 45.100 -0.248 0.000 0.775 531 G HN 0.358 nan 8.290 nan 0.000 0.543 532 L N 0.116 121.376 121.223 0.062 0.000 2.291 532 L HA 0.209 4.549 4.340 -0.000 0.000 0.214 532 L C 2.114 179.118 176.870 0.224 0.000 1.120 532 L CA 0.831 55.767 54.840 0.159 0.000 0.799 532 L CB -0.687 41.521 42.059 0.248 0.000 0.925 532 L HN 0.227 nan 8.230 nan 0.000 0.446 533 L N -0.665 120.716 121.223 0.263 0.000 2.805 533 L HA 0.115 4.455 4.340 -0.000 0.000 0.237 533 L C 0.347 177.471 176.870 0.424 0.000 1.252 533 L CA -0.131 54.920 54.840 0.352 0.000 1.064 533 L CB -0.152 42.133 42.059 0.378 0.000 1.361 533 L HN 0.083 nan 8.230 nan 0.000 0.474 534 S N -1.739 114.150 115.700 0.315 0.000 2.715 534 S HA 0.248 4.718 4.470 -0.000 0.000 0.307 534 S C 1.086 175.834 174.600 0.248 0.000 1.119 534 S CA -0.233 58.151 58.200 0.305 0.000 0.937 534 S CB 1.947 65.335 63.200 0.313 0.000 1.150 534 S HN 0.328 nan 8.310 nan 0.000 0.521 535 S N 0.383 116.238 115.700 0.259 0.000 2.368 535 S HA -0.060 4.410 4.470 -0.000 0.000 0.224 535 S C 0.075 174.565 174.600 -0.183 0.000 1.029 535 S CA 1.109 59.440 58.200 0.218 0.000 0.988 535 S CB -0.479 62.989 63.200 0.447 0.000 0.838 535 S HN 0.741 nan 8.310 nan 0.000 0.462 536 H N 0.435 119.476 119.070 -0.048 0.000 2.667 536 H HA 0.691 5.247 4.556 -0.000 0.000 0.353 536 H C -1.068 174.175 175.328 -0.142 0.000 1.072 536 H CA -0.506 55.447 56.048 -0.157 0.000 1.214 536 H CB 2.027 31.594 29.762 -0.325 0.000 1.600 536 H HN 0.183 nan 8.280 nan 0.000 0.527 537 S N 2.946 118.645 115.700 -0.001 0.000 2.482 537 S HA 0.603 5.072 4.470 -0.000 0.000 0.303 537 S C -0.421 174.192 174.600 0.021 0.000 1.091 537 S CA -1.035 57.133 58.200 -0.052 0.000 1.057 537 S CB 2.021 65.231 63.200 0.017 0.000 1.031 537 S HN 0.563 nan 8.310 nan 0.000 0.485 538 R N 2.089 122.554 120.500 -0.058 0.000 2.532 538 R HA 0.612 4.952 4.340 -0.000 0.000 0.297 538 R C -1.767 174.493 176.300 -0.068 0.000 0.984 538 R CA -0.621 55.478 56.100 -0.001 0.000 0.884 538 R CB 1.133 31.437 30.300 0.007 0.000 1.182 538 R HN 0.753 nan 8.270 nan 0.000 0.442 539 L N 3.621 124.829 121.223 -0.025 0.000 2.346 539 L HA 0.539 4.879 4.340 -0.000 0.000 0.274 539 L C -0.654 176.199 176.870 -0.027 0.000 1.007 539 L CA -0.743 54.099 54.840 0.003 0.000 0.818 539 L CB 1.558 43.679 42.059 0.104 0.000 1.284 539 L HN 0.718 nan 8.230 nan 0.000 0.424 553 D N -0.609 119.799 120.400 0.013 0.000 2.234 553 D HA -0.072 4.568 4.640 -0.000 0.000 0.205 553 D C 1.261 177.592 176.300 0.052 0.000 0.962 553 D CA 0.743 54.759 54.000 0.028 0.000 0.855 553 D CB 0.276 41.093 40.800 0.028 0.000 0.951 553 D HN 0.563 nan 8.370 nan 0.000 0.500 554 E N 0.687 120.920 120.200 0.054 0.000 2.274 554 E HA -0.088 4.262 4.350 -0.000 0.000 0.194 554 E C 1.636 178.289 176.600 0.089 0.000 0.996 554 E CA 0.450 56.897 56.400 0.078 0.000 0.840 554 E CB 0.265 30.013 29.700 0.080 0.000 0.772 554 E HN -0.052 nan 8.360 nan 0.000 0.491 555 S N -0.179 115.567 115.700 0.076 0.000 2.399 555 S HA -0.154 4.315 4.470 -0.000 0.000 0.231 555 S C 1.943 176.665 174.600 0.203 0.000 1.022 555 S CA 1.074 59.365 58.200 0.152 0.000 0.983 555 S CB -0.186 63.074 63.200 0.101 0.000 0.803 555 S HN 0.484 nan 8.310 nan 0.000 0.480 556 C N 1.854 121.239 119.300 0.140 0.000 2.450 556 C HA 0.012 4.472 4.460 -0.000 0.000 0.279 556 C C 2.334 177.416 174.990 0.154 0.000 1.335 556 C CA -0.110 58.992 59.018 0.139 0.000 1.749 556 C CB -1.108 26.683 27.740 0.085 0.000 1.963 556 C HN 0.546 nan 8.230 nan 0.000 0.501 557 D N 1.245 121.733 120.400 0.147 0.000 2.117 557 D HA -0.103 4.537 4.640 -0.000 0.000 0.197 557 D C 2.206 178.639 176.300 0.222 0.000 0.987 557 D CA 1.179 55.274 54.000 0.158 0.000 0.829 557 D CB -0.465 40.413 40.800 0.130 0.000 0.961 557 D HN 0.307 nan 8.370 nan 0.000 0.460 558 V N 1.195 121.261 119.914 0.253 0.000 2.255 558 V HA -0.229 3.890 4.120 -0.000 0.000 0.247 558 V C 2.783 179.151 176.094 0.456 0.000 1.051 558 V CA 1.212 63.742 62.300 0.384 0.000 1.018 558 V CB -0.698 31.335 31.823 0.350 0.000 0.641 558 V HN 0.037 nan 8.190 nan 0.000 0.445 559 V N 0.031 120.140 119.914 0.325 0.000 2.255 559 V HA -0.324 3.796 4.120 -0.000 0.000 0.247 559 V C 2.565 178.822 176.094 0.271 0.000 1.051 559 V CA 2.609 65.081 62.300 0.286 0.000 1.018 559 V CB -0.838 31.124 31.823 0.232 0.000 0.641 559 V HN 0.491 nan 8.190 nan 0.000 0.445 560 R N -0.712 119.920 120.500 0.219 0.000 2.083 560 R HA -0.218 4.122 4.340 -0.000 0.000 0.237 560 R C 2.265 178.646 176.300 0.134 0.000 1.137 560 R CA 2.225 58.419 56.100 0.156 0.000 0.951 560 R CB -0.486 29.889 30.300 0.125 0.000 0.851 560 R HN 0.462 nan 8.270 nan 0.000 0.434 561 F N 0.168 120.104 119.950 -0.022 0.000 2.069 561 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 561 F C 1.586 177.188 175.800 -0.330 0.000 1.113 561 F CA 1.755 59.620 58.000 -0.227 0.000 1.214 561 F CB -0.327 38.471 39.000 -0.336 0.000 0.978 561 F HN -0.006 nan 8.300 nan 0.000 0.474 562 F N -0.391 119.724 119.950 0.276 0.000 2.456 562 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 562 F C 2.392 178.241 175.800 0.082 0.000 1.104 562 F CA 1.350 59.446 58.000 0.160 0.000 1.435 562 F CB -0.972 38.174 39.000 0.244 0.000 1.078 562 F HN -0.143 nan 8.300 nan 0.000 0.546 563 T N -0.668 114.025 114.554 0.231 0.000 2.857 563 T HA -0.161 4.189 4.350 -0.000 0.000 0.266 563 T C 1.890 176.656 174.700 0.111 0.000 1.048 563 T CA 1.140 63.360 62.100 0.200 0.000 1.139 563 T CB -0.196 68.801 68.868 0.215 0.000 0.874 563 T HN 0.315 nan 8.240 nan 0.000 0.455 564 Q N 0.291 120.089 119.800 -0.004 0.000 2.079 564 Q HA -0.021 4.319 4.340 -0.000 0.000 0.200 564 Q C 2.337 178.260 176.000 -0.128 0.000 0.974 564 Q CA 0.975 56.727 55.803 -0.085 0.000 0.840 564 Q CB -0.356 28.264 28.738 -0.196 0.000 0.898 564 Q HN 0.318 nan 8.270 nan 0.000 0.430 565 L N 1.471 122.553 121.223 -0.235 0.000 2.017 565 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 565 L C 2.262 179.130 176.870 -0.004 0.000 1.073 565 L CA 1.892 56.603 54.840 -0.214 0.000 0.745 565 L CB -0.392 41.476 42.059 -0.319 0.000 0.894 565 L HN 0.032 nan 8.230 nan 0.000 0.432 566 K N -1.192 119.262 120.400 0.090 0.000 2.032 566 K HA -0.209 4.110 4.320 -0.000 0.000 0.209 566 K C 2.128 178.812 176.600 0.140 0.000 1.048 566 K CA 1.977 58.355 56.287 0.151 0.000 0.927 566 K CB -0.380 32.235 32.500 0.192 0.000 0.712 566 K HN 0.531 nan 8.250 nan 0.000 0.441 567 C N 1.047 120.431 119.300 0.140 0.000 2.425 567 C HA -0.021 4.439 4.460 -0.000 0.000 0.277 567 C C 1.558 176.691 174.990 0.240 0.000 1.280 567 C CA 0.100 59.240 59.018 0.203 0.000 1.744 567 C CB -0.913 26.939 27.740 0.185 0.000 1.989 567 C HN 0.431 nan 8.230 nan 0.000 0.491 572 Y N 0.920 121.065 120.300 -0.258 0.000 2.177 572 Y HA 0.037 4.587 4.550 -0.000 0.000 0.291 572 Y C 1.811 177.622 175.900 -0.149 0.000 1.117 572 Y CA 1.060 59.078 58.100 -0.135 0.000 1.114 572 Y CB -0.675 37.751 38.460 -0.057 0.000 1.017 572 Y HN -0.216 nan 8.280 nan 0.000 0.505 573 L N 0.001 121.019 121.223 -0.342 0.000 1.990 573 L HA -0.279 4.061 4.340 -0.000 0.000 0.213 573 L C 2.374 179.008 176.870 -0.394 0.000 1.072 573 L CA 2.033 56.658 54.840 -0.359 0.000 0.755 573 L CB -1.882 40.123 42.059 -0.089 0.000 0.889 573 L HN 0.427 nan 8.230 nan 0.000 0.432 574 Y N -0.144 119.763 120.300 -0.656 0.000 2.315 574 Y HA -0.317 4.233 4.550 -0.000 0.000 0.288 574 Y C 2.795 178.449 175.900 -0.410 0.000 1.154 574 Y CA 1.557 59.246 58.100 -0.686 0.000 1.229 574 Y CB 0.022 37.879 38.460 -1.007 0.000 0.980 574 Y HN 0.126 nan 8.280 nan 0.000 0.540 575 R N 0.773 121.073 120.500 -0.333 0.000 2.075 575 R HA -0.121 4.219 4.340 -0.000 0.000 0.232 575 R C 1.904 178.050 176.300 -0.257 0.000 1.126 575 R CA 1.923 57.884 56.100 -0.231 0.000 0.963 575 R CB -0.453 29.753 30.300 -0.156 0.000 0.858 575 R HN 0.202 nan 8.270 nan 0.000 0.435 576 E N 0.449 120.444 120.200 -0.341 0.000 2.110 576 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 576 E C 1.884 178.366 176.600 -0.197 0.000 0.988 576 E CA 1.340 57.569 56.400 -0.284 0.000 0.804 576 E CB -0.409 29.058 29.700 -0.389 0.000 0.745 576 E HN 0.471 nan 8.360 nan 0.000 0.458 577 A N 1.513 124.217 122.820 -0.194 0.000 1.978 577 A HA -0.108 4.212 4.320 -0.000 0.000 0.220 577 A C 2.412 179.967 177.584 -0.047 0.000 1.170 577 A CA 1.937 53.975 52.037 0.002 0.000 0.636 577 A CB -0.478 18.481 19.000 -0.068 0.000 0.810 577 A HN 0.267 nan 8.150 nan 0.000 0.448 578 A N -0.259 122.432 122.820 -0.215 0.000 1.969 578 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 578 A C 2.207 179.745 177.584 -0.076 0.000 1.169 578 A CA 1.275 53.228 52.037 -0.141 0.000 0.635 578 A CB -0.440 18.475 19.000 -0.141 0.000 0.810 578 A HN 0.546 nan 8.150 nan 0.000 0.445 579 R N -0.439 120.002 120.500 -0.099 0.000 2.096 579 R HA -0.123 4.217 4.340 -0.000 0.000 0.235 579 R C 2.439 178.684 176.300 -0.092 0.000 1.127 579 R CA 1.202 57.248 56.100 -0.090 0.000 0.968 579 R CB -0.510 29.727 30.300 -0.105 0.000 0.861 579 R HN 0.521 nan 8.270 nan 0.000 0.440 580 A N 1.658 124.408 122.820 -0.116 0.000 1.933 580 A HA -0.213 4.106 4.320 -0.000 0.000 0.218 580 A C 1.993 179.540 177.584 -0.062 0.000 1.175 580 A CA 1.571 53.513 52.037 -0.157 0.000 0.628 580 A CB -0.690 18.078 19.000 -0.387 0.000 0.814 580 A HN 0.395 nan 8.150 nan 0.000 0.444 581 N N 0.053 118.765 118.700 0.020 0.000 2.216 581 N HA -0.059 4.681 4.740 -0.000 0.000 0.183 581 N C 1.809 177.307 175.510 -0.019 0.000 1.017 581 N CA 1.292 54.359 53.050 0.029 0.000 0.861 581 N CB -0.133 38.392 38.487 0.063 0.000 0.986 581 N HN 0.370 nan 8.380 nan 0.000 0.428 582 A N 0.335 123.137 122.820 -0.030 0.000 1.943 582 A HA 0.144 4.464 4.320 -0.000 0.000 0.213 582 A C 1.930 179.484 177.584 -0.050 0.000 1.181 582 A CA 0.742 52.758 52.037 -0.036 0.000 0.653 582 A CB 0.073 19.054 19.000 -0.032 0.000 0.833 582 A HN 0.146 nan 8.150 nan 0.000 0.451 583 R N -2.003 118.460 120.500 -0.061 0.000 2.476 583 R HA 0.287 4.627 4.340 -0.000 0.000 0.276 583 R C 1.040 177.293 176.300 -0.080 0.000 0.941 583 R CA 0.499 56.559 56.100 -0.066 0.000 1.088 583 R CB 0.270 30.532 30.300 -0.063 0.000 1.216 583 R HN 0.715 nan 8.270 nan 0.000 0.533 584 G N 0.340 109.082 108.800 -0.097 0.000 2.168 584 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.263 584 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.263 584 G C 0.002 174.827 174.900 -0.125 0.000 0.977 584 G CA 0.790 45.820 45.100 -0.117 0.000 0.659 584 G HN 0.280 nan 8.290 nan 0.000 0.533 585 T N 3.901 118.381 114.554 -0.124 0.000 2.738 585 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 585 T C -1.147 173.446 174.700 -0.178 0.000 0.913 585 T CA -0.225 61.798 62.100 -0.129 0.000 1.103 585 T CB 1.912 70.714 68.868 -0.111 0.000 0.880 585 T HN 0.367 nan 8.240 nan 0.000 0.526 595 F N 1.518 121.479 119.950 0.017 0.000 2.584 595 F HA 0.360 4.886 4.527 -0.000 0.000 0.328 595 F C -1.908 173.892 175.800 0.001 0.000 1.407 595 F CA -1.529 56.492 58.000 0.036 0.000 1.145 595 F CB 1.290 40.342 39.000 0.086 0.000 1.440 595 F HN -0.135 nan 8.300 nan 0.000 0.580 596 P HA -0.129 nan 4.420 nan 0.000 0.221 596 P C 0.726 178.057 177.300 0.051 0.000 1.145 596 P CA 1.379 64.493 63.100 0.023 0.000 0.795 596 P CB 0.306 31.996 31.700 -0.016 0.000 0.775 597 D N -1.565 118.888 120.400 0.088 0.000 2.349 597 D HA 0.002 4.641 4.640 -0.000 0.000 0.214 597 D C 0.075 176.431 176.300 0.093 0.000 1.063 597 D CA 0.461 54.510 54.000 0.082 0.000 0.847 597 D CB -0.061 40.789 40.800 0.083 0.000 0.933 597 D HN 0.157 nan 8.370 nan 0.000 0.513 598 D N 0.767 121.236 120.400 0.115 0.000 2.412 598 D HA 0.139 4.779 4.640 -0.000 0.000 0.224 598 D C -1.679 174.632 176.300 0.020 0.000 1.093 598 D CA -2.277 51.774 54.000 0.086 0.000 0.850 598 D CB 2.049 42.924 40.800 0.125 0.000 1.046 598 D HN -0.169 nan 8.370 nan 0.000 0.507 599 P HA -0.134 nan 4.420 nan 0.000 0.217 599 P C 0.908 178.184 177.300 -0.040 0.000 1.148 599 P CA 1.067 64.168 63.100 0.003 0.000 0.828 599 P CB 0.243 31.954 31.700 0.018 0.000 0.783 600 A N -1.669 121.064 122.820 -0.145 0.000 2.172 600 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 600 A C 1.879 179.213 177.584 -0.416 0.000 1.154 600 A CA 1.146 52.966 52.037 -0.362 0.000 0.701 600 A CB -1.432 17.079 19.000 -0.815 0.000 0.789 600 A HN 0.267 nan 8.150 nan 0.000 0.465 601 C N -0.580 118.585 119.300 -0.226 0.000 2.906 601 C HA 0.124 4.584 4.460 -0.000 0.000 0.274 601 C C 1.623 176.586 174.990 -0.045 0.000 1.257 601 C CA -0.201 58.740 59.018 -0.129 0.000 1.695 601 C CB -0.715 27.011 27.740 -0.024 0.000 1.958 601 C HN 0.552 nan 8.230 nan 0.000 0.619 602 D N 1.124 121.499 120.400 -0.042 0.000 2.123 602 D HA -0.137 4.503 4.640 -0.000 0.000 0.196 602 D C 1.022 177.172 176.300 -0.250 0.000 0.992 602 D CA 1.709 55.626 54.000 -0.138 0.000 0.833 602 D CB -0.153 40.492 40.800 -0.259 0.000 0.954 602 D HN 0.592 nan 8.370 nan 0.000 0.455 603 Y N -0.298 120.043 120.300 0.069 0.000 2.531 603 Y HA 0.296 4.846 4.550 -0.000 0.000 0.249 603 Y C 0.420 176.362 175.900 0.071 0.000 1.168 603 Y CA -0.434 57.706 58.100 0.066 0.000 1.226 603 Y CB 0.168 38.643 38.460 0.025 0.000 1.177 603 Y HN -0.214 nan 8.280 nan 0.000 0.527 604 L N 3.170 124.487 121.223 0.157 0.000 2.562 604 L HA 0.018 4.358 4.340 -0.000 0.000 0.271 604 L C 0.333 177.258 176.870 0.092 0.000 1.167 604 L CA 0.467 55.377 54.840 0.117 0.000 0.917 604 L CB 0.354 42.427 42.059 0.023 0.000 1.187 604 L HN 0.355 nan 8.230 nan 0.000 0.482 605 D N 1.726 122.180 120.400 0.090 0.000 2.539 605 D HA 0.013 4.653 4.640 -0.000 0.000 0.232 605 D C 1.116 177.426 176.300 0.016 0.000 1.256 605 D CA -0.221 53.804 54.000 0.041 0.000 0.810 605 D CB 0.347 41.161 40.800 0.024 0.000 1.090 605 D HN 0.412 nan 8.370 nan 0.000 0.519 606 R N 0.366 120.898 120.500 0.053 0.000 2.437 606 R HA 0.202 4.541 4.340 -0.000 0.000 0.257 606 R C 0.434 176.843 176.300 0.182 0.000 0.927 606 R CA 0.078 56.213 56.100 0.059 0.000 1.078 606 R CB 0.808 31.112 30.300 0.007 0.000 1.161 606 R HN 0.385 nan 8.270 nan 0.000 0.529 607 Q N -0.248 119.642 119.800 0.149 0.000 2.615 607 Q HA 0.472 4.811 4.340 -0.000 0.000 0.298 607 Q C -1.310 174.819 176.000 0.215 0.000 1.023 607 Q CA -1.128 54.740 55.803 0.107 0.000 0.768 607 Q CB 1.743 30.472 28.738 -0.015 0.000 1.500 607 Q HN 0.023 nan 8.270 nan 0.000 0.441 611 G N 3.189 112.092 108.800 0.171 0.000 2.681 611 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 611 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 611 G C 0.199 175.185 174.900 0.142 0.000 1.353 611 G CA 0.124 45.270 45.100 0.077 0.000 0.872 611 G HN 0.558 nan 8.290 nan 0.000 0.557 612 D N 0.325 120.799 120.400 0.122 0.000 2.123 612 D HA -0.027 4.613 4.640 -0.000 0.000 0.196 612 D C 1.952 178.335 176.300 0.139 0.000 0.992 612 D CA 1.972 56.033 54.000 0.100 0.000 0.833 612 D CB -0.118 40.726 40.800 0.073 0.000 0.954 612 D HN 0.499 nan 8.370 nan 0.000 0.455 613 N N -1.107 117.719 118.700 0.211 0.000 2.238 613 N HA 0.194 4.933 4.740 -0.000 0.000 0.235 613 N C -0.751 174.814 175.510 0.092 0.000 1.209 613 N CA -0.119 52.985 53.050 0.091 0.000 0.879 613 N CB 1.665 40.116 38.487 -0.061 0.000 1.136 613 N HN -0.096 nan 8.380 nan 0.000 0.517 617 A N 5.697 128.291 122.820 -0.378 0.000 2.483 617 A HA 0.896 5.216 4.320 -0.000 0.000 0.308 617 A C -2.863 174.599 177.584 -0.204 0.000 1.291 617 A CA -1.646 50.245 52.037 -0.244 0.000 0.774 617 A CB 0.989 19.820 19.000 -0.281 0.000 1.134 617 A HN 0.547 nan 8.150 nan 0.000 0.471 618 P HA 0.158 nan 4.420 nan 0.000 0.266 618 P C 0.212 177.193 177.300 -0.532 0.000 1.195 618 P CA 0.098 62.962 63.100 -0.393 0.000 0.768 618 P CB 0.840 32.134 31.700 -0.677 0.000 0.838 619 V N 1.642 121.290 119.914 -0.444 0.000 2.439 619 V HA 0.406 4.526 4.120 -0.000 0.000 0.282 619 V C -0.358 175.442 176.094 -0.490 0.000 1.039 619 V CA -0.142 61.975 62.300 -0.305 0.000 0.913 619 V CB 0.169 31.913 31.823 -0.132 0.000 0.983 619 V HN 0.309 nan 8.190 nan 0.000 0.460 620 F N 3.858 123.700 119.950 -0.179 0.000 2.925 620 F HA 0.441 4.968 4.527 -0.000 0.000 0.302 620 F C 1.022 176.268 175.800 -0.923 0.000 1.189 620 F CA 0.081 57.835 58.000 -0.409 0.000 1.346 620 F CB 0.215 39.085 39.000 -0.216 0.000 0.954 620 F HN 0.841 nan 8.300 nan 0.000 0.506 621 T N -4.892 109.302 114.554 -0.600 0.000 2.883 621 T HA 0.270 4.620 4.350 -0.000 0.000 0.301 621 T C 0.622 175.231 174.700 -0.152 0.000 1.158 621 T CA -0.744 61.064 62.100 -0.487 0.000 1.007 621 T CB 2.366 71.129 68.868 -0.175 0.000 1.186 621 T HN 0.186 nan 8.240 nan 0.000 0.499 622 E N 0.964 121.156 120.200 -0.013 0.000 2.046 622 E HA -0.043 4.306 4.350 -0.000 0.000 0.190 622 E C 2.279 178.882 176.600 0.006 0.000 0.982 622 E CA 1.168 57.609 56.400 0.068 0.000 0.800 622 E CB -0.468 29.075 29.700 -0.263 0.000 0.756 622 E HN 0.789 nan 8.360 nan 0.000 0.449 623 A N 0.077 122.874 122.820 -0.038 0.000 2.024 623 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 623 A C 1.965 179.500 177.584 -0.082 0.000 1.164 623 A CA 1.783 53.790 52.037 -0.051 0.000 0.643 623 A CB -0.710 18.273 19.000 -0.028 0.000 0.806 623 A HN 0.618 nan 8.150 nan 0.000 0.451 624 G N -1.115 107.643 108.800 -0.069 0.000 2.179 624 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.220 624 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.220 624 G C -0.414 174.506 174.900 0.034 0.000 0.990 624 G CA 0.119 45.194 45.100 -0.042 0.000 0.646 624 G HN 0.562 nan 8.290 nan 0.000 0.517 625 D N -0.156 120.258 120.400 0.023 0.000 2.443 625 D HA 0.488 5.128 4.640 -0.000 0.000 0.239 625 D C 0.220 176.575 176.300 0.092 0.000 1.136 625 D CA 0.753 54.791 54.000 0.063 0.000 0.879 625 D CB 2.285 43.106 40.800 0.035 0.000 1.195 625 D HN 0.647 nan 8.370 nan 0.000 0.443 626 V N 1.471 121.481 119.914 0.160 0.000 3.000 626 V HA 0.292 4.412 4.120 -0.000 0.000 0.300 626 V C -1.852 174.430 176.094 0.312 0.000 1.251 626 V CA -0.532 61.895 62.300 0.210 0.000 0.972 626 V CB 1.963 33.879 31.823 0.155 0.000 1.065 626 V HN 0.539 nan 8.190 nan 0.000 0.431 627 Q N 5.150 125.162 119.800 0.353 0.000 2.375 627 Q HA 0.780 5.120 4.340 -0.000 0.000 0.271 627 Q C -1.607 174.749 176.000 0.594 0.000 1.074 627 Q CA -0.524 55.517 55.803 0.397 0.000 0.808 627 Q CB 2.849 31.754 28.738 0.278 0.000 1.327 627 Q HN 0.746 nan 8.270 nan 0.000 0.441 628 F N -1.131 118.994 119.950 0.290 0.000 2.678 628 F HA 0.551 5.078 4.527 -0.000 0.000 0.308 628 F C -1.909 173.578 175.800 -0.522 0.000 1.118 628 F CA -1.362 56.556 58.000 -0.136 0.000 0.959 628 F CB 0.857 39.759 39.000 -0.164 0.000 1.305 628 F HN 0.489 nan 8.300 nan 0.000 0.443 629 Y N 2.710 122.319 120.300 -1.153 0.000 2.361 629 Y HA 0.798 5.347 4.550 -0.000 0.000 0.332 629 Y C -1.531 173.945 175.900 -0.708 0.000 1.101 629 Y CA -1.240 56.101 58.100 -1.265 0.000 1.137 629 Y CB 1.482 38.928 38.460 -1.689 0.000 1.207 629 Y HN 0.757 nan 8.280 nan 0.000 0.463 630 L N 8.351 128.652 121.223 -1.538 0.000 2.381 630 L HA 0.489 4.829 4.340 -0.000 0.000 0.274 630 L C -2.434 173.607 176.870 -1.382 0.000 0.988 630 L CA -2.172 51.867 54.840 -1.335 0.000 0.824 630 L CB 2.123 43.502 42.059 -1.133 0.000 1.263 630 L HN 0.545 nan 8.230 nan 0.000 0.410 631 P HA -0.022 nan 4.420 nan 0.000 0.271 631 P C -0.504 176.743 177.300 -0.088 0.000 1.244 631 P CA -0.414 62.397 63.100 -0.482 0.000 0.793 631 P CB 0.465 31.520 31.700 -1.075 0.000 0.984 632 E N 0.594 120.803 120.200 0.015 0.000 2.568 632 E HA 0.225 4.575 4.350 -0.000 0.000 0.262 632 E C 0.136 176.829 176.600 0.154 0.000 0.961 632 E CA 0.855 57.310 56.400 0.091 0.000 0.945 632 E CB -0.368 29.386 29.700 0.091 0.000 0.924 632 E HN 0.649 nan 8.360 nan 0.000 0.467 633 G N 3.304 112.170 108.800 0.111 0.000 2.347 633 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.477 633 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.477 633 G C -1.097 173.822 174.900 0.032 0.000 1.349 633 G CA -0.891 44.204 45.100 -0.008 0.000 1.000 633 G HN 0.476 nan 8.290 nan 0.000 0.605 634 R N 0.010 120.457 120.500 -0.088 0.000 2.230 634 R HA 0.347 4.687 4.340 -0.000 0.000 0.337 634 R C -0.801 175.482 176.300 -0.028 0.000 1.063 634 R CA -0.342 55.764 56.100 0.010 0.000 0.935 634 R CB 0.316 30.616 30.300 -0.000 0.000 1.121 634 R HN 0.436 nan 8.270 nan 0.000 0.486 635 W N 1.451 122.762 121.300 0.018 0.000 2.375 635 W HA 0.310 4.970 4.660 -0.000 0.000 0.336 635 W C 0.364 177.022 176.519 0.231 0.000 1.160 635 W CA -0.148 57.248 57.345 0.085 0.000 1.266 635 W CB 1.237 30.717 29.460 0.033 0.000 1.195 635 W HN 0.231 nan 8.180 nan 0.000 0.599 636 T N 1.712 116.555 114.554 0.482 0.000 2.861 636 T HA 0.096 4.446 4.350 -0.000 0.000 0.287 636 T C -0.877 173.902 174.700 0.132 0.000 1.003 636 T CA -0.655 61.683 62.100 0.397 0.000 0.977 636 T CB 1.073 70.228 68.868 0.479 0.000 0.996 636 T HN 0.276 nan 8.240 nan 0.000 0.448 637 H N 3.707 122.619 119.070 -0.264 0.000 2.899 637 H HA 0.180 4.736 4.556 -0.000 0.000 0.303 637 H C 1.218 176.339 175.328 -0.346 0.000 1.042 637 H CA -0.232 55.348 56.048 -0.779 0.000 1.479 637 H CB 0.597 29.840 29.762 -0.865 0.000 1.493 637 H HN 0.631 nan 8.280 nan 0.000 0.534 638 L N 4.198 125.138 121.223 -0.470 0.000 2.054 638 L HA -0.283 4.057 4.340 -0.000 0.000 0.220 638 L C 1.445 178.465 176.870 0.250 0.000 1.081 638 L CA 2.587 57.405 54.840 -0.037 0.000 0.780 638 L CB -0.170 41.905 42.059 0.026 0.000 0.893 638 L HN 0.819 nan 8.230 nan 0.000 0.438 639 W N -4.763 116.657 121.300 0.199 0.000 2.592 639 W HA 0.218 4.878 4.660 -0.000 0.000 0.306 639 W C 1.773 178.297 176.519 0.008 0.000 0.991 639 W CA -0.397 56.982 57.345 0.056 0.000 1.430 639 W CB -0.536 28.902 29.460 -0.037 0.000 1.017 639 W HN -0.096 nan 8.180 nan 0.000 0.557 640 H N 1.104 119.951 119.070 -0.371 0.000 2.535 640 H HA 0.057 4.613 4.556 -0.000 0.000 0.273 640 H C 0.813 176.064 175.328 -0.129 0.000 0.983 640 H CA 1.117 56.911 56.048 -0.423 0.000 1.238 640 H CB -0.214 28.980 29.762 -0.947 0.000 1.412 640 H HN 0.213 nan 8.280 nan 0.000 0.562 641 N N 1.173 119.926 118.700 0.088 0.000 2.815 641 N HA -0.175 4.565 4.740 -0.000 0.000 0.247 641 N C -0.679 174.909 175.510 0.131 0.000 1.030 641 N CA 1.057 54.184 53.050 0.129 0.000 0.881 641 N CB -0.922 37.630 38.487 0.110 0.000 1.134 641 N HN 0.665 nan 8.380 nan 0.000 0.582 642 D N 0.070 120.544 120.400 0.123 0.000 2.345 642 D HA 0.115 4.755 4.640 -0.000 0.000 0.247 642 D C -0.239 176.215 176.300 0.257 0.000 1.108 642 D CA 0.187 54.275 54.000 0.146 0.000 0.894 642 D CB 0.931 41.796 40.800 0.108 0.000 1.203 642 D HN 0.309 nan 8.370 nan 0.000 0.430 643 E N 0.965 121.288 120.200 0.206 0.000 2.214 643 E HA 0.588 4.937 4.350 -0.000 0.000 0.274 643 E C -0.511 176.179 176.600 0.149 0.000 0.977 643 E CA -0.863 55.674 56.400 0.227 0.000 0.827 643 E CB 2.233 32.029 29.700 0.161 0.000 1.130 643 E HN 0.368 nan 8.360 nan 0.000 0.394 644 L N 1.606 122.897 121.223 0.113 0.000 2.422 644 L HA 0.386 4.726 4.340 -0.000 0.000 0.264 644 L C -0.704 176.179 176.870 0.021 0.000 0.984 644 L CA -1.050 53.740 54.840 -0.083 0.000 0.819 644 L CB 2.143 43.891 42.059 -0.518 0.000 1.330 644 L HN 0.407 nan 8.230 nan 0.000 0.410 645 D N 1.135 121.562 120.400 0.045 0.000 2.255 645 D HA 0.396 5.036 4.640 -0.000 0.000 0.249 645 D C 0.120 176.490 176.300 0.117 0.000 1.078 645 D CA 0.087 54.147 54.000 0.100 0.000 0.896 645 D CB 2.332 43.178 40.800 0.077 0.000 1.194 645 D HN 0.667 nan 8.370 nan 0.000 0.429 646 G N -0.716 108.141 108.800 0.094 0.000 2.606 646 G HA2 0.339 4.299 3.960 -0.000 0.000 0.262 646 G HA3 0.339 4.299 3.960 -0.000 0.000 0.262 646 G C 0.115 174.941 174.900 -0.123 0.000 1.394 646 G CA -0.329 44.732 45.100 -0.064 0.000 1.044 646 G HN 0.474 nan 8.290 nan 0.000 0.553 647 S N -1.812 113.737 115.700 -0.251 0.000 3.482 647 S HA -0.168 4.302 4.470 -0.000 0.000 0.294 647 S C 0.339 174.943 174.600 0.006 0.000 1.244 647 S CA 1.667 59.840 58.200 -0.045 0.000 0.911 647 S CB -1.440 61.782 63.200 0.038 0.000 1.070 647 S HN 1.154 nan 8.310 nan 0.000 0.614 648 R N -1.967 118.370 120.500 -0.271 0.000 2.733 648 R HA 0.647 4.987 4.340 -0.000 0.000 0.272 648 R C -1.370 174.699 176.300 -0.384 0.000 1.029 648 R CA -1.174 54.846 56.100 -0.134 0.000 0.888 648 R CB 0.392 30.574 30.300 -0.197 0.000 1.251 648 R HN 0.091 nan 8.270 nan 0.000 0.464 649 W N 0.545 121.632 121.300 -0.355 0.000 2.253 649 W HA 0.457 5.117 4.660 -0.000 0.000 0.348 649 W C 0.364 176.356 176.519 -0.878 0.000 1.229 649 W CA 0.381 57.460 57.345 -0.443 0.000 1.335 649 W CB 0.811 30.143 29.460 -0.213 0.000 1.165 649 W HN 0.312 nan 8.180 nan 0.000 0.631 650 H N 1.344 120.158 119.070 -0.427 0.000 2.851 650 H HA 0.319 4.875 4.556 -0.000 0.000 0.372 650 H C -0.858 174.248 175.328 -0.369 0.000 1.158 650 H CA -0.991 54.727 56.048 -0.550 0.000 1.159 650 H CB 2.341 31.508 29.762 -0.991 0.000 1.757 650 H HN -0.022 nan 8.280 nan 0.000 0.546 651 K N 2.434 122.825 120.400 -0.016 0.000 2.376 651 K HA 0.371 4.691 4.320 -0.000 0.000 0.257 651 K C -0.847 175.849 176.600 0.159 0.000 0.939 651 K CA -0.371 55.965 56.287 0.081 0.000 0.809 651 K CB 1.874 34.397 32.500 0.039 0.000 1.121 651 K HN 0.753 nan 8.250 nan 0.000 0.425 652 Q N 1.411 121.366 119.800 0.258 0.000 2.626 652 Q HA 0.340 4.680 4.340 -0.000 0.000 0.300 652 Q C -1.381 174.770 176.000 0.252 0.000 0.988 652 Q CA -0.917 55.046 55.803 0.267 0.000 0.761 652 Q CB 2.871 31.890 28.738 0.469 0.000 1.494 652 Q HN 0.474 nan 8.270 nan 0.000 0.439 653 Q N 0.938 120.833 119.800 0.159 0.000 2.274 653 Q HA 0.357 4.697 4.340 -0.000 0.000 0.268 653 Q C -1.689 174.332 176.000 0.034 0.000 1.015 653 Q CA -0.277 55.600 55.803 0.123 0.000 0.775 653 Q CB 1.411 30.161 28.738 0.021 0.000 1.256 653 Q HN 0.664 nan 8.270 nan 0.000 0.442 654 H N 1.539 120.597 119.070 -0.020 0.000 2.679 654 H HA 0.488 5.044 4.556 -0.000 0.000 0.367 654 H C 0.004 175.273 175.328 -0.099 0.000 1.162 654 H CA -0.782 55.254 56.048 -0.019 0.000 1.181 654 H CB 2.137 31.935 29.762 0.060 0.000 1.693 654 H HN 0.822 nan 8.280 nan 0.000 0.538 655 G N 0.093 108.908 108.800 0.025 0.000 2.563 655 G HA2 0.164 4.124 3.960 -0.000 0.000 0.283 655 G HA3 0.164 4.124 3.960 -0.000 0.000 0.283 655 G C 0.196 175.062 174.900 -0.057 0.000 1.309 655 G CA -0.546 44.481 45.100 -0.121 0.000 1.022 655 G HN 0.576 nan 8.290 nan 0.000 0.501 656 F N -1.323 118.730 119.950 0.170 0.000 2.699 656 F HA 0.084 4.611 4.527 -0.000 0.000 0.298 656 F C 1.813 177.751 175.800 0.230 0.000 1.154 656 F CA -0.023 58.099 58.000 0.202 0.000 1.457 656 F CB 0.244 39.360 39.000 0.193 0.000 1.106 656 F HN 0.031 nan 8.300 nan 0.000 0.585 657 L N -0.850 120.512 121.223 0.231 0.000 2.791 657 L HA 0.251 4.591 4.340 -0.000 0.000 0.239 657 L C 0.317 177.213 176.870 0.044 0.000 1.203 657 L CA 0.077 54.832 54.840 -0.141 0.000 1.002 657 L CB -0.406 41.327 42.059 -0.544 0.000 1.295 657 L HN -0.032 nan 8.230 nan 0.000 0.504 658 S N -0.171 115.847 115.700 0.529 0.000 2.615 658 S HA 0.893 5.363 4.470 -0.000 0.000 0.269 658 S C -1.583 173.392 174.600 0.625 0.000 1.161 658 S CA -0.538 58.152 58.200 0.817 0.000 0.817 658 S CB 1.176 64.855 63.200 0.798 0.000 1.131 658 S HN 0.149 nan 8.310 nan 0.000 0.467 659 L N -1.273 120.255 121.223 0.507 0.000 3.002 659 L HA 0.649 4.989 4.340 -0.000 0.000 0.267 659 L C -3.227 173.535 176.870 -0.180 0.000 0.997 659 L CA -1.900 52.844 54.840 -0.160 0.000 0.961 659 L CB 1.356 43.396 42.059 -0.032 0.000 1.502 659 L HN 0.393 nan 8.230 nan 0.000 0.408 660 P HA 0.217 nan 4.420 nan 0.000 0.265 660 P C -0.909 176.180 177.300 -0.353 0.000 1.222 660 P CA 0.162 63.054 63.100 -0.347 0.000 0.767 660 P CB 0.764 31.906 31.700 -0.931 0.000 0.801 661 V N 5.855 125.413 119.914 -0.593 0.000 2.538 661 V HA 0.241 4.361 4.120 -0.000 0.000 0.265 661 V C -0.788 174.830 176.094 -0.794 0.000 0.977 661 V CA -0.543 61.423 62.300 -0.557 0.000 0.852 661 V CB -0.125 31.458 31.823 -0.400 0.000 1.058 661 V HN 0.371 nan 8.190 nan 0.000 0.462 662 Y N 1.746 121.824 120.300 -0.370 0.000 2.361 662 Y HA 0.653 5.203 4.550 -0.000 0.000 0.332 662 Y C 0.303 176.250 175.900 0.078 0.000 1.101 662 Y CA -0.818 57.200 58.100 -0.136 0.000 1.137 662 Y CB 1.995 40.437 38.460 -0.030 0.000 1.207 662 Y HN 0.301 nan 8.280 nan 0.000 0.463 663 V N 4.640 124.607 119.914 0.088 0.000 2.398 663 V HA 0.415 4.535 4.120 -0.000 0.000 0.286 663 V C 0.019 175.974 176.094 -0.233 0.000 1.026 663 V CA -1.235 60.939 62.300 -0.210 0.000 0.868 663 V CB 1.106 32.349 31.823 -0.967 0.000 0.982 663 V HN 0.766 nan 8.190 nan 0.000 0.443 664 R N 2.415 122.572 120.500 -0.572 0.000 2.707 664 R HA 0.284 4.624 4.340 -0.000 0.000 0.270 664 R C -0.448 175.471 176.300 -0.635 0.000 1.083 664 R CA -0.660 54.684 56.100 -1.261 0.000 1.182 664 R CB 0.265 29.785 30.300 -1.300 0.000 1.084 664 R HN 0.742 nan 8.270 nan 0.000 0.528 665 D N 0.179 120.231 120.400 -0.580 0.000 2.371 665 D HA -0.022 4.618 4.640 -0.000 0.000 0.242 665 D C -0.164 176.021 176.300 -0.191 0.000 1.218 665 D CA -0.488 53.349 54.000 -0.271 0.000 0.945 665 D CB 0.058 40.709 40.800 -0.248 0.000 1.137 665 D HN 0.676 nan 8.370 nan 0.000 0.464 666 N N -1.497 117.145 118.700 -0.098 0.000 2.735 666 N HA -0.150 4.590 4.740 -0.000 0.000 0.248 666 N C -0.910 174.595 175.510 -0.009 0.000 1.083 666 N CA 0.949 53.971 53.050 -0.047 0.000 0.703 666 N CB -1.720 36.727 38.487 -0.065 0.000 1.005 666 N HN 0.539 nan 8.380 nan 0.000 0.550 667 T N 0.952 115.521 114.554 0.025 0.000 2.829 667 T HA 0.547 4.897 4.350 -0.000 0.000 0.280 667 T C -0.112 174.697 174.700 0.181 0.000 0.999 667 T CA -0.562 61.564 62.100 0.043 0.000 0.983 667 T CB 2.305 71.115 68.868 -0.098 0.000 0.968 667 T HN 0.151 nan 8.240 nan 0.000 0.446 668 L N 4.900 126.216 121.223 0.154 0.000 2.324 668 L HA 0.557 4.897 4.340 -0.000 0.000 0.274 668 L C -1.158 175.861 176.870 0.248 0.000 1.012 668 L CA -0.712 54.255 54.840 0.211 0.000 0.859 668 L CB 0.733 42.858 42.059 0.110 0.000 1.224 668 L HN 0.461 nan 8.230 nan 0.000 0.429 669 L N 4.382 125.805 121.223 0.333 0.000 2.322 669 L HA 0.787 5.127 4.340 -0.000 0.000 0.279 669 L C -0.406 176.655 176.870 0.318 0.000 1.036 669 L CA -0.353 54.631 54.840 0.240 0.000 0.807 669 L CB 1.661 43.802 42.059 0.135 0.000 1.226 669 L HN 0.749 nan 8.230 nan 0.000 0.433 670 A N 6.596 129.543 122.820 0.212 0.000 2.273 670 A HA 0.658 4.978 4.320 -0.000 0.000 0.315 670 A C -0.863 176.735 177.584 0.023 0.000 1.256 670 A CA -0.550 51.512 52.037 0.042 0.000 0.851 670 A CB 0.666 19.660 19.000 -0.010 0.000 1.172 670 A HN 0.714 nan 8.150 nan 0.000 0.508 671 L N 2.572 123.812 121.223 0.029 0.000 2.325 671 L HA 0.657 4.997 4.340 -0.000 0.000 0.278 671 L C 0.971 177.880 176.870 0.065 0.000 1.023 671 L CA -0.754 54.122 54.840 0.059 0.000 0.811 671 L CB 2.051 44.157 42.059 0.078 0.000 1.249 671 L HN 0.810 nan 8.230 nan 0.000 0.431 672 G N 0.185 109.076 108.800 0.152 0.000 2.502 672 G HA2 0.176 4.136 3.960 -0.000 0.000 0.305 672 G HA3 0.176 4.136 3.960 -0.000 0.000 0.305 672 G C 0.444 175.456 174.900 0.187 0.000 1.190 672 G CA -0.498 44.777 45.100 0.292 0.000 0.933 672 G HN 0.808 nan 8.290 nan 0.000 0.503 673 N N -0.799 117.991 118.700 0.150 0.000 2.353 673 N HA -0.031 4.709 4.740 -0.000 0.000 0.185 673 N C 0.282 175.700 175.510 -0.153 0.000 1.098 673 N CA -0.202 52.851 53.050 0.004 0.000 0.872 673 N CB 0.246 38.740 38.487 0.011 0.000 0.970 673 N HN 0.304 nan 8.380 nan 0.000 0.467 674 N N 1.049 119.506 118.700 -0.405 0.000 2.419 674 N HA 0.065 4.805 4.740 -0.000 0.000 0.277 674 N C -0.958 174.340 175.510 -0.353 0.000 1.006 674 N CA -0.233 52.430 53.050 -0.645 0.000 0.923 674 N CB 1.156 38.732 38.487 -1.518 0.000 1.140 674 N HN 0.278 nan 8.380 nan 0.000 0.488 675 D N 2.068 122.358 120.400 -0.184 0.000 2.535 675 D HA 0.071 4.711 4.640 -0.000 0.000 0.229 675 D C 0.098 176.387 176.300 -0.018 0.000 1.238 675 D CA 0.110 54.067 54.000 -0.072 0.000 0.824 675 D CB 0.497 41.244 40.800 -0.088 0.000 1.045 675 D HN 0.336 nan 8.370 nan 0.000 0.500 676 Q N 0.512 120.296 119.800 -0.026 0.000 2.378 676 Q HA 0.185 4.525 4.340 -0.000 0.000 0.229 676 Q C 0.635 176.755 176.000 0.200 0.000 0.882 676 Q CA 0.481 56.313 55.803 0.048 0.000 0.936 676 Q CB 1.501 30.231 28.738 -0.013 0.000 1.092 676 Q HN 0.527 nan 8.270 nan 0.000 0.535 677 R N -0.565 120.048 120.500 0.187 0.000 2.739 677 R HA 0.426 4.766 4.340 -0.000 0.000 0.271 677 R C -2.526 173.965 176.300 0.318 0.000 1.010 677 R CA -1.428 54.853 56.100 0.302 0.000 0.897 677 R CB 1.302 31.759 30.300 0.262 0.000 1.236 677 R HN -0.305 nan 8.270 nan 0.000 0.466 678 P HA -0.036 nan 4.420 nan 0.000 0.226 678 P C -0.720 176.804 177.300 0.374 0.000 1.161 678 P CA 0.847 64.119 63.100 0.287 0.000 0.804 678 P CB 0.136 31.912 31.700 0.126 0.000 0.829 679 D N 0.830 121.394 120.400 0.274 0.000 2.412 679 D HA 0.225 4.865 4.640 -0.000 0.000 0.224 679 D C -0.310 175.977 176.300 -0.021 0.000 1.093 679 D CA -0.770 53.252 54.000 0.037 0.000 0.850 679 D CB 0.334 41.162 40.800 0.046 0.000 1.046 679 D HN 0.243 nan 8.370 nan 0.000 0.507 680 Y N -1.761 118.245 120.300 -0.490 0.000 2.725 680 Y HA 0.435 4.984 4.550 -0.000 0.000 0.333 680 Y C -0.937 174.458 175.900 -0.842 0.000 1.242 680 Y CA -1.683 56.132 58.100 -0.475 0.000 1.059 680 Y CB 0.534 38.870 38.460 -0.206 0.000 1.306 680 Y HN -0.049 nan 8.280 nan 0.000 0.454 681 V N 2.907 122.576 119.914 -0.410 0.000 2.382 681 V HA -0.110 4.010 4.120 -0.000 0.000 0.250 681 V C 0.392 176.222 176.094 -0.439 0.000 1.069 681 V CA -0.107 61.849 62.300 -0.573 0.000 1.130 681 V CB -0.978 30.596 31.823 -0.414 0.000 1.165 681 V HN 0.831 nan 8.190 nan 0.000 0.483 682 W N 3.143 124.193 121.300 -0.416 0.000 2.392 682 W HA -0.104 4.556 4.660 -0.000 0.000 0.279 682 W C 2.060 178.501 176.519 -0.130 0.000 1.225 682 W CA 1.406 58.566 57.345 -0.307 0.000 1.233 682 W CB -0.693 28.577 29.460 -0.316 0.000 1.122 682 W HN 0.998 nan 8.180 nan 0.000 0.561 683 H N -1.127 118.034 119.070 0.152 0.000 2.536 683 H HA 0.316 4.871 4.556 -0.000 0.000 0.276 683 H C -0.433 174.918 175.328 0.039 0.000 1.019 683 H CA 0.173 56.267 56.048 0.077 0.000 1.159 683 H CB -0.748 29.048 29.762 0.057 0.000 1.373 683 H HN -0.012 nan 8.280 nan 0.000 0.584 684 E N 0.382 120.608 120.200 0.044 0.000 2.182 684 E HA 0.403 4.753 4.350 -0.000 0.000 0.258 684 E C 0.089 176.751 176.600 0.103 0.000 0.879 684 E CA -0.419 56.039 56.400 0.098 0.000 0.754 684 E CB 1.566 31.279 29.700 0.022 0.000 1.162 684 E HN 0.560 nan 8.360 nan 0.000 0.419 685 G N 3.031 111.912 108.800 0.134 0.000 2.136 685 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.242 685 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.242 685 G C 0.480 175.447 174.900 0.113 0.000 0.989 685 G CA 0.567 45.735 45.100 0.115 0.000 0.682 685 G HN 0.539 nan 8.290 nan 0.000 0.522 686 T N -0.022 114.591 114.554 0.099 0.000 2.916 686 T HA 0.564 4.914 4.350 -0.000 0.000 0.303 686 T C 0.647 175.277 174.700 -0.117 0.000 1.025 686 T CA 0.952 63.015 62.100 -0.061 0.000 1.142 686 T CB 0.837 69.545 68.868 -0.266 0.000 0.947 686 T HN 1.689 nan 8.240 nan 0.000 0.544 687 A N 5.612 128.366 122.820 -0.110 0.000 2.280 687 A HA 0.636 4.955 4.320 -0.000 0.000 0.320 687 A C -0.394 177.151 177.584 -0.065 0.000 1.366 687 A CA -0.717 51.314 52.037 -0.010 0.000 0.938 687 A CB -0.206 18.878 19.000 0.139 0.000 1.157 687 A HN 0.778 nan 8.150 nan 0.000 0.536 688 F N 1.935 121.956 119.950 0.119 0.000 2.399 688 F HA 0.358 4.885 4.527 -0.000 0.000 0.342 688 F C 1.008 176.746 175.800 -0.105 0.000 1.106 688 F CA 0.550 58.611 58.000 0.102 0.000 1.196 688 F CB 0.961 40.006 39.000 0.075 0.000 1.163 688 F HN 0.496 nan 8.300 nan 0.000 0.547 689 H N 3.484 122.728 119.070 0.291 0.000 2.744 689 H HA 0.333 4.889 4.556 -0.000 0.000 0.339 689 H C -1.313 174.091 175.328 0.127 0.000 1.004 689 H CA -0.876 55.242 56.048 0.117 0.000 1.257 689 H CB 2.364 32.194 29.762 0.112 0.000 1.552 689 H HN 0.381 nan 8.280 nan 0.000 0.522 690 L N 4.034 125.265 121.223 0.014 0.000 2.295 690 L HA 0.397 4.737 4.340 -0.000 0.000 0.285 690 L C -1.419 175.396 176.870 -0.092 0.000 1.035 690 L CA -0.275 54.604 54.840 0.066 0.000 0.806 690 L CB 0.220 42.298 42.059 0.032 0.000 1.214 690 L HN 0.326 nan 8.230 nan 0.000 0.426 691 F N 4.063 124.035 119.950 0.036 0.000 2.477 691 F HA 0.421 4.948 4.527 -0.000 0.000 0.335 691 F C 0.721 176.503 175.800 -0.031 0.000 1.130 691 F CA -0.971 57.035 58.000 0.009 0.000 0.948 691 F CB 0.944 39.937 39.000 -0.012 0.000 1.154 691 F HN 0.497 nan 8.300 nan 0.000 0.439 692 N N 2.729 121.503 118.700 0.124 0.000 2.691 692 N HA -0.231 4.509 4.740 -0.000 0.000 0.277 692 N C -0.808 174.699 175.510 -0.004 0.000 1.029 692 N CA 0.272 53.347 53.050 0.041 0.000 0.798 692 N CB -0.346 38.155 38.487 0.022 0.000 0.922 692 N HN 0.461 nan 8.380 nan 0.000 0.562 693 L N 1.727 122.955 121.223 0.008 0.000 2.315 693 L HA 0.123 4.463 4.340 -0.000 0.000 0.283 693 L C 0.712 177.566 176.870 -0.026 0.000 1.089 693 L CA 0.174 55.012 54.840 -0.004 0.000 0.833 693 L CB 0.711 42.787 42.059 0.028 0.000 1.170 693 L HN 0.174 nan 8.230 nan 0.000 0.442 694 Q N 2.456 122.197 119.800 -0.099 0.000 2.312 694 Q HA 0.152 4.492 4.340 -0.000 0.000 0.236 694 Q C -0.537 175.521 176.000 0.096 0.000 0.965 694 Q CA -0.722 55.031 55.803 -0.083 0.000 0.894 694 Q CB 0.906 29.440 28.738 -0.339 0.000 1.225 694 Q HN 0.559 nan 8.270 nan 0.000 0.478 695 D N -0.140 120.321 120.400 0.102 0.000 2.450 695 D HA 0.106 4.746 4.640 -0.000 0.000 0.247 695 D C 0.719 177.130 176.300 0.184 0.000 1.162 695 D CA 1.640 55.707 54.000 0.113 0.000 0.879 695 D CB 0.296 41.138 40.800 0.070 0.000 1.163 695 D HN 0.725 nan 8.370 nan 0.000 0.472 696 G N 2.796 111.663 108.800 0.111 0.000 2.175 696 G HA2 -0.231 3.728 3.960 -0.000 0.000 0.244 696 G HA3 -0.231 3.728 3.960 -0.000 0.000 0.244 696 G C 0.100 174.950 174.900 -0.084 0.000 0.982 696 G CA 0.323 45.434 45.100 0.019 0.000 0.641 696 G HN 0.695 nan 8.290 nan 0.000 0.527 697 H N -0.107 118.960 119.070 -0.004 0.000 2.616 697 H HA 0.746 5.302 4.556 -0.000 0.000 0.353 697 H C -0.155 175.167 175.328 -0.010 0.000 1.170 697 H CA -0.362 55.682 56.048 -0.008 0.000 1.212 697 H CB 1.677 31.434 29.762 -0.008 0.000 1.653 697 H HN 0.292 nan 8.280 nan 0.000 0.537 698 E N 0.853 121.109 120.200 0.093 0.000 2.246 698 E HA 0.649 4.999 4.350 -0.000 0.000 0.266 698 E C -1.535 175.089 176.600 0.040 0.000 0.880 698 E CA -1.122 55.302 56.400 0.041 0.000 0.762 698 E CB 1.159 30.859 29.700 -0.001 0.000 1.180 698 E HN 0.728 nan 8.360 nan 0.000 0.416 699 A N 3.755 126.592 122.820 0.029 0.000 2.288 699 A HA 0.610 4.930 4.320 -0.000 0.000 0.320 699 A C -0.874 176.707 177.584 -0.005 0.000 1.217 699 A CA -0.566 51.485 52.037 0.024 0.000 0.840 699 A CB 1.147 20.172 19.000 0.042 0.000 1.179 699 A HN 0.393 nan 8.150 nan 0.000 0.504 700 V N 1.054 120.964 119.914 -0.008 0.000 2.715 700 V HA 0.615 4.735 4.120 -0.000 0.000 0.310 700 V C -0.285 175.805 176.094 -0.006 0.000 1.054 700 V CA -0.596 61.683 62.300 -0.036 0.000 0.928 700 V CB 1.589 33.387 31.823 -0.042 0.000 1.007 700 V HN 1.075 nan 8.190 nan 0.000 0.437 701 C N 3.800 123.080 119.300 -0.032 0.000 2.481 701 C HA 0.649 5.109 4.460 -0.000 0.000 0.324 701 C C -0.654 174.348 174.990 0.020 0.000 1.170 701 C CA -0.383 58.665 59.018 0.051 0.000 1.361 701 C CB 0.688 28.515 27.740 0.145 0.000 1.977 701 C HN 1.023 nan 8.230 nan 0.000 0.459 702 E N 4.450 124.688 120.200 0.064 0.000 2.145 702 E HA 0.429 4.779 4.350 -0.000 0.000 0.262 702 E C -0.861 175.819 176.600 0.134 0.000 0.883 702 E CA -0.509 55.925 56.400 0.055 0.000 0.748 702 E CB 1.841 31.552 29.700 0.018 0.000 1.140 702 E HN 0.536 nan 8.360 nan 0.000 0.417 703 V N 5.601 125.653 119.914 0.229 0.000 2.455 703 V HA 0.207 4.327 4.120 -0.000 0.000 0.273 703 V C -1.680 174.571 176.094 0.262 0.000 1.045 703 V CA -1.468 60.996 62.300 0.274 0.000 0.976 703 V CB 0.381 32.454 31.823 0.416 0.000 0.993 703 V HN 0.597 nan 8.190 nan 0.000 0.475 704 P HA 0.421 nan 4.420 nan 0.000 0.278 704 P C -0.590 177.000 177.300 0.483 0.000 1.258 704 P CA -0.324 62.955 63.100 0.298 0.000 0.811 704 P CB 1.572 33.417 31.700 0.242 0.000 1.063 705 A N 1.296 124.349 122.820 0.389 0.000 2.248 705 A HA 0.563 4.883 4.320 -0.000 0.000 0.316 705 A C 1.641 179.407 177.584 0.304 0.000 1.101 705 A CA -0.002 52.218 52.037 0.304 0.000 0.875 705 A CB -0.218 18.898 19.000 0.194 0.000 1.207 705 A HN 0.495 nan 8.150 nan 0.000 0.504 706 A N -0.085 122.732 122.820 -0.004 0.000 2.076 706 A HA -0.121 4.198 4.320 -0.000 0.000 0.220 706 A C 1.231 178.880 177.584 0.109 0.000 1.160 706 A CA 2.021 53.966 52.037 -0.153 0.000 0.653 706 A CB -0.538 18.302 19.000 -0.267 0.000 0.801 706 A HN 0.833 nan 8.150 nan 0.000 0.455 707 D N -2.610 117.901 120.400 0.185 0.000 2.342 707 D HA 0.286 4.926 4.640 -0.000 0.000 0.221 707 D C 1.160 177.625 176.300 0.275 0.000 1.101 707 D CA 0.870 54.998 54.000 0.213 0.000 0.837 707 D CB -0.361 40.514 40.800 0.126 0.000 0.938 707 D HN 0.664 nan 8.370 nan 0.000 0.508 708 G N 0.845 109.895 108.800 0.418 0.000 2.284 708 G HA2 -0.333 3.626 3.960 -0.000 0.000 0.247 708 G HA3 -0.333 3.626 3.960 -0.000 0.000 0.247 708 G C 0.526 175.521 174.900 0.158 0.000 1.012 708 G CA 0.487 45.748 45.100 0.268 0.000 0.618 708 G HN 0.825 nan 8.290 nan 0.000 0.521 709 S N -0.316 115.473 115.700 0.148 0.000 2.584 709 S HA 0.540 5.009 4.470 -0.000 0.000 0.270 709 S C 0.582 175.255 174.600 0.122 0.000 1.346 709 S CA 0.144 58.406 58.200 0.104 0.000 1.018 709 S CB 2.085 65.337 63.200 0.087 0.000 0.899 709 S HN 1.697 nan 8.310 nan 0.000 0.542 710 V N 3.887 123.854 119.914 0.088 0.000 2.427 710 V HA 0.309 4.429 4.120 -0.000 0.000 0.268 710 V C 0.564 176.721 176.094 0.105 0.000 1.046 710 V CA -0.265 62.092 62.300 0.095 0.000 0.970 710 V CB 0.165 32.017 31.823 0.048 0.000 1.001 710 V HN 1.004 nan 8.190 nan 0.000 0.476 711 I N 6.279 126.942 120.570 0.156 0.000 3.854 711 I HA 0.392 4.562 4.170 -0.000 0.000 0.312 711 I C -0.253 175.988 176.117 0.207 0.000 1.273 711 I CA 0.125 61.511 61.300 0.144 0.000 1.298 711 I CB 0.334 38.419 38.000 0.141 0.000 1.071 711 I HN 0.620 nan 8.210 nan 0.000 0.428 712 F N -0.030 119.942 119.950 0.036 0.000 2.628 712 F HA 0.465 4.992 4.527 -0.000 0.000 0.309 712 F C -1.133 174.669 175.800 0.004 0.000 1.108 712 F CA -0.476 57.531 58.000 0.011 0.000 0.971 712 F CB 1.790 40.811 39.000 0.035 0.000 1.279 712 F HN -0.383 nan 8.300 nan 0.000 0.441 713 T N 6.328 120.370 114.554 -0.852 0.000 2.881 713 T HA 0.576 4.926 4.350 -0.000 0.000 0.290 713 T C -1.587 172.548 174.700 -0.942 0.000 1.000 713 T CA -0.527 61.193 62.100 -0.634 0.000 0.978 713 T CB 1.616 70.278 68.868 -0.343 0.000 0.997 713 T HN 0.667 nan 8.240 nan 0.000 0.443 714 L N 3.352 124.184 121.223 -0.652 0.000 2.376 714 L HA 0.599 4.939 4.340 -0.000 0.000 0.275 714 L C -0.958 175.703 176.870 -0.349 0.000 0.987 714 L CA -0.701 53.765 54.840 -0.623 0.000 0.828 714 L CB 1.210 42.740 42.059 -0.882 0.000 1.249 714 L HN 0.499 nan 8.230 nan 0.000 0.409 715 K N 3.965 124.212 120.400 -0.256 0.000 2.203 715 K HA 0.803 5.122 4.320 -0.000 0.000 0.251 715 K C -0.972 175.565 176.600 -0.106 0.000 0.944 715 K CA -0.743 55.455 56.287 -0.148 0.000 0.829 715 K CB 2.428 34.860 32.500 -0.114 0.000 1.125 715 K HN 0.577 nan 8.250 nan 0.000 0.430 716 A N 1.530 124.314 122.820 -0.061 0.000 2.522 716 A HA 0.631 4.951 4.320 -0.000 0.000 0.285 716 A C -1.074 176.508 177.584 -0.003 0.000 1.198 716 A CA -0.607 51.414 52.037 -0.027 0.000 0.742 716 A CB 1.034 20.025 19.000 -0.015 0.000 1.176 716 A HN 0.696 nan 8.150 nan 0.000 0.444 717 A N 2.525 125.344 122.820 -0.001 0.000 2.317 717 A HA 0.832 5.151 4.320 -0.000 0.000 0.327 717 A C 0.121 177.717 177.584 0.019 0.000 1.178 717 A CA -0.653 51.390 52.037 0.010 0.000 0.817 717 A CB 0.872 19.870 19.000 -0.003 0.000 1.189 717 A HN 0.799 nan 8.150 nan 0.000 0.489 718 R N 1.185 121.705 120.500 0.034 0.000 2.637 718 R HA 0.644 4.984 4.340 -0.000 0.000 0.291 718 R C -1.482 174.837 176.300 0.032 0.000 0.963 718 R CA -0.131 55.990 56.100 0.035 0.000 0.901 718 R CB 1.697 32.025 30.300 0.046 0.000 1.160 718 R HN 0.688 nan 8.270 nan 0.000 0.457 719 T N 2.417 116.985 114.554 0.023 0.000 2.985 719 T HA 0.399 4.749 4.350 -0.000 0.000 0.315 719 T C 0.310 175.022 174.700 0.019 0.000 1.001 719 T CA 0.221 62.332 62.100 0.018 0.000 1.016 719 T CB 1.492 70.366 68.868 0.010 0.000 0.993 719 T HN 0.910 nan 8.240 nan 0.000 0.454 720 G N 4.302 113.115 108.800 0.022 0.000 2.687 720 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.303 720 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.303 720 G C 0.448 175.360 174.900 0.020 0.000 1.209 720 G CA 0.671 45.782 45.100 0.019 0.000 0.968 720 G HN 0.685 nan 8.290 nan 0.000 0.549 721 N N 0.434 119.144 118.700 0.017 0.000 2.241 721 N HA 0.298 5.038 4.740 -0.000 0.000 0.238 721 N C -0.767 174.752 175.510 0.015 0.000 1.244 721 N CA 0.230 53.289 53.050 0.016 0.000 0.880 721 N CB 1.177 39.672 38.487 0.014 0.000 1.179 721 N HN 0.387 nan 8.380 nan 0.000 0.513 722 T N 1.598 116.161 114.554 0.015 0.000 2.758 722 T HA 0.437 4.787 4.350 -0.000 0.000 0.285 722 T C -0.028 174.682 174.700 0.016 0.000 0.981 722 T CA -0.183 61.926 62.100 0.014 0.000 0.965 722 T CB 1.484 70.359 68.868 0.012 0.000 0.927 722 T HN 0.024 nan 8.240 nan 0.000 0.448 723 I N 3.299 123.880 120.570 0.017 0.000 2.312 723 I HA 0.257 4.426 4.170 -0.000 0.000 0.290 723 I C 0.308 176.436 176.117 0.018 0.000 1.008 723 I CA -0.569 60.743 61.300 0.019 0.000 1.226 723 I CB 1.352 39.364 38.000 0.021 0.000 1.371 723 I HN 0.478 nan 8.210 nan 0.000 0.468 724 T N 6.102 120.665 114.554 0.014 0.000 2.753 724 T HA 0.333 4.683 4.350 -0.000 0.000 0.297 724 T C 0.023 174.728 174.700 0.008 0.000 0.981 724 T CA -0.366 61.741 62.100 0.012 0.000 0.956 724 T CB 1.048 69.919 68.868 0.006 0.000 0.936 724 T HN 0.159 nan 8.240 nan 0.000 0.463 725 V N 3.812 123.739 119.914 0.022 0.000 2.465 725 V HA 0.675 4.795 4.120 -0.000 0.000 0.279 725 V C 0.547 176.654 176.094 0.020 0.000 1.045 725 V CA -0.447 61.864 62.300 0.018 0.000 0.938 725 V CB 1.598 33.463 31.823 0.069 0.000 0.986 725 V HN 0.926 nan 8.190 nan 0.000 0.467 726 T N 3.558 118.092 114.554 -0.033 0.000 2.991 726 T HA 0.684 5.034 4.350 -0.000 0.000 0.303 726 T C -0.167 174.458 174.700 -0.124 0.000 1.015 726 T CA 0.061 62.140 62.100 -0.035 0.000 1.007 726 T CB 1.151 69.996 68.868 -0.040 0.000 1.034 726 T HN 0.959 nan 8.240 nan 0.000 0.446 727 G N 1.592 110.349 108.800 -0.072 0.000 2.509 727 G HA2 0.760 4.720 3.960 -0.000 0.000 0.328 727 G HA3 0.760 4.720 3.960 -0.000 0.000 0.328 727 G C 0.318 175.117 174.900 -0.169 0.000 1.194 727 G CA -0.179 44.778 45.100 -0.239 0.000 0.967 727 G HN 1.091 nan 8.290 nan 0.000 0.488 728 A N -0.523 122.108 122.820 -0.315 0.000 1.786 728 A HA 0.628 4.948 4.320 -0.000 0.000 0.208 728 A C 1.723 179.327 177.584 0.035 0.000 1.787 728 A CA 1.352 53.322 52.037 -0.112 0.000 1.125 728 A CB -0.628 18.280 19.000 -0.154 0.000 1.082 728 A HN 1.257 nan 8.150 nan 0.000 0.534 729 G N 0.614 109.428 108.800 0.023 0.000 2.572 729 G HA2 0.324 4.284 3.960 -0.000 0.000 0.144 729 G HA3 0.324 4.284 3.960 -0.000 0.000 0.144 729 G C 0.155 175.320 174.900 0.442 0.000 1.747 729 G CA 0.848 46.108 45.100 0.267 0.000 1.007 729 G HN 0.886 nan 8.290 nan 0.000 0.452 730 E N -1.870 118.562 120.200 0.387 0.000 2.290 730 E HA 0.681 5.031 4.350 -0.000 0.000 0.274 730 E C -0.775 175.612 176.600 -0.355 0.000 0.889 730 E CA -0.760 55.656 56.400 0.028 0.000 0.760 730 E CB 1.890 31.556 29.700 -0.056 0.000 1.206 730 E HN 0.779 nan 8.360 nan 0.000 0.419 731 A N 3.011 125.569 122.820 -0.436 0.000 2.609 731 A HA 0.798 5.117 4.320 -0.000 0.000 0.291 731 A C -1.438 176.170 177.584 0.040 0.000 1.096 731 A CA -1.062 50.754 52.037 -0.369 0.000 0.684 731 A CB 1.720 20.065 19.000 -1.091 0.000 1.282 731 A HN 0.529 nan 8.150 nan 0.000 0.412 732 K N 0.593 121.107 120.400 0.190 0.000 2.502 732 K HA 0.511 4.831 4.320 -0.000 0.000 0.257 732 K C -0.662 176.043 176.600 0.176 0.000 0.938 732 K CA -0.810 55.578 56.287 0.168 0.000 0.819 732 K CB 1.814 34.377 32.500 0.105 0.000 1.333 732 K HN 0.818 nan 8.250 nan 0.000 0.434 733 N N 1.429 120.163 118.700 0.057 0.000 2.735 733 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 733 N C -0.756 174.817 175.510 0.105 0.000 1.083 733 N CA 0.516 53.577 53.050 0.018 0.000 0.703 733 N CB -0.736 37.774 38.487 0.038 0.000 1.005 733 N HN 0.590 nan 8.380 nan 0.000 0.550 734 W N 0.959 122.302 121.300 0.073 0.000 2.448 734 W HA 0.606 5.266 4.660 -0.000 0.000 0.339 734 W C 0.235 176.849 176.519 0.159 0.000 1.124 734 W CA -0.359 57.069 57.345 0.138 0.000 1.262 734 W CB 0.468 30.108 29.460 0.300 0.000 1.251 734 W HN -0.038 nan 8.180 nan 0.000 0.597 735 T N 0.271 115.144 114.554 0.532 0.000 2.926 735 T HA 0.749 5.099 4.350 -0.000 0.000 0.289 735 T C -1.140 173.884 174.700 0.539 0.000 1.054 735 T CA -1.042 61.271 62.100 0.355 0.000 1.015 735 T CB 2.430 71.380 68.868 0.137 0.000 1.167 735 T HN 0.612 nan 8.240 nan 0.000 0.526 736 L N 0.856 122.271 121.223 0.321 0.000 2.439 736 L HA 0.605 4.945 4.340 -0.000 0.000 0.270 736 L C -1.156 175.734 176.870 0.034 0.000 0.972 736 L CA -0.900 54.091 54.840 0.252 0.000 0.836 736 L CB 1.492 43.737 42.059 0.311 0.000 1.255 736 L HN 1.078 nan 8.230 nan 0.000 0.404 737 C N 6.662 125.883 119.300 -0.132 0.000 2.251 737 C HA 0.434 4.894 4.460 -0.000 0.000 0.323 737 C C 0.052 174.963 174.990 -0.131 0.000 1.241 737 C CA -0.914 57.999 59.018 -0.175 0.000 1.601 737 C CB -0.026 27.505 27.740 -0.349 0.000 2.251 737 C HN 0.606 nan 8.230 nan 0.000 0.488 738 L N 7.438 128.617 121.223 -0.073 0.000 2.462 738 L HA 0.307 4.647 4.340 -0.000 0.000 0.283 738 L C 0.940 177.749 176.870 -0.101 0.000 1.166 738 L CA 0.591 55.388 54.840 -0.072 0.000 0.964 738 L CB -0.885 41.157 42.059 -0.030 0.000 1.294 738 L HN 0.644 nan 8.230 nan 0.000 0.449 739 R N 3.818 124.197 120.500 -0.202 0.000 2.504 739 R HA -0.057 4.283 4.340 -0.000 0.000 0.291 739 R C 0.856 177.101 176.300 -0.091 0.000 0.974 739 R CA 0.101 56.072 56.100 -0.214 0.000 1.077 739 R CB -0.156 29.822 30.300 -0.536 0.000 0.926 739 R HN 0.527 nan 8.270 nan 0.000 0.407 740 N N -0.132 118.546 118.700 -0.036 0.000 2.753 740 N HA -0.182 4.558 4.740 -0.000 0.000 0.251 740 N C -0.914 174.597 175.510 0.001 0.000 1.097 740 N CA 0.977 54.027 53.050 0.001 0.000 0.786 740 N CB -0.661 37.839 38.487 0.022 0.000 1.137 740 N HN 0.234 nan 8.380 nan 0.000 0.566 741 V N 1.430 121.338 119.914 -0.009 0.000 2.311 741 V HA 0.193 4.312 4.120 -0.000 0.000 0.275 741 V C 1.644 177.738 176.094 0.001 0.000 1.022 741 V CA -0.427 61.872 62.300 -0.003 0.000 0.830 741 V CB 1.763 33.581 31.823 -0.008 0.000 1.012 741 V HN -0.067 nan 8.190 nan 0.000 0.452 742 V N 4.122 124.040 119.914 0.007 0.000 2.379 742 V HA -0.034 4.086 4.120 -0.000 0.000 0.245 742 V C 0.880 176.978 176.094 0.007 0.000 1.044 742 V CA 1.628 63.933 62.300 0.009 0.000 1.036 742 V CB -0.652 31.178 31.823 0.011 0.000 0.664 742 V HN 0.977 nan 8.190 nan 0.000 0.453 743 K N -1.107 119.297 120.400 0.006 0.000 2.555 743 K HA 0.712 5.032 4.320 -0.000 0.000 0.279 743 K C -1.801 174.802 176.600 0.006 0.000 0.986 743 K CA -0.662 55.629 56.287 0.006 0.000 0.880 743 K CB 2.784 35.288 32.500 0.006 0.000 1.474 743 K HN -0.169 nan 8.250 nan 0.000 0.433 744 V N 0.950 120.867 119.914 0.005 0.000 2.876 744 V HA 0.422 4.542 4.120 -0.000 0.000 0.312 744 V C -1.348 174.750 176.094 0.006 0.000 1.085 744 V CA -0.863 61.441 62.300 0.006 0.000 0.945 744 V CB 1.984 33.811 31.823 0.006 0.000 1.017 744 V HN 0.978 nan 8.190 nan 0.000 0.428 745 N N 4.059 122.763 118.700 0.006 0.000 3.114 745 N HA 0.595 5.335 4.740 -0.000 0.000 0.289 745 N C -0.212 175.301 175.510 0.005 0.000 1.519 745 N CA 0.007 53.060 53.050 0.005 0.000 1.026 745 N CB 1.272 39.763 38.487 0.006 0.000 1.306 745 N HN 1.112 nan 8.380 nan 0.000 0.495 746 G N 1.028 109.831 108.800 0.005 0.000 2.088 746 G HA2 0.214 4.173 3.960 -0.000 0.000 0.222 746 G HA3 0.214 4.173 3.960 -0.000 0.000 0.222 746 G C -1.907 172.997 174.900 0.005 0.000 1.690 746 G CA -0.872 44.231 45.100 0.005 0.000 0.923 746 G HN 0.341 nan 8.290 nan 0.000 0.730 747 L N 1.979 123.204 121.223 0.004 0.000 2.482 747 L HA 0.578 4.918 4.340 -0.000 0.000 0.263 747 L C 0.222 177.094 176.870 0.002 0.000 0.957 747 L CA -0.951 53.892 54.840 0.004 0.000 0.836 747 L CB 2.124 44.183 42.059 0.001 0.000 1.324 747 L HN 0.657 nan 8.230 nan 0.000 0.406 748 Q N 1.012 120.815 119.800 0.004 0.000 2.875 748 Q HA 0.126 4.465 4.340 -0.000 0.000 0.285 748 Q C -0.471 175.527 176.000 -0.003 0.000 1.123 748 Q CA -0.035 55.769 55.803 0.003 0.000 0.476 748 Q CB 0.167 28.909 28.738 0.008 0.000 4.981 748 Q HN 0.647 nan 8.270 nan 0.000 0.362 749 D N 0.931 121.330 120.400 -0.001 0.000 2.826 749 D HA 0.296 4.936 4.640 -0.000 0.000 0.229 749 D C -0.569 175.713 176.300 -0.030 0.000 1.091 749 D CA 0.410 54.404 54.000 -0.011 0.000 1.061 749 D CB -0.563 40.237 40.800 0.000 0.000 1.155 749 D HN 0.427 nan 8.370 nan 0.000 0.450 750 G N -0.749 108.032 108.800 -0.032 0.000 2.596 750 G HA2 0.383 4.343 3.960 -0.000 0.000 0.296 750 G HA3 0.383 4.343 3.960 -0.000 0.000 0.296 750 G C -0.442 174.435 174.900 -0.038 0.000 1.513 750 G CA -0.743 44.328 45.100 -0.049 0.000 0.851 750 G HN 0.143 nan 8.290 nan 0.000 0.548 751 S N -0.071 115.600 115.700 -0.049 0.000 2.681 751 S HA 0.825 5.294 4.470 -0.000 0.000 0.270 751 S C -0.063 174.521 174.600 -0.027 0.000 1.209 751 S CA -0.233 57.946 58.200 -0.035 0.000 0.988 751 S CB 1.690 64.865 63.200 -0.041 0.000 1.006 751 S HN 1.339 nan 8.310 nan 0.000 0.558 752 Q N -0.625 119.164 119.800 -0.018 0.000 2.435 752 Q HA 0.714 5.054 4.340 -0.000 0.000 0.282 752 Q C -1.843 174.152 176.000 -0.008 0.000 1.020 752 Q CA -1.467 54.329 55.803 -0.011 0.000 0.820 752 Q CB 1.742 30.476 28.738 -0.006 0.000 1.436 752 Q HN 1.163 nan 8.270 nan 0.000 0.395 753 A N 1.515 124.333 122.820 -0.004 0.000 2.540 753 A HA 0.553 4.873 4.320 -0.000 0.000 0.297 753 A C -1.235 176.351 177.584 0.004 0.000 1.056 753 A CA -0.678 51.359 52.037 -0.000 0.000 0.700 753 A CB 1.898 20.898 19.000 -0.001 0.000 1.280 753 A HN 0.738 nan 8.150 nan 0.000 0.398 754 E N 0.442 120.646 120.200 0.007 0.000 2.438 754 E HA 0.437 4.787 4.350 -0.000 0.000 0.261 754 E C 0.241 176.850 176.600 0.015 0.000 1.103 754 E CA 1.197 57.604 56.400 0.011 0.000 0.959 754 E CB 0.546 30.253 29.700 0.012 0.000 0.958 754 E HN 0.835 nan 8.360 nan 0.000 0.447 755 S N 0.589 116.301 115.700 0.020 0.000 2.556 755 S HA 0.162 4.631 4.470 -0.000 0.000 0.280 755 S C 0.400 175.021 174.600 0.036 0.000 1.141 755 S CA -0.498 57.720 58.200 0.029 0.000 0.883 755 S CB 1.135 64.353 63.200 0.031 0.000 1.103 755 S HN 0.524 nan 8.310 nan 0.000 0.453 756 E N 2.589 122.816 120.200 0.046 0.000 2.048 756 E HA -0.221 4.129 4.350 -0.000 0.000 0.202 756 E C 1.547 178.181 176.600 0.056 0.000 1.021 756 E CA 2.550 58.982 56.400 0.053 0.000 0.825 756 E CB -0.215 29.524 29.700 0.065 0.000 0.756 756 E HN 0.750 nan 8.360 nan 0.000 0.454 757 Q N -0.782 119.060 119.800 0.069 0.000 2.291 757 Q HA 0.148 4.488 4.340 -0.000 0.000 0.205 757 Q C 0.478 176.498 176.000 0.033 0.000 0.970 757 Q CA 0.677 56.521 55.803 0.068 0.000 0.876 757 Q CB 0.328 29.131 28.738 0.108 0.000 0.935 757 Q HN 0.343 nan 8.270 nan 0.000 0.455 758 G N -0.360 108.455 108.800 0.025 0.000 2.359 758 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.314 758 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.314 758 G C -1.759 173.140 174.900 -0.001 0.000 1.364 758 G CA -1.101 44.001 45.100 0.003 0.000 0.978 758 G HN -0.007 nan 8.290 nan 0.000 0.615 759 L N 0.713 121.933 121.223 -0.006 0.000 2.601 759 L HA 0.392 4.732 4.340 -0.000 0.000 0.277 759 L C 0.328 177.192 176.870 -0.011 0.000 1.219 759 L CA 0.443 55.280 54.840 -0.005 0.000 0.915 759 L CB 0.528 42.585 42.059 -0.003 0.000 1.160 759 L HN 0.436 nan 8.230 nan 0.000 0.494 760 V N 6.506 126.417 119.914 -0.006 0.000 2.398 760 V HA 0.371 4.491 4.120 -0.000 0.000 0.286 760 V C 0.139 176.234 176.094 0.002 0.000 1.026 760 V CA -0.725 61.571 62.300 -0.006 0.000 0.868 760 V CB 1.858 33.679 31.823 -0.002 0.000 0.982 760 V HN 0.522 nan 8.190 nan 0.000 0.443 761 V N 5.022 124.945 119.914 0.015 0.000 2.417 761 V HA 0.453 4.572 4.120 -0.000 0.000 0.291 761 V C -0.036 176.052 176.094 -0.009 0.000 1.024 761 V CA -0.834 61.471 62.300 0.009 0.000 0.861 761 V CB 1.762 33.602 31.823 0.028 0.000 0.985 761 V HN 0.849 nan 8.190 nan 0.000 0.436 762 K N 7.378 127.740 120.400 -0.063 0.000 2.293 762 K HA 0.481 4.801 4.320 -0.000 0.000 0.267 762 K C -2.585 173.892 176.600 -0.205 0.000 1.010 762 K CA -2.067 54.130 56.287 -0.150 0.000 0.875 762 K CB 1.889 34.317 32.500 -0.120 0.000 1.106 762 K HN 0.398 nan 8.250 nan 0.000 0.450 763 P HA -0.000 nan 4.420 nan 0.000 0.271 763 P C -0.817 176.341 177.300 -0.237 0.000 1.216 763 P CA -0.098 62.813 63.100 -0.315 0.000 0.771 763 P CB 0.982 32.357 31.700 -0.541 0.000 0.864 764 Q N 1.655 121.378 119.800 -0.128 0.000 2.399 764 Q HA 0.416 4.756 4.340 -0.000 0.000 0.307 764 Q C 0.955 176.917 176.000 -0.064 0.000 0.933 764 Q CA -0.054 55.695 55.803 -0.089 0.000 0.995 764 Q CB 0.179 28.885 28.738 -0.054 0.000 1.191 764 Q HN 0.831 nan 8.270 nan 0.000 0.426 765 G N 0.623 109.372 108.800 -0.084 0.000 2.340 765 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.282 765 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.282 765 G C 0.006 174.933 174.900 0.046 0.000 1.312 765 G CA -0.373 44.717 45.100 -0.017 0.000 0.942 765 G HN 0.144 nan 8.290 nan 0.000 0.495 766 N N 0.123 118.902 118.700 0.132 0.000 2.207 766 N HA 0.139 4.879 4.740 -0.000 0.000 0.182 766 N C 1.564 177.202 175.510 0.214 0.000 1.020 766 N CA 1.533 54.738 53.050 0.259 0.000 0.858 766 N CB -0.247 38.374 38.487 0.224 0.000 0.991 766 N HN 1.083 nan 8.380 nan 0.000 0.427 767 A N 0.859 123.751 122.820 0.120 0.000 2.325 767 A HA 0.493 4.813 4.320 -0.000 0.000 0.260 767 A C -0.051 177.584 177.584 0.086 0.000 1.133 767 A CA 0.044 52.133 52.037 0.086 0.000 0.801 767 A CB 0.240 19.271 19.000 0.052 0.000 1.092 767 A HN 0.437 nan 8.150 nan 0.000 0.504 768 L N -1.667 119.594 121.223 0.063 0.000 4.430 768 L HA 0.265 4.604 4.340 -0.000 0.000 0.247 768 L C -1.394 175.501 176.870 0.042 0.000 1.038 768 L CA -0.224 54.648 54.840 0.053 0.000 1.028 768 L CB 1.087 43.197 42.059 0.085 0.000 1.733 768 L HN 0.822 nan 8.230 nan 0.000 0.444 769 T N 5.318 119.889 114.554 0.029 0.000 2.881 769 T HA 0.671 5.021 4.350 -0.000 0.000 0.290 769 T C -0.645 174.067 174.700 0.020 0.000 1.000 769 T CA -0.329 61.784 62.100 0.023 0.000 0.978 769 T CB 1.662 70.539 68.868 0.016 0.000 0.997 769 T HN 0.347 nan 8.240 nan 0.000 0.443 770 I N 2.308 122.890 120.570 0.020 0.000 2.474 770 I HA 0.431 4.601 4.170 -0.000 0.000 0.294 770 I C -0.097 176.028 176.117 0.014 0.000 1.005 770 I CA -0.783 60.527 61.300 0.017 0.000 1.113 770 I CB 2.202 40.215 38.000 0.021 0.000 1.289 770 I HN 0.499 nan 8.210 nan 0.000 0.436 771 T N 6.685 121.246 114.554 0.012 0.000 2.893 771 T HA 0.487 4.837 4.350 -0.000 0.000 0.324 771 T C 0.241 174.948 174.700 0.010 0.000 1.082 771 T CA -0.510 61.596 62.100 0.011 0.000 0.983 771 T CB 0.368 69.242 68.868 0.009 0.000 1.005 771 T HN 0.270 nan 8.240 nan 0.000 0.475 772 L N 0.000 121.230 121.223 0.011 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