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 3iac_1_C DATA FIRST_RESID 3 DATA SEQUENCE TFXTEDFLLK NDIARTLYHK YAAPXPIYDF HCHLSPQEIA DDRRFDNLGQ DATA SEQUENCE IWLEGDHYKW RALRSAGVDE SLITGKETSD YEKYXAWANT VPKTLGNPLY DATA SEQUENCE HWTHLELRRP FGITGTLFGP DTAESIWTQC NEKLATPAFS ARGIXQQXNV DATA SEQUENCE RXVGTTDDPI DSLEYHRQIA ADDSIDIEVA PSWRPDKVFK IELDGFVDYL DATA SEQUENCE RKLEAAADVS ITRFDDLRQA LTRRLDHFAA CGCRASDHGI ETLRFAPVPD DATA SEQUENCE DAQLDAILGK RLAGETLSEL EIAQFTTAVL VWLGRQYAAR GWVXQLHIGA DATA SEQUENCE IRNNNTRXFR LLGPDTGFDS IGDNNISWAL SRLLDSXDVT NELPKTILYC DATA SEQUENCE LNPRDNEVLA TXIGNFQGPG IAGKVQFGSG WWFNDQKDGX LRQLEQLSQX DATA SEQUENCE GLLSQFVGXL TDSRSFLSYT RHEYFRRILC NLLGQWAQDG EIPDDEAXLS DATA SEQUENCE RXVQDICFNN AQRYFTIK 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.806 174.700 0.177 0.000 1.109 3 T CA 0.000 62.174 62.100 0.123 0.000 1.349 3 T CB 0.000 68.920 68.868 0.086 0.000 0.612 7 E N 0.456 120.702 120.200 0.077 0.000 2.347 7 E HA 0.001 4.352 4.350 0.001 0.000 0.196 7 E C 0.367 177.112 176.600 0.243 0.000 1.008 7 E CA 0.807 57.302 56.400 0.158 0.000 0.852 7 E CB -0.194 29.587 29.700 0.135 0.000 0.783 7 E HN 0.529 nan 8.360 nan 0.000 0.505 8 D N 0.081 120.588 120.400 0.178 0.000 2.460 8 D HA -0.008 4.632 4.640 0.001 0.000 0.229 8 D C -0.052 176.282 176.300 0.056 0.000 1.170 8 D CA -0.304 53.787 54.000 0.150 0.000 0.827 8 D CB -0.653 40.228 40.800 0.136 0.000 0.973 8 D HN 0.007 nan 8.370 nan 0.000 0.496 9 F N 1.465 121.348 119.950 -0.112 0.000 2.593 9 F HA -0.068 4.460 4.527 0.001 0.000 0.393 9 F C 1.342 177.023 175.800 -0.198 0.000 1.037 9 F CA 0.180 58.084 58.000 -0.161 0.000 1.195 9 F CB 0.151 39.039 39.000 -0.185 0.000 1.034 9 F HN 0.072 nan 8.300 nan 0.000 0.552 10 L N 3.933 124.773 121.223 -0.638 0.000 5.081 10 L HA -0.299 4.042 4.340 0.001 0.000 0.423 10 L C -0.262 176.387 176.870 -0.368 0.000 1.019 10 L CA 0.258 54.720 54.840 -0.630 0.000 1.223 10 L CB -1.829 39.700 42.059 -0.882 0.000 1.940 10 L HN 0.512 nan 8.230 nan 0.000 0.675 11 L N 1.021 122.088 121.223 -0.259 0.000 2.259 11 L HA 0.218 4.559 4.340 0.001 0.000 0.288 11 L C 1.159 177.970 176.870 -0.098 0.000 1.051 11 L CA -0.014 54.722 54.840 -0.173 0.000 0.824 11 L CB 0.865 42.840 42.059 -0.139 0.000 1.206 11 L HN 0.090 nan 8.230 nan 0.000 0.429 12 K N 2.447 122.789 120.400 -0.096 0.000 2.399 12 K HA 0.164 4.485 4.320 0.001 0.000 0.204 12 K C -0.470 176.112 176.600 -0.030 0.000 1.023 12 K CA -0.177 56.076 56.287 -0.057 0.000 1.127 12 K CB 0.121 32.581 32.500 -0.067 0.000 0.856 12 K HN 0.705 nan 8.250 nan 0.000 0.514 13 N N -1.751 116.936 118.700 -0.023 0.000 2.823 13 N HA 0.101 4.842 4.740 0.001 0.000 0.251 13 N C -0.447 175.073 175.510 0.017 0.000 1.392 13 N CA -0.691 52.359 53.050 -0.001 0.000 0.864 13 N CB 0.881 39.365 38.487 -0.005 0.000 1.481 13 N HN -0.341 nan 8.380 nan 0.000 0.508 14 D N 0.343 120.761 120.400 0.030 0.000 2.144 14 D HA -0.044 4.596 4.640 0.001 0.000 0.199 14 D C 1.507 177.842 176.300 0.057 0.000 0.984 14 D CA 1.223 55.252 54.000 0.048 0.000 0.834 14 D CB -0.040 40.786 40.800 0.044 0.000 0.955 14 D HN 0.585 nan 8.370 nan 0.000 0.465 15 I N 1.284 121.882 120.570 0.047 0.000 2.179 15 I HA -0.269 3.902 4.170 0.001 0.000 0.242 15 I C 2.555 178.706 176.117 0.056 0.000 1.088 15 I CA 1.059 62.392 61.300 0.055 0.000 1.357 15 I CB -0.288 37.739 38.000 0.045 0.000 1.051 15 I HN -0.078 nan 8.210 nan 0.000 0.409 16 A N 1.017 123.852 122.820 0.024 0.000 1.908 16 A HA -0.228 4.092 4.320 0.001 0.000 0.218 16 A C 2.410 180.023 177.584 0.048 0.000 1.181 16 A CA 1.646 53.685 52.037 0.004 0.000 0.627 16 A CB -0.623 18.344 19.000 -0.056 0.000 0.818 16 A HN 0.330 nan 8.150 nan 0.000 0.445 17 R N -1.093 119.452 120.500 0.074 0.000 2.083 17 R HA -0.104 4.236 4.340 0.001 0.000 0.237 17 R C 2.342 178.767 176.300 0.207 0.000 1.137 17 R CA 1.903 58.101 56.100 0.163 0.000 0.951 17 R CB -0.895 29.518 30.300 0.189 0.000 0.851 17 R HN 0.534 nan 8.270 nan 0.000 0.434 18 T N 1.749 116.397 114.554 0.156 0.000 2.674 18 T HA -0.085 4.265 4.350 0.001 0.000 0.265 18 T C 1.936 176.746 174.700 0.183 0.000 1.039 18 T CA 1.092 63.283 62.100 0.153 0.000 1.150 18 T CB -0.200 68.754 68.868 0.144 0.000 0.864 18 T HN 0.116 nan 8.240 nan 0.000 0.427 19 L N -0.470 120.870 121.223 0.195 0.000 2.042 19 L HA -0.149 4.192 4.340 0.001 0.000 0.210 19 L C 2.384 179.359 176.870 0.175 0.000 1.076 19 L CA 1.741 56.723 54.840 0.237 0.000 0.749 19 L CB -0.560 41.577 42.059 0.130 0.000 0.893 19 L HN 0.305 nan 8.230 nan 0.000 0.432 20 Y N -0.072 120.217 120.300 -0.019 0.000 2.130 20 Y HA -0.217 4.334 4.550 0.001 0.000 0.287 20 Y C 2.919 178.741 175.900 -0.130 0.000 1.124 20 Y CA 1.624 59.649 58.100 -0.124 0.000 1.118 20 Y CB -0.267 38.018 38.460 -0.292 0.000 0.994 20 Y HN 0.141 nan 8.280 nan 0.000 0.497 21 H N -0.058 119.018 119.070 0.010 0.000 2.423 21 H HA -0.077 4.479 4.556 0.001 0.000 0.297 21 H C 2.027 177.235 175.328 -0.200 0.000 1.075 21 H CA 1.672 57.662 56.048 -0.096 0.000 1.342 21 H CB -0.017 29.774 29.762 0.049 0.000 1.395 21 H HN 0.353 nan 8.280 nan 0.000 0.530 22 K N -0.415 119.910 120.400 -0.126 0.000 2.242 22 K HA -0.043 4.278 4.320 0.001 0.000 0.200 22 K C 0.936 177.170 176.600 -0.609 0.000 1.050 22 K CA 0.630 56.668 56.287 -0.415 0.000 0.981 22 K CB 0.449 32.598 32.500 -0.585 0.000 0.795 22 K HN 0.124 nan 8.250 nan 0.000 0.477 23 Y N -1.369 118.893 120.300 -0.064 0.000 2.664 23 Y HA 0.327 4.878 4.550 0.001 0.000 0.278 23 Y C 1.917 177.761 175.900 -0.093 0.000 1.130 23 Y CA 0.208 58.273 58.100 -0.058 0.000 1.260 23 Y CB -0.062 38.389 38.460 -0.016 0.000 1.369 23 Y HN 0.025 nan 8.280 nan 0.000 0.499 24 A N 0.588 123.398 122.820 -0.016 0.000 1.843 24 A HA 0.055 4.375 4.320 0.001 0.000 0.213 24 A C 2.341 179.803 177.584 -0.204 0.000 1.202 24 A CA 1.693 53.684 52.037 -0.077 0.000 0.607 24 A CB -1.263 17.709 19.000 -0.047 0.000 0.847 24 A HN 0.327 nan 8.150 nan 0.000 0.445 25 A N 0.007 122.509 122.820 -0.530 0.000 1.917 25 A HA 0.039 4.359 4.320 0.001 0.000 0.219 25 A C -0.423 177.051 177.584 -0.183 0.000 1.182 25 A CA 1.397 53.175 52.037 -0.432 0.000 0.633 25 A CB -1.864 16.780 19.000 -0.593 0.000 0.819 25 A HN 0.518 nan 8.150 nan 0.000 0.448 29 I N 0.698 121.218 120.570 -0.082 0.000 2.377 29 I HA 0.284 4.454 4.170 0.001 0.000 0.293 29 I C -0.886 175.372 176.117 0.235 0.000 0.987 29 I CA -0.771 60.520 61.300 -0.014 0.000 1.185 29 I CB 1.380 39.168 38.000 -0.353 0.000 1.341 29 I HN 0.326 nan 8.210 nan 0.000 0.455 30 Y N 5.914 126.320 120.300 0.175 0.000 2.842 30 Y HA 0.316 4.867 4.550 0.001 0.000 0.334 30 Y C -0.405 175.523 175.900 0.047 0.000 1.019 30 Y CA -1.850 56.311 58.100 0.101 0.000 1.258 30 Y CB 0.414 38.834 38.460 -0.066 0.000 1.106 30 Y HN 0.475 nan 8.280 nan 0.000 0.545 31 D N 5.411 125.877 120.400 0.111 0.000 2.551 31 D HA 0.032 4.672 4.640 0.001 0.000 0.223 31 D C 0.958 177.100 176.300 -0.263 0.000 1.144 31 D CA -0.176 53.781 54.000 -0.072 0.000 1.025 31 D CB -0.553 40.313 40.800 0.111 0.000 1.085 31 D HN 0.492 nan 8.370 nan 0.000 0.506 32 F N 0.658 120.252 119.950 -0.595 0.000 2.494 32 F HA 0.093 4.620 4.527 0.001 0.000 0.298 32 F C 0.435 176.014 175.800 -0.367 0.000 1.106 32 F CA 0.083 57.560 58.000 -0.873 0.000 1.452 32 F CB -0.586 37.361 39.000 -1.756 0.000 1.085 32 F HN 0.221 nan 8.300 nan 0.000 0.569 33 H N 0.473 119.248 119.070 -0.491 0.000 3.149 33 H HA 0.502 5.059 4.556 0.001 0.000 0.334 33 H C -0.972 174.134 175.328 -0.371 0.000 1.000 33 H CA -1.338 54.515 56.048 -0.324 0.000 1.415 33 H CB 1.191 30.837 29.762 -0.194 0.000 1.819 33 H HN 0.390 nan 8.280 nan 0.000 0.486 34 C N 3.235 122.053 119.300 -0.803 0.000 3.336 34 C HA 0.524 4.985 4.460 0.001 0.000 0.339 34 C C -0.371 174.098 174.990 -0.868 0.000 1.468 34 C CA -0.696 57.907 59.018 -0.691 0.000 1.287 34 C CB 1.745 29.253 27.740 -0.387 0.000 1.682 34 C HN 0.962 nan 8.230 nan 0.000 0.451 35 H N 0.374 119.189 119.070 -0.424 0.000 2.510 35 H HA 0.355 4.912 4.556 0.001 0.000 0.266 35 H C -0.080 175.077 175.328 -0.285 0.000 1.146 35 H CA -0.025 55.827 56.048 -0.328 0.000 0.993 35 H CB 0.271 29.837 29.762 -0.327 0.000 1.727 35 H HN 0.456 nan 8.280 nan 0.000 0.590 36 L N 1.350 122.423 121.223 -0.250 0.000 2.483 36 L HA 0.003 4.343 4.340 0.001 0.000 0.276 36 L C 1.130 177.916 176.870 -0.141 0.000 1.213 36 L CA 0.123 54.785 54.840 -0.296 0.000 0.843 36 L CB 0.587 42.426 42.059 -0.367 0.000 1.107 36 L HN 0.119 nan 8.230 nan 0.000 0.487 37 S N 2.948 118.594 115.700 -0.089 0.000 2.455 37 S HA 0.202 4.673 4.470 0.001 0.000 0.278 37 S C -1.484 173.088 174.600 -0.046 0.000 1.216 37 S CA -1.415 56.765 58.200 -0.033 0.000 1.055 37 S CB 0.870 64.069 63.200 -0.003 0.000 0.939 37 S HN 0.348 nan 8.310 nan 0.000 0.494 38 P HA -0.147 nan 4.420 nan 0.000 0.218 38 P C 1.361 178.491 177.300 -0.283 0.000 1.149 38 P CA 0.960 63.952 63.100 -0.179 0.000 0.817 38 P CB 0.069 31.623 31.700 -0.243 0.000 0.785 39 Q N 0.689 120.166 119.800 -0.538 0.000 2.119 39 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 39 Q C 1.868 177.613 176.000 -0.426 0.000 0.972 39 Q CA 1.725 56.928 55.803 -1.001 0.000 0.847 39 Q CB -1.336 26.632 28.738 -1.283 0.000 0.903 39 Q HN 0.243 nan 8.270 nan 0.000 0.433 40 E N 0.406 120.481 120.200 -0.209 0.000 2.110 40 E HA -0.105 4.246 4.350 0.001 0.000 0.193 40 E C 1.996 178.542 176.600 -0.091 0.000 0.988 40 E CA 1.314 57.657 56.400 -0.096 0.000 0.804 40 E CB -0.135 29.629 29.700 0.107 0.000 0.745 40 E HN 0.498 nan 8.360 nan 0.000 0.458 41 I N 0.906 121.469 120.570 -0.010 0.000 2.233 41 I HA -0.202 3.969 4.170 0.001 0.000 0.243 41 I C 2.572 178.645 176.117 -0.073 0.000 1.093 41 I CA 0.745 62.038 61.300 -0.011 0.000 1.380 41 I CB -0.296 37.732 38.000 0.047 0.000 1.067 41 I HN 0.057 nan 8.210 nan 0.000 0.413 42 A N 0.677 123.442 122.820 -0.092 0.000 1.858 42 A HA -0.224 4.096 4.320 0.001 0.000 0.216 42 A C 1.774 179.325 177.584 -0.055 0.000 1.190 42 A CA 2.064 54.075 52.037 -0.043 0.000 0.617 42 A CB -0.563 18.466 19.000 0.049 0.000 0.827 42 A HN 0.347 nan 8.150 nan 0.000 0.443 43 D N -0.567 119.770 120.400 -0.105 0.000 2.349 43 D HA 0.095 4.736 4.640 0.001 0.000 0.224 43 D C -0.142 176.081 176.300 -0.128 0.000 1.029 43 D CA 0.816 54.757 54.000 -0.099 0.000 0.879 43 D CB -0.241 40.487 40.800 -0.119 0.000 0.906 43 D HN 0.427 nan 8.370 nan 0.000 0.528 44 D N 1.341 121.652 120.400 -0.147 0.000 2.904 44 D HA -0.240 4.401 4.640 0.001 0.000 0.231 44 D C 0.004 176.160 176.300 -0.238 0.000 1.185 44 D CA 0.242 54.134 54.000 -0.180 0.000 0.783 44 D CB -0.836 39.886 40.800 -0.131 0.000 0.961 44 D HN 0.205 nan 8.370 nan 0.000 0.409 45 R N 0.994 121.297 120.500 -0.328 0.000 2.583 45 R HA 0.068 4.409 4.340 0.001 0.000 0.274 45 R C 0.182 176.153 176.300 -0.548 0.000 0.998 45 R CA 0.020 55.844 56.100 -0.460 0.000 1.081 45 R CB 0.454 30.391 30.300 -0.604 0.000 0.940 45 R HN 0.204 nan 8.270 nan 0.000 0.413 46 R N 4.075 124.298 120.500 -0.461 0.000 2.338 46 R HA 0.246 4.587 4.340 0.001 0.000 0.317 46 R C -1.375 174.680 176.300 -0.409 0.000 0.968 46 R CA -0.281 55.631 56.100 -0.313 0.000 0.849 46 R CB 0.619 30.820 30.300 -0.164 0.000 1.128 46 R HN 0.390 nan 8.270 nan 0.000 0.448 47 F N 2.820 122.744 119.950 -0.044 0.000 2.394 47 F HA 0.200 4.728 4.527 0.002 0.000 0.340 47 F C 1.155 176.924 175.800 -0.052 0.000 1.105 47 F CA -0.271 57.713 58.000 -0.027 0.000 1.124 47 F CB 1.366 40.367 39.000 0.002 0.000 1.145 47 F HN 0.603 nan 8.300 nan 0.000 0.505 48 D N 0.964 121.429 120.400 0.109 0.000 2.149 48 D HA -0.056 4.584 4.640 0.001 0.000 0.201 48 D C 0.175 176.434 176.300 -0.069 0.000 0.972 48 D CA 1.434 55.443 54.000 0.016 0.000 0.835 48 D CB -0.127 40.691 40.800 0.030 0.000 0.966 48 D HN 0.652 nan 8.370 nan 0.000 0.476 49 N N -1.925 116.732 118.700 -0.071 0.000 2.927 49 N HA 0.112 4.852 4.740 0.001 0.000 0.248 49 N C 0.087 175.423 175.510 -0.290 0.000 1.443 49 N CA -0.721 52.121 53.050 -0.347 0.000 0.870 49 N CB 1.087 39.268 38.487 -0.510 0.000 1.444 49 N HN -0.171 nan 8.380 nan 0.000 0.519 50 L N 0.624 121.513 121.223 -0.557 0.000 1.989 50 L HA 0.196 4.537 4.340 0.001 0.000 0.211 50 L C 2.105 179.035 176.870 0.100 0.000 1.071 50 L CA 2.690 57.331 54.840 -0.332 0.000 0.749 50 L CB -1.243 40.521 42.059 -0.491 0.000 0.890 50 L HN 0.915 nan 8.230 nan 0.000 0.431 51 G N -1.364 107.624 108.800 0.313 0.000 2.513 51 G HA2 -0.409 3.552 3.960 0.001 0.000 0.219 51 G HA3 -0.409 3.552 3.960 0.001 0.000 0.219 51 G C 1.505 176.624 174.900 0.365 0.000 1.160 51 G CA 1.042 46.480 45.100 0.563 0.000 0.767 51 G HN 0.572 nan 8.290 nan 0.000 0.571 52 Q N -0.282 119.674 119.800 0.261 0.000 1.975 52 Q HA -0.061 4.280 4.340 0.001 0.000 0.205 52 Q C 2.509 178.628 176.000 0.199 0.000 0.990 52 Q CA 1.557 57.505 55.803 0.241 0.000 0.845 52 Q CB -0.284 28.600 28.738 0.245 0.000 0.913 52 Q HN 0.527 nan 8.270 nan 0.000 0.420 53 I N -0.604 120.007 120.570 0.070 0.000 2.567 53 I HA -0.219 3.951 4.170 0.001 0.000 0.257 53 I C 1.362 177.479 176.117 0.000 0.000 1.184 53 I CA 0.951 62.104 61.300 -0.246 0.000 1.451 53 I CB 0.057 37.632 38.000 -0.708 0.000 1.089 53 I HN 0.466 nan 8.210 nan 0.000 0.441 54 W N 0.239 121.481 121.300 -0.096 0.000 2.777 54 W HA 0.160 4.821 4.660 0.000 0.000 0.260 54 W C 2.046 178.477 176.519 -0.147 0.000 1.194 54 W CA 0.289 57.573 57.345 -0.102 0.000 1.447 54 W CB -0.339 29.106 29.460 -0.026 0.000 1.009 54 W HN -0.084 nan 8.180 nan 0.000 0.613 55 L N 0.371 121.644 121.223 0.083 0.000 1.976 55 L HA -0.231 4.109 4.340 0.001 0.000 0.209 55 L C 2.412 179.181 176.870 -0.168 0.000 1.071 55 L CA 2.255 57.041 54.840 -0.091 0.000 0.746 55 L CB -1.045 41.098 42.059 0.141 0.000 0.890 55 L HN -0.017 nan 8.230 nan 0.000 0.432 56 E N -0.209 119.963 120.200 -0.047 0.000 2.058 56 E HA -0.149 4.202 4.350 0.001 0.000 0.194 56 E C 1.615 177.771 176.600 -0.742 0.000 0.997 56 E CA 1.029 57.217 56.400 -0.353 0.000 0.801 56 E CB -0.196 29.466 29.700 -0.064 0.000 0.746 56 E HN 0.436 nan 8.360 nan 0.000 0.450 57 G N 0.957 109.471 108.800 -0.477 0.000 2.698 57 G HA2 -0.383 3.577 3.960 0.001 0.000 0.346 57 G HA3 -0.383 3.577 3.960 0.001 0.000 0.346 57 G C 0.398 174.864 174.900 -0.723 0.000 1.287 57 G CA 0.879 45.680 45.100 -0.499 0.000 0.990 57 G HN 0.497 nan 8.290 nan 0.000 0.545 58 D N 0.830 120.786 120.400 -0.740 0.000 2.538 58 D HA 0.375 5.015 4.640 0.001 0.000 0.231 58 D C 0.612 176.224 176.300 -1.145 0.000 1.229 58 D CA 0.429 53.862 54.000 -0.946 0.000 0.828 58 D CB -0.070 40.392 40.800 -0.563 0.000 1.035 58 D HN 0.791 nan 8.370 nan 0.000 0.495 59 H N -2.437 116.139 119.070 -0.825 0.000 3.428 59 H HA -0.224 4.332 4.556 0.001 0.000 0.204 59 H C 0.741 175.789 175.328 -0.467 0.000 1.078 59 H CA 0.774 56.317 56.048 -0.841 0.000 1.183 59 H CB -2.150 27.250 29.762 -0.603 0.000 1.132 59 H HN 0.272 nan 8.280 nan 0.000 0.323 60 Y N 1.257 121.414 120.300 -0.237 0.000 2.200 60 Y HA -0.121 4.430 4.550 0.001 0.000 0.290 60 Y C 2.429 178.296 175.900 -0.054 0.000 1.137 60 Y CA 1.528 59.615 58.100 -0.021 0.000 1.163 60 Y CB -0.039 38.504 38.460 0.139 0.000 0.988 60 Y HN 0.187 nan 8.280 nan 0.000 0.518 61 K N -0.854 119.464 120.400 -0.137 0.000 2.057 61 K HA -0.210 4.111 4.320 0.001 0.000 0.207 61 K C 1.766 178.369 176.600 0.005 0.000 1.049 61 K CA 1.606 57.674 56.287 -0.365 0.000 0.931 61 K CB -0.421 31.462 32.500 -1.027 0.000 0.714 61 K HN 0.317 nan 8.250 nan 0.000 0.440 62 W N 1.504 122.723 121.300 -0.134 0.000 2.338 62 W HA -0.103 4.558 4.660 0.001 0.000 0.304 62 W C 2.224 178.719 176.519 -0.041 0.000 1.212 62 W CA 0.627 57.928 57.345 -0.074 0.000 1.264 62 W CB -0.944 28.472 29.460 -0.073 0.000 1.142 62 W HN 0.183 nan 8.180 nan 0.000 0.512 63 R N 0.731 121.347 120.500 0.193 0.000 2.075 63 R HA -0.084 4.256 4.340 0.001 0.000 0.232 63 R C 2.283 178.677 176.300 0.157 0.000 1.126 63 R CA 1.962 58.134 56.100 0.119 0.000 0.963 63 R CB -0.547 29.819 30.300 0.111 0.000 0.858 63 R HN -0.006 nan 8.270 nan 0.000 0.435 64 A N 1.154 124.100 122.820 0.209 0.000 1.898 64 A HA -0.102 4.218 4.320 0.001 0.000 0.216 64 A C 2.194 179.913 177.584 0.226 0.000 1.181 64 A CA 1.156 53.335 52.037 0.237 0.000 0.620 64 A CB -0.529 18.683 19.000 0.353 0.000 0.819 64 A HN 0.344 nan 8.150 nan 0.000 0.442 65 L N -0.991 120.386 121.223 0.257 0.000 2.012 65 L HA -0.231 4.109 4.340 0.001 0.000 0.210 65 L C 2.883 179.836 176.870 0.137 0.000 1.073 65 L CA 1.774 56.744 54.840 0.215 0.000 0.748 65 L CB -0.458 41.731 42.059 0.217 0.000 0.891 65 L HN 0.339 nan 8.230 nan 0.000 0.431 66 R N -0.716 119.859 120.500 0.124 0.000 2.081 66 R HA -0.104 4.236 4.340 0.001 0.000 0.235 66 R C 2.477 178.832 176.300 0.091 0.000 1.131 66 R CA 1.521 57.681 56.100 0.100 0.000 0.960 66 R CB -0.385 29.978 30.300 0.105 0.000 0.856 66 R HN 0.256 nan 8.270 nan 0.000 0.436 67 S N 0.812 116.570 115.700 0.097 0.000 2.382 67 S HA -0.131 4.339 4.470 0.001 0.000 0.228 67 S C 1.947 176.586 174.600 0.066 0.000 1.027 67 S CA 1.257 59.505 58.200 0.079 0.000 0.991 67 S CB -0.100 63.150 63.200 0.083 0.000 0.823 67 S HN 0.474 nan 8.310 nan 0.000 0.469 68 A N 0.324 123.189 122.820 0.075 0.000 2.209 68 A HA 0.434 4.755 4.320 0.001 0.000 0.212 68 A C 1.694 179.303 177.584 0.042 0.000 1.158 68 A CA 0.951 53.020 52.037 0.054 0.000 0.742 68 A CB -0.818 18.218 19.000 0.059 0.000 0.790 68 A HN 0.951 nan 8.150 nan 0.000 0.472 69 G N -1.676 107.154 108.800 0.049 0.000 2.141 69 G HA2 -0.186 3.775 3.960 0.001 0.000 0.242 69 G HA3 -0.186 3.775 3.960 0.001 0.000 0.242 69 G C 0.140 175.061 174.900 0.035 0.000 0.982 69 G CA 0.039 45.161 45.100 0.038 0.000 0.662 69 G HN 0.763 nan 8.290 nan 0.000 0.527 70 V N 0.900 120.841 119.914 0.045 0.000 2.637 70 V HA 0.317 4.438 4.120 0.001 0.000 0.296 70 V C 0.975 177.087 176.094 0.029 0.000 1.046 70 V CA 0.146 62.469 62.300 0.039 0.000 1.066 70 V CB 1.331 33.189 31.823 0.059 0.000 0.968 70 V HN 0.465 nan 8.190 nan 0.000 0.483 71 D N 2.801 123.210 120.400 0.015 0.000 2.455 71 D HA -0.013 4.628 4.640 0.001 0.000 0.241 71 D C 1.113 177.409 176.300 -0.007 0.000 1.138 71 D CA 0.056 54.059 54.000 0.006 0.000 0.877 71 D CB 0.913 41.713 40.800 -0.000 0.000 1.187 71 D HN 0.684 nan 8.370 nan 0.000 0.451 72 E N 1.620 121.812 120.200 -0.013 0.000 2.209 72 E HA -0.206 4.145 4.350 0.001 0.000 0.196 72 E C 1.735 178.291 176.600 -0.073 0.000 0.993 72 E CA 1.603 57.976 56.400 -0.045 0.000 0.819 72 E CB -0.178 29.504 29.700 -0.030 0.000 0.745 72 E HN 0.485 nan 8.360 nan 0.000 0.477 73 S N -0.426 115.246 115.700 -0.046 0.000 2.419 73 S HA -0.138 4.333 4.470 0.001 0.000 0.235 73 S C 1.775 176.351 174.600 -0.041 0.000 1.019 73 S CA 1.023 59.197 58.200 -0.043 0.000 0.982 73 S CB -0.355 62.831 63.200 -0.023 0.000 0.789 73 S HN 0.353 nan 8.310 nan 0.000 0.490 74 L N 0.080 121.284 121.223 -0.032 0.000 2.611 74 L HA 0.379 4.719 4.340 0.001 0.000 0.229 74 L C 1.555 178.409 176.870 -0.027 0.000 1.137 74 L CA 0.124 54.957 54.840 -0.012 0.000 0.901 74 L CB -0.183 41.880 42.059 0.006 0.000 1.098 74 L HN 0.367 nan 8.230 nan 0.000 0.456 75 I N -1.465 119.038 120.570 -0.111 0.000 3.393 75 I HA -0.031 4.139 4.170 0.001 0.000 0.250 75 I C 1.964 177.798 176.117 -0.472 0.000 1.122 75 I CA 0.987 62.134 61.300 -0.254 0.000 1.484 75 I CB 0.177 38.001 38.000 -0.293 0.000 1.468 75 I HN 0.137 nan 8.210 nan 0.000 0.461 76 T N -1.627 112.647 114.554 -0.466 0.000 3.003 76 T HA 0.265 4.616 4.350 0.001 0.000 0.261 76 T C 1.084 175.660 174.700 -0.208 0.000 1.003 76 T CA -0.065 61.752 62.100 -0.472 0.000 0.917 76 T CB -0.185 68.331 68.868 -0.586 0.000 1.084 76 T HN 0.202 nan 8.240 nan 0.000 0.522 77 G N 2.067 110.784 108.800 -0.137 0.000 2.305 77 G HA2 0.270 4.230 3.960 0.001 0.000 0.243 77 G HA3 0.270 4.230 3.960 0.001 0.000 0.243 77 G C 0.727 175.607 174.900 -0.034 0.000 1.288 77 G CA -0.569 44.489 45.100 -0.070 0.000 0.901 77 G HN 0.141 nan 8.290 nan 0.000 0.516 78 K N 1.638 122.026 120.400 -0.020 0.000 2.432 78 K HA -0.036 4.285 4.320 0.001 0.000 0.196 78 K C 2.137 178.746 176.600 0.015 0.000 1.038 78 K CA 0.962 57.252 56.287 0.005 0.000 0.986 78 K CB 0.157 32.660 32.500 0.005 0.000 0.782 78 K HN 0.899 nan 8.250 nan 0.000 0.485 79 E N 1.097 121.301 120.200 0.007 0.000 2.076 79 E HA -0.078 4.273 4.350 0.001 0.000 0.190 79 E C 0.535 177.149 176.600 0.024 0.000 0.979 79 E CA 0.746 57.153 56.400 0.012 0.000 0.807 79 E CB -0.542 29.160 29.700 0.002 0.000 0.761 79 E HN 0.136 nan 8.360 nan 0.000 0.454 80 T N 0.577 115.146 114.554 0.024 0.000 2.899 80 T HA 0.328 4.679 4.350 0.001 0.000 0.284 80 T C 0.458 175.198 174.700 0.067 0.000 1.004 80 T CA -0.423 61.700 62.100 0.039 0.000 1.043 80 T CB 1.672 70.557 68.868 0.029 0.000 1.013 80 T HN 0.217 nan 8.240 nan 0.000 0.518 81 S N 1.072 116.824 115.700 0.087 0.000 2.645 81 S HA 0.217 4.688 4.470 0.001 0.000 0.266 81 S C 0.517 175.221 174.600 0.173 0.000 1.258 81 S CA -0.638 57.639 58.200 0.129 0.000 0.990 81 S CB 0.555 63.840 63.200 0.140 0.000 0.967 81 S HN 0.689 nan 8.310 nan 0.000 0.556 82 D N -0.049 120.497 120.400 0.243 0.000 2.144 82 D HA -0.089 4.552 4.640 0.001 0.000 0.199 82 D C 1.462 177.984 176.300 0.371 0.000 0.984 82 D CA 1.422 55.625 54.000 0.338 0.000 0.834 82 D CB -0.461 40.590 40.800 0.418 0.000 0.955 82 D HN 0.711 nan 8.370 nan 0.000 0.465 83 Y N 1.833 122.190 120.300 0.094 0.000 2.200 83 Y HA -0.134 4.416 4.550 0.001 0.000 0.290 83 Y C 2.039 177.906 175.900 -0.055 0.000 1.137 83 Y CA 1.419 59.345 58.100 -0.290 0.000 1.163 83 Y CB -0.058 38.083 38.460 -0.531 0.000 0.988 83 Y HN -0.015 nan 8.280 nan 0.000 0.518 84 E N -0.032 120.165 120.200 -0.005 0.000 2.051 84 E HA -0.222 4.129 4.350 0.001 0.000 0.192 84 E C 2.124 178.714 176.600 -0.016 0.000 0.991 84 E CA 1.575 57.942 56.400 -0.056 0.000 0.799 84 E CB -0.146 29.564 29.700 0.017 0.000 0.748 84 E HN 0.428 nan 8.360 nan 0.000 0.449 85 K N 0.199 120.649 120.400 0.083 0.000 2.063 85 K HA -0.153 4.168 4.320 0.001 0.000 0.208 85 K C 1.251 177.979 176.600 0.214 0.000 1.048 85 K CA 0.748 57.117 56.287 0.137 0.000 0.928 85 K CB -0.336 32.268 32.500 0.173 0.000 0.713 85 K HN 0.133 nan 8.250 nan 0.000 0.442 89 W N 1.805 123.060 121.300 -0.075 0.000 2.381 89 W HA -0.022 4.639 4.660 0.001 0.000 0.301 89 W C 1.966 178.457 176.519 -0.047 0.000 1.205 89 W CA 2.072 59.391 57.345 -0.043 0.000 1.285 89 W CB -0.061 29.380 29.460 -0.031 0.000 1.133 89 W HN 0.474 nan 8.180 nan 0.000 0.521 90 A N 1.187 123.812 122.820 -0.325 0.000 1.933 90 A HA -0.260 4.061 4.320 0.001 0.000 0.218 90 A C 1.652 178.927 177.584 -0.515 0.000 1.175 90 A CA 1.857 53.479 52.037 -0.693 0.000 0.628 90 A CB -1.064 17.444 19.000 -0.821 0.000 0.814 90 A HN 0.370 nan 8.150 nan 0.000 0.444 91 N N -0.487 118.021 118.700 -0.321 0.000 2.396 91 N HA -0.066 4.675 4.740 0.001 0.000 0.180 91 N C 1.399 176.790 175.510 -0.198 0.000 1.028 91 N CA 1.715 54.631 53.050 -0.223 0.000 0.893 91 N CB -0.403 37.999 38.487 -0.141 0.000 0.967 91 N HN 0.505 nan 8.380 nan 0.000 0.440 92 T N 0.053 114.471 114.554 -0.227 0.000 3.031 92 T HA 0.084 4.435 4.350 0.001 0.000 0.254 92 T C 2.162 176.671 174.700 -0.318 0.000 1.060 92 T CA 0.063 62.050 62.100 -0.189 0.000 1.135 92 T CB 0.078 68.931 68.868 -0.024 0.000 0.896 92 T HN -0.091 nan 8.240 nan 0.000 0.472 93 V N 2.573 122.136 119.914 -0.585 0.000 2.324 93 V HA -0.124 3.997 4.120 0.001 0.000 0.250 93 V C -0.682 175.376 176.094 -0.060 0.000 1.060 93 V CA 1.748 63.762 62.300 -0.476 0.000 1.042 93 V CB -1.462 30.071 31.823 -0.483 0.000 0.650 93 V HN 0.352 nan 8.190 nan 0.000 0.450 94 P HA -0.104 nan 4.420 nan 0.000 0.228 94 P C 1.134 178.401 177.300 -0.055 0.000 1.151 94 P CA 1.186 64.289 63.100 0.005 0.000 0.770 94 P CB -0.110 31.554 31.700 -0.061 0.000 0.786 95 K N -1.334 119.027 120.400 -0.065 0.000 2.404 95 K HA 0.087 4.408 4.320 0.001 0.000 0.194 95 K C 1.068 177.638 176.600 -0.049 0.000 1.023 95 K CA 0.767 57.018 56.287 -0.061 0.000 1.094 95 K CB -0.164 32.309 32.500 -0.044 0.000 0.841 95 K HN 0.193 nan 8.250 nan 0.000 0.523 96 T N -1.500 113.039 114.554 -0.026 0.000 3.186 96 T HA 0.261 4.611 4.350 0.001 0.000 0.257 96 T C 0.456 175.104 174.700 -0.087 0.000 1.029 96 T CA -0.466 61.635 62.100 0.002 0.000 0.916 96 T CB -0.246 68.676 68.868 0.089 0.000 1.041 96 T HN -0.045 nan 8.240 nan 0.000 0.562 97 L N 1.537 122.609 121.223 -0.252 0.000 2.525 97 L HA 0.383 4.724 4.340 0.001 0.000 0.278 97 L C 1.721 178.456 176.870 -0.225 0.000 1.218 97 L CA 1.235 55.831 54.840 -0.406 0.000 0.878 97 L CB -0.009 41.785 42.059 -0.442 0.000 1.127 97 L HN 0.611 nan 8.230 nan 0.000 0.492 98 G N 2.100 110.770 108.800 -0.216 0.000 2.268 98 G HA2 -0.281 3.679 3.960 0.001 0.000 0.240 98 G HA3 -0.281 3.679 3.960 0.001 0.000 0.240 98 G C 0.319 175.134 174.900 -0.142 0.000 1.010 98 G CA 0.016 45.036 45.100 -0.134 0.000 0.618 98 G HN 0.666 nan 8.290 nan 0.000 0.516 99 N N 1.443 120.047 118.700 -0.161 0.000 2.479 99 N HA 0.377 5.118 4.740 0.001 0.000 0.285 99 N C -0.797 174.500 175.510 -0.355 0.000 1.075 99 N CA -1.321 51.626 53.050 -0.171 0.000 0.967 99 N CB 2.170 40.611 38.487 -0.077 0.000 1.137 99 N HN 0.041 nan 8.380 nan 0.000 0.472 100 P HA -0.125 nan 4.420 nan 0.000 0.220 100 P C 1.624 178.125 177.300 -1.332 0.000 1.144 100 P CA 0.864 63.389 63.100 -0.959 0.000 0.800 100 P CB 0.391 31.431 31.700 -1.099 0.000 0.772 101 L N -2.117 118.601 121.223 -0.840 0.000 2.129 101 L HA -0.204 4.136 4.340 0.001 0.000 0.212 101 L C 2.728 179.576 176.870 -0.038 0.000 1.087 101 L CA 1.539 56.221 54.840 -0.264 0.000 0.757 101 L CB -0.972 41.178 42.059 0.150 0.000 0.896 101 L HN -0.061 nan 8.230 nan 0.000 0.434 102 Y N -0.359 119.833 120.300 -0.180 0.000 2.293 102 Y HA -0.236 4.315 4.550 0.001 0.000 0.291 102 Y C 2.521 178.578 175.900 0.263 0.000 1.137 102 Y CA 1.671 59.795 58.100 0.040 0.000 1.202 102 Y CB -0.116 38.308 38.460 -0.059 0.000 0.990 102 Y HN 0.250 nan 8.280 nan 0.000 0.537 103 H N -2.732 116.414 119.070 0.127 0.000 2.343 103 H HA -0.191 4.366 4.556 0.001 0.000 0.303 103 H C 1.761 177.109 175.328 0.034 0.000 1.068 103 H CA 0.963 57.056 56.048 0.075 0.000 1.359 103 H CB -0.272 29.467 29.762 -0.039 0.000 1.402 103 H HN 0.310 nan 8.280 nan 0.000 0.515 104 W N 1.137 122.481 121.300 0.072 0.000 2.333 104 W HA -0.155 4.505 4.660 0.001 0.000 0.316 104 W C 2.409 178.988 176.519 0.101 0.000 1.215 104 W CA 1.112 58.464 57.345 0.011 0.000 1.278 104 W CB -1.399 28.028 29.460 -0.055 0.000 1.154 104 W HN 0.132 nan 8.180 nan 0.000 0.486 105 T N 0.045 114.788 114.554 0.314 0.000 2.624 105 T HA -0.279 4.072 4.350 0.001 0.000 0.268 105 T C 1.368 176.085 174.700 0.028 0.000 1.041 105 T CA 2.501 64.722 62.100 0.201 0.000 1.159 105 T CB -0.657 68.131 68.868 -0.133 0.000 0.863 105 T HN 0.224 nan 8.240 nan 0.000 0.434 106 H N 0.205 119.348 119.070 0.121 0.000 2.428 106 H HA 0.219 4.776 4.556 0.001 0.000 0.296 106 H C 2.195 177.548 175.328 0.042 0.000 1.062 106 H CA 0.687 56.779 56.048 0.073 0.000 1.350 106 H CB -0.312 29.497 29.762 0.079 0.000 1.403 106 H HN 0.195 nan 8.280 nan 0.000 0.533 107 L N 0.422 121.734 121.223 0.148 0.000 2.017 107 L HA -0.187 4.153 4.340 0.001 0.000 0.208 107 L C 2.151 179.104 176.870 0.139 0.000 1.073 107 L CA 1.543 56.450 54.840 0.112 0.000 0.745 107 L CB -0.271 41.883 42.059 0.158 0.000 0.894 107 L HN 0.360 nan 8.230 nan 0.000 0.432 108 E N -0.056 120.254 120.200 0.182 0.000 2.110 108 E HA -0.205 4.145 4.350 0.001 0.000 0.193 108 E C 2.319 179.025 176.600 0.177 0.000 0.988 108 E CA 0.968 57.473 56.400 0.175 0.000 0.804 108 E CB -0.107 29.757 29.700 0.275 0.000 0.745 108 E HN 0.448 nan 8.360 nan 0.000 0.458 109 L N 0.414 121.717 121.223 0.133 0.000 2.141 109 L HA -0.137 4.203 4.340 0.001 0.000 0.209 109 L C 2.680 179.655 176.870 0.174 0.000 1.094 109 L CA 0.927 55.844 54.840 0.129 0.000 0.763 109 L CB -0.250 41.824 42.059 0.025 0.000 0.908 109 L HN 0.068 nan 8.230 nan 0.000 0.437 110 R N 0.365 120.942 120.500 0.128 0.000 2.062 110 R HA 0.008 4.348 4.340 0.001 0.000 0.229 110 R C 0.347 176.703 176.300 0.093 0.000 1.128 110 R CA 0.858 57.020 56.100 0.103 0.000 0.960 110 R CB 0.341 30.681 30.300 0.067 0.000 0.855 110 R HN 0.181 nan 8.270 nan 0.000 0.432 111 R N -0.046 120.498 120.500 0.074 0.000 2.502 111 R HA 0.242 4.582 4.340 0.001 0.000 0.300 111 R C -2.209 174.061 176.300 -0.051 0.000 0.984 111 R CA -1.701 54.410 56.100 0.017 0.000 0.882 111 R CB 2.343 32.668 30.300 0.042 0.000 1.180 111 R HN 0.160 nan 8.270 nan 0.000 0.444 112 P HA 0.037 nan 4.420 nan 0.000 0.261 112 P C 0.338 177.588 177.300 -0.083 0.000 1.268 112 P CA 0.335 63.283 63.100 -0.254 0.000 0.833 112 P CB 0.306 31.703 31.700 -0.504 0.000 1.231 113 F N 0.906 120.960 119.950 0.173 0.000 2.604 113 F HA 0.241 4.769 4.527 0.001 0.000 0.298 113 F C 2.025 177.870 175.800 0.075 0.000 1.131 113 F CA 1.198 59.276 58.000 0.130 0.000 1.457 113 F CB -1.171 37.801 39.000 -0.046 0.000 1.095 113 F HN 0.078 nan 8.300 nan 0.000 0.574 114 G N 1.002 109.924 108.800 0.204 0.000 2.153 114 G HA2 -0.327 3.634 3.960 0.001 0.000 0.252 114 G HA3 -0.327 3.634 3.960 0.001 0.000 0.252 114 G C 0.257 175.227 174.900 0.116 0.000 0.994 114 G CA 0.024 45.206 45.100 0.137 0.000 0.698 114 G HN 0.345 nan 8.290 nan 0.000 0.521 115 I N 2.077 122.726 120.570 0.131 0.000 2.325 115 I HA 0.507 4.678 4.170 0.001 0.000 0.291 115 I C 0.858 177.040 176.117 0.108 0.000 1.019 115 I CA 0.309 61.673 61.300 0.107 0.000 1.302 115 I CB 1.295 39.354 38.000 0.097 0.000 1.401 115 I HN 0.312 nan 8.210 nan 0.000 0.485 116 T N 0.850 115.462 114.554 0.096 0.000 2.883 116 T HA 0.613 4.964 4.350 0.001 0.000 0.296 116 T C 0.589 175.345 174.700 0.094 0.000 1.117 116 T CA -0.226 61.926 62.100 0.088 0.000 1.006 116 T CB 1.780 70.683 68.868 0.059 0.000 1.191 116 T HN 0.919 nan 8.240 nan 0.000 0.508 117 G N 0.953 109.808 108.800 0.091 0.000 2.225 117 G HA2 -0.028 3.933 3.960 0.001 0.000 0.267 117 G HA3 -0.028 3.933 3.960 0.001 0.000 0.267 117 G C 0.151 175.122 174.900 0.119 0.000 1.024 117 G CA 0.776 45.933 45.100 0.096 0.000 0.784 117 G HN 2.089 nan 8.290 nan 0.000 0.507 118 T N -2.376 112.275 114.554 0.161 0.000 2.993 118 T HA 0.658 5.009 4.350 0.001 0.000 0.312 118 T C -0.314 174.542 174.700 0.260 0.000 1.115 118 T CA -1.008 61.197 62.100 0.174 0.000 1.027 118 T CB 1.972 70.932 68.868 0.153 0.000 1.116 118 T HN 0.602 nan 8.240 nan 0.000 0.464 119 L N 3.364 124.722 121.223 0.225 0.000 2.305 119 L HA 0.495 4.836 4.340 0.001 0.000 0.281 119 L C 0.001 177.073 176.870 0.336 0.000 1.085 119 L CA -1.070 53.956 54.840 0.310 0.000 0.813 119 L CB 0.612 42.771 42.059 0.167 0.000 1.157 119 L HN 0.691 nan 8.230 nan 0.000 0.436 120 F N 2.869 122.996 119.950 0.295 0.000 2.506 120 F HA 0.550 5.077 4.527 0.001 0.000 0.371 120 F C 0.623 176.399 175.800 -0.040 0.000 1.078 120 F CA 0.181 58.201 58.000 0.033 0.000 1.195 120 F CB 0.464 39.381 39.000 -0.139 0.000 1.099 120 F HN 0.434 nan 8.300 nan 0.000 0.548 121 G N 5.517 113.940 108.800 -0.628 0.000 2.548 121 G HA2 0.305 4.265 3.960 0.001 0.000 0.301 121 G HA3 0.305 4.265 3.960 0.001 0.000 0.301 121 G C -2.726 171.863 174.900 -0.518 0.000 1.349 121 G CA -0.875 43.899 45.100 -0.544 0.000 0.792 121 G HN 0.232 nan 8.290 nan 0.000 0.481 122 P HA -0.052 nan 4.420 nan 0.000 0.216 122 P C 1.304 178.504 177.300 -0.167 0.000 1.153 122 P CA 1.813 64.757 63.100 -0.259 0.000 0.858 122 P CB 0.096 31.685 31.700 -0.184 0.000 0.789 123 D N -1.426 118.898 120.400 -0.127 0.000 2.348 123 D HA -0.084 4.557 4.640 0.001 0.000 0.216 123 D C 1.150 177.429 176.300 -0.035 0.000 0.970 123 D CA 1.592 55.554 54.000 -0.064 0.000 0.889 123 D CB -1.115 39.659 40.800 -0.044 0.000 0.912 123 D HN 0.268 nan 8.370 nan 0.000 0.524 124 T N -4.580 109.937 114.554 -0.061 0.000 3.004 124 T HA 0.564 4.914 4.350 0.001 0.000 0.266 124 T C 1.822 176.561 174.700 0.065 0.000 0.986 124 T CA 0.244 62.352 62.100 0.015 0.000 0.902 124 T CB 0.300 69.196 68.868 0.047 0.000 1.118 124 T HN 0.114 nan 8.240 nan 0.000 0.522 125 A N 2.349 125.147 122.820 -0.036 0.000 1.902 125 A HA -0.072 4.248 4.320 0.001 0.000 0.217 125 A C 2.283 180.137 177.584 0.450 0.000 1.181 125 A CA 1.807 53.920 52.037 0.127 0.000 0.623 125 A CB -0.743 18.117 19.000 -0.233 0.000 0.818 125 A HN 0.644 nan 8.150 nan 0.000 0.443 126 E N -0.358 120.021 120.200 0.299 0.000 2.051 126 E HA -0.185 4.166 4.350 0.001 0.000 0.192 126 E C 2.216 178.999 176.600 0.306 0.000 0.991 126 E CA 1.382 57.979 56.400 0.329 0.000 0.799 126 E CB -0.201 29.620 29.700 0.202 0.000 0.748 126 E HN 0.558 nan 8.360 nan 0.000 0.449 127 S N 0.080 115.908 115.700 0.214 0.000 2.356 127 S HA -0.146 4.325 4.470 0.001 0.000 0.223 127 S C 2.030 176.735 174.600 0.176 0.000 1.032 127 S CA 1.287 59.584 58.200 0.161 0.000 1.005 127 S CB -0.339 62.930 63.200 0.115 0.000 0.867 127 S HN 0.362 nan 8.310 nan 0.000 0.449 128 I N 0.895 121.609 120.570 0.241 0.000 2.226 128 I HA -0.181 3.989 4.170 0.001 0.000 0.245 128 I C 2.384 178.590 176.117 0.150 0.000 1.100 128 I CA 1.418 62.842 61.300 0.208 0.000 1.374 128 I CB -0.464 37.748 38.000 0.354 0.000 1.057 128 I HN 0.585 nan 8.210 nan 0.000 0.413 129 W N 2.078 123.422 121.300 0.073 0.000 2.335 129 W HA -0.242 4.418 4.660 0.000 0.000 0.311 129 W C 2.294 178.719 176.519 -0.156 0.000 1.213 129 W CA 2.184 59.442 57.345 -0.145 0.000 1.274 129 W CB -0.580 28.816 29.460 -0.107 0.000 1.148 129 W HN 0.091 nan 8.180 nan 0.000 0.498 130 T N 1.538 116.166 114.554 0.124 0.000 2.708 130 T HA -0.263 4.087 4.350 0.001 0.000 0.266 130 T C 1.825 176.444 174.700 -0.136 0.000 1.037 130 T CA 2.150 64.235 62.100 -0.025 0.000 1.146 130 T CB -0.456 68.455 68.868 0.072 0.000 0.865 130 T HN 0.288 nan 8.240 nan 0.000 0.435 131 Q N -0.004 119.738 119.800 -0.097 0.000 2.020 131 Q HA -0.105 4.236 4.340 0.001 0.000 0.202 131 Q C 2.765 178.620 176.000 -0.242 0.000 0.982 131 Q CA 1.526 57.252 55.803 -0.129 0.000 0.838 131 Q CB -0.521 28.172 28.738 -0.074 0.000 0.899 131 Q HN 0.507 nan 8.270 nan 0.000 0.423 132 C N 1.074 120.158 119.300 -0.360 0.000 2.429 132 C HA -0.091 4.369 4.460 0.001 0.000 0.277 132 C C 2.303 176.997 174.990 -0.493 0.000 1.262 132 C CA 0.571 59.234 59.018 -0.591 0.000 1.733 132 C CB -1.156 25.969 27.740 -1.024 0.000 2.010 132 C HN 0.526 nan 8.230 nan 0.000 0.483 133 N N 0.990 119.382 118.700 -0.512 0.000 2.149 133 N HA -0.122 4.618 4.740 0.001 0.000 0.188 133 N C 1.612 176.942 175.510 -0.301 0.000 1.019 133 N CA 1.240 54.010 53.050 -0.466 0.000 0.857 133 N CB -0.506 37.614 38.487 -0.611 0.000 0.997 133 N HN 0.644 nan 8.380 nan 0.000 0.426 134 E N 0.745 120.789 120.200 -0.260 0.000 2.077 134 E HA -0.113 4.238 4.350 0.001 0.000 0.193 134 E C 1.766 178.231 176.600 -0.224 0.000 0.989 134 E CA 0.916 57.200 56.400 -0.193 0.000 0.800 134 E CB -0.003 29.607 29.700 -0.151 0.000 0.746 134 E HN 0.382 nan 8.360 nan 0.000 0.452 135 K N 0.675 120.873 120.400 -0.337 0.000 2.025 135 K HA -0.081 4.240 4.320 0.001 0.000 0.207 135 K C 2.164 178.487 176.600 -0.461 0.000 1.049 135 K CA 0.850 56.773 56.287 -0.607 0.000 0.933 135 K CB -0.121 31.768 32.500 -1.018 0.000 0.714 135 K HN 0.085 nan 8.250 nan 0.000 0.438 136 L N 0.540 121.621 121.223 -0.236 0.000 2.265 136 L HA -0.158 4.182 4.340 0.001 0.000 0.215 136 L C 2.282 179.156 176.870 0.006 0.000 1.117 136 L CA 0.658 55.497 54.840 -0.002 0.000 0.782 136 L CB -0.436 41.625 42.059 0.005 0.000 0.914 136 L HN 0.216 nan 8.230 nan 0.000 0.441 137 A N -0.644 122.137 122.820 -0.066 0.000 2.167 137 A HA -0.020 4.301 4.320 0.001 0.000 0.214 137 A C 1.301 178.878 177.584 -0.012 0.000 1.151 137 A CA 0.995 53.005 52.037 -0.045 0.000 0.735 137 A CB -0.636 18.321 19.000 -0.072 0.000 0.802 137 A HN 0.437 nan 8.150 nan 0.000 0.467 138 T N -4.424 110.141 114.554 0.019 0.000 2.934 138 T HA 0.477 4.828 4.350 0.001 0.000 0.283 138 T C -1.873 172.887 174.700 0.100 0.000 1.005 138 T CA -1.762 60.375 62.100 0.061 0.000 1.041 138 T CB 1.432 70.355 68.868 0.092 0.000 1.042 138 T HN -0.075 nan 8.240 nan 0.000 0.505 139 P HA -0.026 nan 4.420 nan 0.000 0.216 139 P C 1.617 178.928 177.300 0.019 0.000 1.150 139 P CA 1.358 64.471 63.100 0.021 0.000 0.837 139 P CB -0.296 31.402 31.700 -0.003 0.000 0.786 140 A N -1.771 121.082 122.820 0.054 0.000 2.070 140 A HA -0.125 4.196 4.320 0.001 0.000 0.220 140 A C 1.284 178.739 177.584 -0.216 0.000 1.159 140 A CA 1.259 53.260 52.037 -0.060 0.000 0.656 140 A CB -1.444 17.542 19.000 -0.023 0.000 0.800 140 A HN 0.161 nan 8.150 nan 0.000 0.453 141 F N 0.385 120.298 119.950 -0.060 0.000 2.684 141 F HA 0.190 4.718 4.527 0.001 0.000 0.298 141 F C 1.325 177.119 175.800 -0.010 0.000 1.120 141 F CA -0.033 57.933 58.000 -0.058 0.000 1.332 141 F CB 0.001 38.984 39.000 -0.029 0.000 0.986 141 F HN 0.172 nan 8.300 nan 0.000 0.524 142 S N -0.176 115.557 115.700 0.055 0.000 2.661 142 S HA 0.593 5.064 4.470 0.001 0.000 0.265 142 S C 1.672 176.211 174.600 -0.102 0.000 1.225 142 S CA -0.199 57.995 58.200 -0.011 0.000 0.986 142 S CB 1.249 64.397 63.200 -0.086 0.000 1.008 142 S HN 0.169 nan 8.310 nan 0.000 0.565 143 A N 1.220 123.882 122.820 -0.264 0.000 1.892 143 A HA -0.151 4.169 4.320 0.001 0.000 0.218 143 A C 2.389 179.736 177.584 -0.395 0.000 1.188 143 A CA 1.712 53.347 52.037 -0.669 0.000 0.631 143 A CB -0.930 17.411 19.000 -1.099 0.000 0.822 143 A HN 0.887 nan 8.150 nan 0.000 0.447 144 R N -1.132 119.223 120.500 -0.241 0.000 2.092 144 R HA -0.053 4.287 4.340 0.001 0.000 0.231 144 R C 2.439 178.660 176.300 -0.133 0.000 1.119 144 R CA 0.958 56.976 56.100 -0.136 0.000 0.970 144 R CB -0.649 29.584 30.300 -0.111 0.000 0.864 144 R HN 0.539 nan 8.270 nan 0.000 0.440 145 G N 1.883 110.594 108.800 -0.149 0.000 2.440 145 G HA2 -0.174 3.787 3.960 0.001 0.000 0.218 145 G HA3 -0.174 3.787 3.960 0.001 0.000 0.218 145 G C 0.958 175.713 174.900 -0.242 0.000 1.154 145 G CA 0.538 45.531 45.100 -0.179 0.000 0.767 145 G HN 0.084 nan 8.290 nan 0.000 0.552 152 V N 1.779 121.503 119.914 -0.316 0.000 2.432 152 V HA 0.503 4.623 4.120 0.001 0.000 0.271 152 V C 0.848 176.841 176.094 -0.170 0.000 1.046 152 V CA -0.295 61.810 62.300 -0.325 0.000 0.945 152 V CB 0.945 32.434 31.823 -0.556 0.000 0.992 152 V HN 0.166 nan 8.190 nan 0.000 0.471 156 G N 1.694 110.505 108.800 0.019 0.000 2.533 156 G HA2 0.673 4.634 3.960 0.001 0.000 0.310 156 G HA3 0.673 4.634 3.960 0.001 0.000 0.310 156 G C -0.045 174.815 174.900 -0.067 0.000 1.266 156 G CA 0.103 45.203 45.100 -0.002 0.000 0.967 156 G HN 1.522 nan 8.290 nan 0.000 0.493 157 T N -0.605 113.946 114.554 -0.005 0.000 2.788 157 T HA 0.594 4.944 4.350 0.001 0.000 0.280 157 T C 0.196 174.852 174.700 -0.074 0.000 0.984 157 T CA -0.338 61.731 62.100 -0.051 0.000 0.972 157 T CB 1.545 70.482 68.868 0.115 0.000 1.039 157 T HN 0.215 nan 8.240 nan 0.000 0.530 158 T N 2.042 116.517 114.554 -0.133 0.000 2.833 158 T HA 0.534 4.885 4.350 0.001 0.000 0.297 158 T C -1.238 173.500 174.700 0.063 0.000 1.015 158 T CA -0.635 61.420 62.100 -0.074 0.000 0.963 158 T CB 0.541 69.233 68.868 -0.293 0.000 0.955 158 T HN 0.700 nan 8.240 nan 0.000 0.449 159 D N 1.268 121.765 120.400 0.161 0.000 2.490 159 D HA 0.378 5.018 4.640 0.001 0.000 0.232 159 D C -0.776 175.673 176.300 0.248 0.000 1.053 159 D CA -0.780 53.359 54.000 0.232 0.000 0.914 159 D CB 1.347 42.300 40.800 0.257 0.000 1.431 159 D HN 0.310 nan 8.370 nan 0.000 0.483 160 D N 0.336 120.871 120.400 0.226 0.000 2.210 160 D HA 0.158 4.799 4.640 0.001 0.000 0.249 160 D C -1.680 174.733 176.300 0.188 0.000 1.062 160 D CA -2.268 51.795 54.000 0.105 0.000 0.891 160 D CB 1.899 42.775 40.800 0.125 0.000 1.186 160 D HN -0.056 nan 8.370 nan 0.000 0.432 161 P HA -0.150 nan 4.420 nan 0.000 0.217 161 P C 1.405 178.869 177.300 0.273 0.000 1.151 161 P CA 1.340 64.305 63.100 -0.225 0.000 0.849 161 P CB -0.118 31.237 31.700 -0.575 0.000 0.787 162 I N -4.881 115.794 120.570 0.175 0.000 3.291 162 I HA 0.059 4.230 4.170 0.001 0.000 0.279 162 I C -0.195 176.022 176.117 0.167 0.000 1.294 162 I CA 0.361 61.732 61.300 0.118 0.000 1.428 162 I CB -0.658 37.324 38.000 -0.031 0.000 1.070 162 I HN -0.231 nan 8.210 nan 0.000 0.478 163 D N 2.189 122.746 120.400 0.262 0.000 2.399 163 D HA 0.013 4.654 4.640 0.001 0.000 0.241 163 D C 1.595 178.005 176.300 0.184 0.000 1.133 163 D CA 0.624 54.748 54.000 0.208 0.000 0.890 163 D CB 1.540 42.473 40.800 0.222 0.000 1.201 163 D HN 0.296 nan 8.370 nan 0.000 0.432 164 S N 1.400 117.169 115.700 0.115 0.000 2.414 164 S HA -0.077 4.393 4.470 0.001 0.000 0.227 164 S C 1.412 176.132 174.600 0.200 0.000 1.022 164 S CA 0.123 58.388 58.200 0.108 0.000 0.958 164 S CB -0.298 62.914 63.200 0.020 0.000 0.797 164 S HN 0.571 nan 8.310 nan 0.000 0.493 165 L N 0.960 122.242 121.223 0.099 0.000 4.089 165 L HA -0.252 4.088 4.340 0.001 0.000 0.408 165 L C 1.618 178.547 176.870 0.098 0.000 1.184 165 L CA 0.866 55.749 54.840 0.072 0.000 0.947 165 L CB -2.404 39.485 42.059 -0.283 0.000 2.066 165 L HN 0.631 nan 8.230 nan 0.000 0.851 166 E N -0.467 119.718 120.200 -0.025 0.000 2.153 166 E HA -0.225 4.126 4.350 0.001 0.000 0.194 166 E C 1.531 178.016 176.600 -0.191 0.000 0.988 166 E CA 1.873 58.174 56.400 -0.165 0.000 0.811 166 E CB -0.263 29.240 29.700 -0.327 0.000 0.746 166 E HN 0.700 nan 8.360 nan 0.000 0.466 167 Y N 0.723 121.051 120.300 0.048 0.000 2.395 167 Y HA -0.011 4.539 4.550 0.000 0.000 0.293 167 Y C 2.016 177.861 175.900 -0.091 0.000 1.123 167 Y CA 1.190 59.267 58.100 -0.039 0.000 1.227 167 Y CB -0.411 37.997 38.460 -0.087 0.000 1.012 167 Y HN 0.166 nan 8.280 nan 0.000 0.552 168 H N -0.591 118.525 119.070 0.076 0.000 2.326 168 H HA -0.027 4.529 4.556 0.001 0.000 0.301 168 H C 2.124 177.445 175.328 -0.012 0.000 1.081 168 H CA 1.559 57.614 56.048 0.012 0.000 1.334 168 H CB -0.053 29.677 29.762 -0.054 0.000 1.385 168 H HN 0.117 nan 8.280 nan 0.000 0.504 169 R N 0.367 120.924 120.500 0.094 0.000 2.120 169 R HA -0.159 4.182 4.340 0.001 0.000 0.234 169 R C 2.247 178.560 176.300 0.022 0.000 1.123 169 R CA 1.330 57.449 56.100 0.032 0.000 0.975 169 R CB -0.116 30.189 30.300 0.007 0.000 0.866 169 R HN 0.480 nan 8.270 nan 0.000 0.446 170 Q N 1.090 120.906 119.800 0.026 0.000 2.049 170 Q HA -0.111 4.230 4.340 0.001 0.000 0.198 170 Q C 2.067 178.083 176.000 0.025 0.000 0.971 170 Q CA 1.213 57.033 55.803 0.028 0.000 0.833 170 Q CB 0.055 28.826 28.738 0.056 0.000 0.896 170 Q HN 0.327 nan 8.270 nan 0.000 0.434 171 I N 0.814 121.399 120.570 0.026 0.000 2.226 171 I HA -0.257 3.914 4.170 0.001 0.000 0.245 171 I C 2.453 178.573 176.117 0.004 0.000 1.100 171 I CA 0.981 62.285 61.300 0.006 0.000 1.374 171 I CB -0.409 37.583 38.000 -0.014 0.000 1.057 171 I HN 0.275 nan 8.210 nan 0.000 0.413 172 A N 0.668 123.496 122.820 0.013 0.000 1.933 172 A HA -0.131 4.190 4.320 0.001 0.000 0.218 172 A C 2.420 180.005 177.584 0.002 0.000 1.175 172 A CA 1.830 53.872 52.037 0.008 0.000 0.628 172 A CB -0.693 18.315 19.000 0.014 0.000 0.814 172 A HN 0.440 nan 8.150 nan 0.000 0.444 173 A N -0.909 121.913 122.820 0.004 0.000 2.169 173 A HA 0.112 4.433 4.320 0.001 0.000 0.212 173 A C 0.771 178.353 177.584 -0.003 0.000 1.153 173 A CA 0.779 52.816 52.037 0.001 0.000 0.756 173 A CB -0.218 18.783 19.000 0.002 0.000 0.813 173 A HN 0.393 nan 8.150 nan 0.000 0.471 174 D N 0.065 120.463 120.400 -0.003 0.000 2.347 174 D HA 0.236 4.876 4.640 0.001 0.000 0.235 174 D C -0.191 176.100 176.300 -0.014 0.000 1.149 174 D CA -0.401 53.594 54.000 -0.008 0.000 0.850 174 D CB 0.730 41.525 40.800 -0.008 0.000 1.061 174 D HN 0.042 nan 8.370 nan 0.000 0.487 175 D N 1.423 121.814 120.400 -0.015 0.000 2.264 175 D HA -0.142 4.498 4.640 0.001 0.000 0.208 175 D C 1.864 178.150 176.300 -0.023 0.000 0.966 175 D CA 0.712 54.702 54.000 -0.018 0.000 0.864 175 D CB 0.070 40.860 40.800 -0.016 0.000 0.933 175 D HN 0.490 nan 8.370 nan 0.000 0.499 176 S N -0.162 115.524 115.700 -0.025 0.000 2.474 176 S HA -0.089 4.381 4.470 0.001 0.000 0.235 176 S C 1.005 175.583 174.600 -0.037 0.000 0.997 176 S CA -0.007 58.175 58.200 -0.031 0.000 0.949 176 S CB 0.063 63.244 63.200 -0.031 0.000 0.766 176 S HN 0.298 nan 8.310 nan 0.000 0.517 177 I N 2.271 122.821 120.570 -0.034 0.000 2.410 177 I HA 0.299 4.470 4.170 0.001 0.000 0.286 177 I C -0.589 175.508 176.117 -0.034 0.000 1.009 177 I CA -0.782 60.495 61.300 -0.038 0.000 1.111 177 I CB 1.639 39.617 38.000 -0.037 0.000 1.262 177 I HN 0.041 nan 8.210 nan 0.000 0.443 178 D N 7.259 127.635 120.400 -0.040 0.000 2.349 178 D HA 0.125 4.765 4.640 0.001 0.000 0.214 178 D C 0.440 176.715 176.300 -0.040 0.000 1.063 178 D CA 0.073 54.050 54.000 -0.038 0.000 0.847 178 D CB 0.060 40.836 40.800 -0.041 0.000 0.933 178 D HN 0.358 nan 8.370 nan 0.000 0.513 179 I N 1.406 121.951 120.570 -0.042 0.000 2.496 179 I HA 0.049 4.220 4.170 0.001 0.000 0.285 179 I C 0.736 176.838 176.117 -0.024 0.000 1.080 179 I CA -0.454 60.823 61.300 -0.039 0.000 1.404 179 I CB 0.876 38.851 38.000 -0.042 0.000 1.403 179 I HN 0.025 nan 8.210 nan 0.000 0.539 180 E N 6.515 126.700 120.200 -0.024 0.000 2.259 180 E HA 0.290 4.641 4.350 0.001 0.000 0.281 180 E C -1.392 175.215 176.600 0.012 0.000 1.037 180 E CA -0.490 55.901 56.400 -0.014 0.000 0.854 180 E CB 1.155 30.832 29.700 -0.039 0.000 1.051 180 E HN 0.376 nan 8.360 nan 0.000 0.409 181 V N 4.328 124.260 119.914 0.029 0.000 2.305 181 V HA 0.462 4.583 4.120 0.001 0.000 0.275 181 V C -0.065 176.115 176.094 0.143 0.000 1.020 181 V CA -0.624 61.711 62.300 0.058 0.000 0.811 181 V CB 0.787 32.611 31.823 0.002 0.000 1.031 181 V HN 0.764 nan 8.190 nan 0.000 0.439 182 A N 7.897 130.790 122.820 0.122 0.000 2.306 182 A HA 0.962 5.283 4.320 0.001 0.000 0.314 182 A C -2.574 175.055 177.584 0.075 0.000 1.164 182 A CA -1.764 50.324 52.037 0.086 0.000 0.822 182 A CB 1.120 20.131 19.000 0.017 0.000 1.130 182 A HN 0.537 nan 8.150 nan 0.000 0.496 183 P HA 0.411 nan 4.420 nan 0.000 0.279 183 P C -0.700 176.583 177.300 -0.030 0.000 1.252 183 P CA -0.302 62.656 63.100 -0.238 0.000 0.811 183 P CB 1.489 32.711 31.700 -0.797 0.000 1.035 184 S N 0.676 116.444 115.700 0.115 0.000 2.521 184 S HA 0.299 4.769 4.470 0.001 0.000 0.295 184 S C -1.041 173.781 174.600 0.370 0.000 1.098 184 S CA -0.592 57.713 58.200 0.175 0.000 0.999 184 S CB 1.205 64.488 63.200 0.137 0.000 1.034 184 S HN 0.533 nan 8.310 nan 0.000 0.483 185 W N 5.033 126.394 121.300 0.102 0.000 2.387 185 W HA 0.386 5.047 4.660 0.001 0.000 0.310 185 W C -0.339 176.162 176.519 -0.030 0.000 1.181 185 W CA -0.421 56.915 57.345 -0.014 0.000 1.333 185 W CB 0.287 29.737 29.460 -0.016 0.000 1.286 185 W HN 0.704 nan 8.180 nan 0.000 0.455 186 R N 9.240 129.594 120.500 -0.244 0.000 2.363 186 R HA 0.260 4.601 4.340 0.001 0.000 0.297 186 R C -2.130 173.941 176.300 -0.382 0.000 1.208 186 R CA -1.309 54.644 56.100 -0.244 0.000 1.121 186 R CB 0.949 31.218 30.300 -0.052 0.000 1.124 186 R HN 0.128 nan 8.270 nan 0.000 0.561 187 P HA 0.147 nan 4.420 nan 0.000 0.243 187 P C -0.562 176.656 177.300 -0.136 0.000 1.672 187 P CA -0.211 62.703 63.100 -0.311 0.000 1.000 187 P CB 0.731 32.338 31.700 -0.155 0.000 1.562 188 D N 1.532 121.794 120.400 -0.231 0.000 2.154 188 D HA -0.210 4.431 4.640 0.001 0.000 0.190 188 D C 1.727 177.561 176.300 -0.778 0.000 1.003 188 D CA 1.613 55.244 54.000 -0.615 0.000 0.849 188 D CB -0.263 40.368 40.800 -0.283 0.000 0.942 188 D HN 0.292 nan 8.370 nan 0.000 0.446 189 K N 0.132 120.178 120.400 -0.590 0.000 2.209 189 K HA -0.068 4.252 4.320 0.001 0.000 0.204 189 K C 2.096 178.479 176.600 -0.362 0.000 1.048 189 K CA 0.461 56.361 56.287 -0.645 0.000 0.940 189 K CB 0.034 31.779 32.500 -1.259 0.000 0.729 189 K HN 0.067 nan 8.250 nan 0.000 0.451 190 V N 1.205 120.996 119.914 -0.205 0.000 2.358 190 V HA -0.219 3.902 4.120 0.001 0.000 0.246 190 V C 1.966 178.350 176.094 0.483 0.000 1.047 190 V CA 1.779 64.245 62.300 0.277 0.000 1.035 190 V CB -0.528 31.491 31.823 0.325 0.000 0.658 190 V HN 0.327 nan 8.190 nan 0.000 0.452 191 F N 0.270 120.418 119.950 0.329 0.000 2.698 191 F HA 0.327 4.855 4.527 0.001 0.000 0.295 191 F C 1.127 177.096 175.800 0.281 0.000 1.124 191 F CA -0.282 57.927 58.000 0.348 0.000 1.426 191 F CB -0.508 38.650 39.000 0.264 0.000 1.120 191 F HN -0.093 nan 8.300 nan 0.000 0.583 192 K N 2.263 122.621 120.400 -0.070 0.000 2.307 192 K HA 0.195 4.516 4.320 0.001 0.000 0.240 192 K C 1.143 177.699 176.600 -0.074 0.000 1.214 192 K CA -0.140 56.126 56.287 -0.035 0.000 1.149 192 K CB 0.174 32.570 32.500 -0.174 0.000 1.668 192 K HN 0.429 nan 8.250 nan 0.000 0.314 193 I N 1.936 122.372 120.570 -0.223 0.000 2.454 193 I HA -0.253 3.918 4.170 0.001 0.000 0.254 193 I C 2.288 178.127 176.117 -0.464 0.000 1.156 193 I CA 1.369 62.173 61.300 -0.827 0.000 1.433 193 I CB 0.227 37.562 38.000 -1.109 0.000 1.082 193 I HN 0.492 nan 8.210 nan 0.000 0.432 194 E N 1.307 121.389 120.200 -0.197 0.000 2.338 194 E HA -0.128 4.222 4.350 0.001 0.000 0.197 194 E C 0.790 177.362 176.600 -0.047 0.000 1.007 194 E CA 0.352 56.691 56.400 -0.102 0.000 0.849 194 E CB -0.590 29.087 29.700 -0.038 0.000 0.774 194 E HN 0.466 nan 8.360 nan 0.000 0.506 195 L N 2.022 123.232 121.223 -0.021 0.000 2.417 195 L HA 0.047 4.388 4.340 0.001 0.000 0.268 195 L C 1.162 178.071 176.870 0.066 0.000 1.158 195 L CA -0.570 54.285 54.840 0.024 0.000 0.819 195 L CB 0.462 42.538 42.059 0.028 0.000 1.112 195 L HN -0.187 nan 8.230 nan 0.000 0.458 196 D N 2.433 122.867 120.400 0.057 0.000 2.123 196 D HA -0.137 4.503 4.640 0.001 0.000 0.196 196 D C 1.862 178.224 176.300 0.103 0.000 0.992 196 D CA 1.662 55.704 54.000 0.071 0.000 0.833 196 D CB -0.053 40.782 40.800 0.057 0.000 0.954 196 D HN 0.831 nan 8.370 nan 0.000 0.455 197 G N -0.619 108.244 108.800 0.105 0.000 2.956 197 G HA2 -0.156 3.804 3.960 0.001 0.000 0.207 197 G HA3 -0.156 3.804 3.960 0.001 0.000 0.207 197 G C 1.147 176.134 174.900 0.146 0.000 1.162 197 G CA -0.294 44.872 45.100 0.109 0.000 0.796 197 G HN 0.182 nan 8.290 nan 0.000 0.527 198 F N 1.035 121.003 119.950 0.031 0.000 2.095 198 F HA -0.143 4.384 4.527 0.001 0.000 0.298 198 F C 2.448 178.299 175.800 0.085 0.000 1.104 198 F CA 1.544 59.573 58.000 0.048 0.000 1.232 198 F CB -0.097 38.897 39.000 -0.009 0.000 0.987 198 F HN 0.032 nan 8.300 nan 0.000 0.475 199 V N 0.615 120.530 119.914 0.001 0.000 2.307 199 V HA -0.288 3.833 4.120 0.001 0.000 0.245 199 V C 2.147 178.166 176.094 -0.126 0.000 1.045 199 V CA 2.193 64.426 62.300 -0.112 0.000 1.024 199 V CB -0.766 31.072 31.823 0.026 0.000 0.651 199 V HN 0.291 nan 8.190 nan 0.000 0.449 200 D N -0.893 119.485 120.400 -0.036 0.000 2.123 200 D HA -0.221 4.419 4.640 0.001 0.000 0.196 200 D C 1.951 178.222 176.300 -0.048 0.000 0.992 200 D CA 1.711 55.695 54.000 -0.026 0.000 0.833 200 D CB -0.324 40.489 40.800 0.021 0.000 0.954 200 D HN 0.586 nan 8.370 nan 0.000 0.455 201 Y N 1.196 121.409 120.300 -0.144 0.000 2.181 201 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 201 Y C 2.204 177.978 175.900 -0.210 0.000 1.146 201 Y CA 0.955 58.964 58.100 -0.152 0.000 1.164 201 Y CB -0.397 37.980 38.460 -0.138 0.000 0.982 201 Y HN -0.095 nan 8.280 nan 0.000 0.515 202 L N 0.821 121.839 121.223 -0.341 0.000 2.079 202 L HA -0.202 4.139 4.340 0.001 0.000 0.210 202 L C 2.318 179.007 176.870 -0.303 0.000 1.081 202 L CA 1.772 56.374 54.840 -0.398 0.000 0.752 202 L CB -0.541 41.218 42.059 -0.501 0.000 0.896 202 L HN 0.154 nan 8.230 nan 0.000 0.433 203 R N -0.859 119.499 120.500 -0.237 0.000 2.115 203 R HA -0.102 4.238 4.340 0.001 0.000 0.226 203 R C 2.182 178.371 176.300 -0.185 0.000 1.100 203 R CA 1.221 57.221 56.100 -0.167 0.000 0.980 203 R CB -0.202 30.031 30.300 -0.112 0.000 0.875 203 R HN 0.367 nan 8.270 nan 0.000 0.445 204 K N 0.362 120.608 120.400 -0.256 0.000 2.097 204 K HA -0.112 4.208 4.320 0.001 0.000 0.205 204 K C 1.953 178.378 176.600 -0.291 0.000 1.050 204 K CA 0.818 56.952 56.287 -0.255 0.000 0.938 204 K CB -0.134 32.198 32.500 -0.280 0.000 0.718 204 K HN 0.024 nan 8.250 nan 0.000 0.442 205 L N 2.130 123.098 121.223 -0.425 0.000 2.056 205 L HA -0.147 4.193 4.340 0.001 0.000 0.207 205 L C 1.822 178.594 176.870 -0.163 0.000 1.078 205 L CA 1.775 56.430 54.840 -0.308 0.000 0.749 205 L CB -0.304 41.554 42.059 -0.335 0.000 0.901 205 L HN 0.129 nan 8.230 nan 0.000 0.433 206 E N -0.455 119.651 120.200 -0.158 0.000 2.097 206 E HA -0.262 4.089 4.350 0.001 0.000 0.196 206 E C 2.107 178.660 176.600 -0.079 0.000 1.000 206 E CA 1.333 57.673 56.400 -0.100 0.000 0.804 206 E CB -0.309 29.335 29.700 -0.094 0.000 0.740 206 E HN 0.664 nan 8.360 nan 0.000 0.454 207 A N 1.055 123.821 122.820 -0.090 0.000 1.929 207 A HA 0.047 4.368 4.320 0.001 0.000 0.216 207 A C 2.307 179.855 177.584 -0.060 0.000 1.176 207 A CA 1.311 53.307 52.037 -0.068 0.000 0.628 207 A CB -0.340 18.619 19.000 -0.068 0.000 0.816 207 A HN 0.279 nan 8.150 nan 0.000 0.444 208 A N -0.365 122.412 122.820 -0.072 0.000 1.897 208 A HA 0.306 4.627 4.320 0.001 0.000 0.215 208 A C 2.260 179.825 177.584 -0.032 0.000 1.181 208 A CA 1.715 53.721 52.037 -0.051 0.000 0.620 208 A CB -0.622 18.352 19.000 -0.043 0.000 0.821 208 A HN 1.006 nan 8.150 nan 0.000 0.443 209 A N -1.535 121.273 122.820 -0.021 0.000 2.238 209 A HA 0.338 4.659 4.320 0.001 0.000 0.210 209 A C 0.689 178.268 177.584 -0.008 0.000 1.179 209 A CA 0.982 53.022 52.037 0.004 0.000 0.827 209 A CB -0.191 18.823 19.000 0.023 0.000 0.856 209 A HN 0.523 nan 8.150 nan 0.000 0.488 210 D N -0.883 119.502 120.400 -0.024 0.000 2.737 210 D HA -0.128 4.513 4.640 0.001 0.000 0.238 210 D C -0.837 175.452 176.300 -0.019 0.000 1.157 210 D CA 0.975 54.961 54.000 -0.023 0.000 0.694 210 D CB -1.531 39.259 40.800 -0.016 0.000 1.021 210 D HN 0.260 nan 8.370 nan 0.000 0.420 211 V N 0.845 120.743 119.914 -0.027 0.000 2.733 211 V HA 0.420 4.541 4.120 0.001 0.000 0.306 211 V C 0.202 176.275 176.094 -0.035 0.000 1.084 211 V CA -0.625 61.660 62.300 -0.026 0.000 0.905 211 V CB 1.968 33.775 31.823 -0.025 0.000 1.010 211 V HN 0.241 nan 8.190 nan 0.000 0.424 212 S N 5.573 121.256 115.700 -0.028 0.000 2.430 212 S HA 0.485 4.956 4.470 0.001 0.000 0.282 212 S C -0.239 174.344 174.600 -0.028 0.000 1.186 212 S CA -0.385 57.799 58.200 -0.028 0.000 1.060 212 S CB -0.308 62.881 63.200 -0.018 0.000 0.966 212 S HN 0.510 nan 8.310 nan 0.000 0.501 213 I N 5.941 126.491 120.570 -0.035 0.000 2.282 213 I HA 0.212 4.383 4.170 0.001 0.000 0.290 213 I C 0.801 176.917 176.117 -0.001 0.000 1.090 213 I CA -0.304 60.979 61.300 -0.029 0.000 1.231 213 I CB 0.961 38.934 38.000 -0.046 0.000 1.434 213 I HN 0.628 nan 8.210 nan 0.000 0.487 214 T N 4.079 118.641 114.554 0.013 0.000 3.019 214 T HA 0.243 4.593 4.350 0.001 0.000 0.247 214 T C 0.927 175.666 174.700 0.064 0.000 0.992 214 T CA 0.194 62.314 62.100 0.035 0.000 1.036 214 T CB 0.373 69.256 68.868 0.025 0.000 1.063 214 T HN 0.405 nan 8.240 nan 0.000 0.476 215 R N -0.263 120.273 120.500 0.061 0.000 2.856 215 R HA 0.498 4.839 4.340 0.001 0.000 0.258 215 R C 0.328 176.701 176.300 0.120 0.000 1.066 215 R CA -0.716 55.445 56.100 0.101 0.000 1.045 215 R CB 0.819 31.166 30.300 0.079 0.000 1.178 215 R HN 0.047 nan 8.270 nan 0.000 0.499 216 F N 1.213 121.186 119.950 0.038 0.000 2.216 216 F HA -0.208 4.320 4.527 0.001 0.000 0.300 216 F C 1.755 177.503 175.800 -0.087 0.000 1.085 216 F CA 1.967 59.971 58.000 0.008 0.000 1.326 216 F CB 0.048 39.044 39.000 -0.006 0.000 1.027 216 F HN 0.626 nan 8.300 nan 0.000 0.497 217 D N -0.012 120.437 120.400 0.083 0.000 2.219 217 D HA -0.178 4.463 4.640 0.001 0.000 0.205 217 D C 1.713 177.935 176.300 -0.130 0.000 0.970 217 D CA 1.416 55.401 54.000 -0.026 0.000 0.851 217 D CB -0.223 40.598 40.800 0.035 0.000 0.943 217 D HN 0.257 nan 8.370 nan 0.000 0.488 218 D N -0.239 120.101 120.400 -0.099 0.000 2.144 218 D HA -0.134 4.507 4.640 0.001 0.000 0.200 218 D C 2.046 178.241 176.300 -0.174 0.000 0.978 218 D CA 0.348 54.289 54.000 -0.099 0.000 0.833 218 D CB -0.237 40.532 40.800 -0.051 0.000 0.961 218 D HN 0.249 nan 8.370 nan 0.000 0.470 219 L N 1.314 122.366 121.223 -0.285 0.000 2.046 219 L HA -0.113 4.228 4.340 0.001 0.000 0.208 219 L C 2.203 178.773 176.870 -0.502 0.000 1.077 219 L CA 1.540 56.157 54.840 -0.371 0.000 0.747 219 L CB -0.234 41.507 42.059 -0.531 0.000 0.896 219 L HN -0.144 nan 8.230 nan 0.000 0.432 220 R N -0.920 119.165 120.500 -0.692 0.000 2.083 220 R HA -0.197 4.144 4.340 0.001 0.000 0.237 220 R C 2.218 178.328 176.300 -0.317 0.000 1.137 220 R CA 1.963 57.553 56.100 -0.851 0.000 0.951 220 R CB -0.498 29.378 30.300 -0.707 0.000 0.851 220 R HN 0.561 nan 8.270 nan 0.000 0.434 221 Q N 0.198 119.897 119.800 -0.168 0.000 2.061 221 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 221 Q C 2.294 178.286 176.000 -0.013 0.000 0.984 221 Q CA 1.685 57.462 55.803 -0.042 0.000 0.846 221 Q CB -0.250 28.467 28.738 -0.035 0.000 0.902 221 Q HN 0.377 nan 8.270 nan 0.000 0.421 222 A N 1.025 123.816 122.820 -0.047 0.000 1.883 222 A HA -0.182 4.139 4.320 0.001 0.000 0.217 222 A C 2.108 179.743 177.584 0.085 0.000 1.186 222 A CA 1.323 53.361 52.037 0.003 0.000 0.624 222 A CB -0.776 18.206 19.000 -0.031 0.000 0.822 222 A HN 0.294 nan 8.150 nan 0.000 0.444 223 L N -0.964 120.307 121.223 0.079 0.000 2.093 223 L HA -0.138 4.203 4.340 0.001 0.000 0.208 223 L C 2.771 179.807 176.870 0.275 0.000 1.085 223 L CA 1.630 56.634 54.840 0.274 0.000 0.755 223 L CB -0.951 41.278 42.059 0.282 0.000 0.904 223 L HN 0.341 nan 8.230 nan 0.000 0.435 224 T N -0.471 114.234 114.554 0.252 0.000 2.720 224 T HA -0.189 4.161 4.350 0.001 0.000 0.268 224 T C 2.041 176.809 174.700 0.113 0.000 1.037 224 T CA 1.301 63.518 62.100 0.195 0.000 1.144 224 T CB -0.159 68.825 68.868 0.194 0.000 0.864 224 T HN 0.296 nan 8.240 nan 0.000 0.444 225 R N 0.495 121.068 120.500 0.123 0.000 2.081 225 R HA 0.032 4.373 4.340 0.001 0.000 0.235 225 R C 2.767 179.189 176.300 0.203 0.000 1.131 225 R CA 0.924 57.101 56.100 0.129 0.000 0.960 225 R CB -0.119 30.240 30.300 0.099 0.000 0.856 225 R HN 0.229 nan 8.270 nan 0.000 0.436 226 R N 0.794 121.451 120.500 0.261 0.000 2.075 226 R HA -0.044 4.297 4.340 0.001 0.000 0.232 226 R C 2.385 178.929 176.300 0.407 0.000 1.126 226 R CA 0.991 57.356 56.100 0.442 0.000 0.963 226 R CB -0.655 29.988 30.300 0.572 0.000 0.858 226 R HN 0.267 nan 8.270 nan 0.000 0.435 227 L N 1.007 122.237 121.223 0.011 0.000 2.042 227 L HA -0.223 4.118 4.340 0.001 0.000 0.210 227 L C 1.922 178.857 176.870 0.109 0.000 1.076 227 L CA 1.368 56.051 54.840 -0.262 0.000 0.749 227 L CB -0.508 41.234 42.059 -0.528 0.000 0.893 227 L HN 0.091 nan 8.230 nan 0.000 0.432 228 D N -1.340 119.131 120.400 0.119 0.000 2.117 228 D HA -0.224 4.417 4.640 0.001 0.000 0.197 228 D C 1.963 178.412 176.300 0.249 0.000 0.987 228 D CA 1.356 55.447 54.000 0.152 0.000 0.829 228 D CB -0.181 40.687 40.800 0.113 0.000 0.961 228 D HN 0.404 nan 8.370 nan 0.000 0.460 229 H N -0.243 118.971 119.070 0.239 0.000 2.293 229 H HA -0.116 4.440 4.556 0.001 0.000 0.300 229 H C 1.870 177.363 175.328 0.275 0.000 1.082 229 H CA 1.491 57.683 56.048 0.239 0.000 1.308 229 H CB -0.554 29.373 29.762 0.274 0.000 1.375 229 H HN -0.006 nan 8.280 nan 0.000 0.495 230 F N 0.576 120.618 119.950 0.153 0.000 2.120 230 F HA -0.182 4.345 4.527 0.001 0.000 0.300 230 F C 2.773 178.619 175.800 0.076 0.000 1.095 230 F CA 1.397 59.462 58.000 0.107 0.000 1.249 230 F CB -1.022 38.190 39.000 0.353 0.000 0.995 230 F HN 0.380 nan 8.300 nan 0.000 0.480 231 A N -0.183 122.882 122.820 0.408 0.000 1.877 231 A HA -0.088 4.233 4.320 0.001 0.000 0.216 231 A C 2.404 180.068 177.584 0.134 0.000 1.186 231 A CA 1.850 54.096 52.037 0.350 0.000 0.620 231 A CB -1.390 17.814 19.000 0.340 0.000 0.822 231 A HN 0.306 nan 8.150 nan 0.000 0.443 232 A N -1.509 121.355 122.820 0.074 0.000 2.070 232 A HA -0.117 4.203 4.320 0.001 0.000 0.220 232 A C 1.821 179.369 177.584 -0.060 0.000 1.159 232 A CA 1.518 53.562 52.037 0.012 0.000 0.656 232 A CB -0.967 18.047 19.000 0.022 0.000 0.800 232 A HN 0.597 nan 8.150 nan 0.000 0.453 233 C N -0.741 118.469 119.300 -0.150 0.000 2.559 233 C HA 0.492 4.953 4.460 0.001 0.000 0.300 233 C C 1.822 176.726 174.990 -0.145 0.000 1.288 233 C CA 0.066 58.962 59.018 -0.204 0.000 1.699 233 C CB -1.344 26.149 27.740 -0.413 0.000 1.819 233 C HN 1.034 nan 8.230 nan 0.000 0.600 234 G N 0.122 108.876 108.800 -0.077 0.000 2.141 234 G HA2 -0.266 3.695 3.960 0.001 0.000 0.242 234 G HA3 -0.266 3.695 3.960 0.001 0.000 0.242 234 G C 0.268 175.100 174.900 -0.113 0.000 0.982 234 G CA 0.159 45.221 45.100 -0.062 0.000 0.662 234 G HN 0.627 nan 8.290 nan 0.000 0.527 235 C N 1.065 120.267 119.300 -0.164 0.000 2.644 235 C HA 0.698 5.159 4.460 0.001 0.000 0.417 235 C C 1.591 176.152 174.990 -0.715 0.000 1.304 235 C CA 0.521 59.315 59.018 -0.373 0.000 2.035 235 C CB 0.003 27.529 27.740 -0.355 0.000 2.673 235 C HN 0.788 nan 8.230 nan 0.000 0.602 236 R N 3.585 123.629 120.500 -0.760 0.000 2.534 236 R HA 0.556 4.897 4.340 0.001 0.000 0.438 236 R C -0.622 175.409 176.300 -0.448 0.000 0.913 236 R CA -0.030 55.583 56.100 -0.812 0.000 1.130 236 R CB -0.287 29.887 30.300 -0.211 0.000 1.611 236 R HN 0.734 nan 8.270 nan 0.000 0.571 237 A N 0.782 123.321 122.820 -0.470 0.000 2.594 237 A HA 0.707 5.028 4.320 0.001 0.000 0.295 237 A C -0.952 176.603 177.584 -0.047 0.000 1.071 237 A CA -0.496 51.516 52.037 -0.042 0.000 0.685 237 A CB 1.862 21.028 19.000 0.276 0.000 1.285 237 A HN 0.347 nan 8.150 nan 0.000 0.405 238 S N 0.262 115.969 115.700 0.012 0.000 2.632 238 S HA 0.863 5.334 4.470 0.001 0.000 0.289 238 S C -1.294 173.322 174.600 0.028 0.000 1.115 238 S CA -0.524 57.690 58.200 0.023 0.000 0.889 238 S CB 2.125 65.155 63.200 -0.283 0.000 1.116 238 S HN 0.898 nan 8.310 nan 0.000 0.486 239 D N -0.767 119.584 120.400 -0.081 0.000 2.756 239 D HA 0.556 5.197 4.640 0.001 0.000 0.226 239 D C -2.012 174.144 176.300 -0.239 0.000 1.186 239 D CA -0.185 53.807 54.000 -0.014 0.000 0.845 239 D CB 1.520 42.348 40.800 0.046 0.000 1.610 239 D HN 0.728 nan 8.370 nan 0.000 0.465 240 H N 0.439 119.653 119.070 0.240 0.000 2.840 240 H HA 0.596 5.153 4.556 0.001 0.000 0.340 240 H C 0.149 175.676 175.328 0.331 0.000 1.004 240 H CA -0.893 55.357 56.048 0.336 0.000 1.288 240 H CB 2.155 32.075 29.762 0.263 0.000 1.607 240 H HN 0.348 nan 8.280 nan 0.000 0.522 241 G N 3.155 112.218 108.800 0.437 0.000 2.327 241 G HA2 0.491 4.451 3.960 0.001 0.000 0.302 241 G HA3 0.491 4.451 3.960 0.001 0.000 0.302 241 G C -0.424 174.754 174.900 0.464 0.000 1.113 241 G CA -0.441 44.890 45.100 0.385 0.000 0.921 241 G HN 0.620 nan 8.290 nan 0.000 0.425 242 I N 2.597 123.427 120.570 0.433 0.000 2.420 242 I HA 0.225 4.396 4.170 0.001 0.000 0.282 242 I C 0.224 176.550 176.117 0.349 0.000 1.019 242 I CA -0.525 61.016 61.300 0.403 0.000 1.130 242 I CB 2.043 40.234 38.000 0.317 0.000 1.262 242 I HN 0.449 nan 8.210 nan 0.000 0.454 243 E N 2.246 122.632 120.200 0.310 0.000 2.122 243 E HA 0.025 4.375 4.350 0.001 0.000 0.190 243 E C 0.072 176.800 176.600 0.214 0.000 0.977 243 E CA 0.934 57.489 56.400 0.259 0.000 0.820 243 E CB 0.325 30.154 29.700 0.214 0.000 0.770 243 E HN 0.430 nan 8.360 nan 0.000 0.462 244 T N 1.358 116.038 114.554 0.209 0.000 2.912 244 T HA 0.329 4.679 4.350 0.001 0.000 0.326 244 T C -0.868 173.950 174.700 0.196 0.000 1.080 244 T CA -0.616 61.592 62.100 0.179 0.000 1.000 244 T CB 0.651 69.610 68.868 0.151 0.000 1.008 244 T HN -0.078 nan 8.240 nan 0.000 0.473 245 L N 5.407 126.743 121.223 0.187 0.000 2.385 245 L HA 0.415 4.756 4.340 0.001 0.000 0.281 245 L C 0.248 177.230 176.870 0.187 0.000 1.106 245 L CA 0.333 55.278 54.840 0.175 0.000 0.856 245 L CB -0.210 41.943 42.059 0.157 0.000 1.186 245 L HN 0.479 nan 8.230 nan 0.000 0.453 246 R N 4.367 124.978 120.500 0.185 0.000 2.856 246 R HA 0.724 5.064 4.340 0.001 0.000 0.258 246 R C -1.450 175.005 176.300 0.258 0.000 1.066 246 R CA -0.845 55.384 56.100 0.215 0.000 1.045 246 R CB 1.847 32.249 30.300 0.170 0.000 1.178 246 R HN 0.517 nan 8.270 nan 0.000 0.499 247 F N -0.158 119.857 119.950 0.109 0.000 2.639 247 F HA 0.569 5.096 4.527 0.001 0.000 0.320 247 F C -1.915 173.952 175.800 0.112 0.000 1.128 247 F CA -0.308 57.701 58.000 0.014 0.000 1.037 247 F CB 1.865 40.726 39.000 -0.232 0.000 1.288 247 F HN 0.688 nan 8.300 nan 0.000 0.463 248 A N 5.608 127.845 122.820 -0.972 0.000 2.520 248 A HA 0.826 5.146 4.320 0.001 0.000 0.298 248 A C -3.154 173.779 177.584 -1.085 0.000 1.051 248 A CA -1.835 49.808 52.037 -0.658 0.000 0.690 248 A CB 1.741 20.595 19.000 -0.243 0.000 1.281 248 A HN 0.371 nan 8.150 nan 0.000 0.402 249 P HA 0.177 nan 4.420 nan 0.000 0.265 249 P C -0.143 176.995 177.300 -0.270 0.000 1.193 249 P CA 0.094 62.998 63.100 -0.325 0.000 0.765 249 P CB 0.468 32.143 31.700 -0.043 0.000 0.823 250 V N 6.541 126.325 119.914 -0.217 0.000 2.493 250 V HA 0.067 4.188 4.120 0.001 0.000 0.292 250 V C -1.058 174.950 176.094 -0.142 0.000 1.016 250 V CA -0.553 61.636 62.300 -0.186 0.000 1.097 250 V CB -0.397 31.337 31.823 -0.147 0.000 0.947 250 V HN 0.653 nan 8.190 nan 0.000 0.479 251 P HA 0.342 nan 4.420 nan 0.000 0.282 251 P C -0.895 176.326 177.300 -0.131 0.000 1.287 251 P CA -0.656 62.376 63.100 -0.114 0.000 0.792 251 P CB 0.652 32.293 31.700 -0.098 0.000 1.163 252 D N -0.963 119.381 120.400 -0.093 0.000 2.371 252 D HA -0.011 4.630 4.640 0.001 0.000 0.242 252 D C 0.461 176.693 176.300 -0.113 0.000 1.218 252 D CA -0.138 53.809 54.000 -0.087 0.000 0.945 252 D CB -0.221 40.551 40.800 -0.047 0.000 1.137 252 D HN 0.135 nan 8.370 nan 0.000 0.464 253 D N -0.130 120.214 120.400 -0.093 0.000 2.221 253 D HA -0.117 4.524 4.640 0.001 0.000 0.204 253 D C 1.921 178.206 176.300 -0.025 0.000 0.982 253 D CA 1.779 55.734 54.000 -0.075 0.000 0.857 253 D CB -0.472 40.323 40.800 -0.007 0.000 0.934 253 D HN 0.554 nan 8.370 nan 0.000 0.475 254 A N 0.539 123.349 122.820 -0.017 0.000 1.902 254 A HA -0.245 4.076 4.320 0.001 0.000 0.217 254 A C 2.165 179.749 177.584 0.001 0.000 1.181 254 A CA 1.821 53.859 52.037 0.001 0.000 0.623 254 A CB -0.564 18.435 19.000 -0.001 0.000 0.818 254 A HN 0.167 nan 8.150 nan 0.000 0.443 255 Q N 0.006 119.794 119.800 -0.021 0.000 2.083 255 Q HA -0.004 4.337 4.340 0.001 0.000 0.198 255 Q C 1.836 177.833 176.000 -0.005 0.000 0.969 255 Q CA 1.597 57.390 55.803 -0.017 0.000 0.838 255 Q CB -0.536 28.180 28.738 -0.035 0.000 0.900 255 Q HN 0.634 nan 8.270 nan 0.000 0.436 256 L N 0.452 121.646 121.223 -0.050 0.000 2.083 256 L HA -0.195 4.146 4.340 0.001 0.000 0.209 256 L C 1.843 178.801 176.870 0.148 0.000 1.083 256 L CA 1.351 56.178 54.840 -0.022 0.000 0.752 256 L CB -0.534 41.296 42.059 -0.381 0.000 0.899 256 L HN 0.230 nan 8.230 nan 0.000 0.433 257 D N 0.246 120.713 120.400 0.112 0.000 2.117 257 D HA -0.142 4.498 4.640 0.001 0.000 0.198 257 D C 2.266 178.627 176.300 0.101 0.000 0.982 257 D CA 1.503 55.585 54.000 0.136 0.000 0.828 257 D CB -0.103 40.753 40.800 0.094 0.000 0.967 257 D HN 0.293 nan 8.370 nan 0.000 0.464 258 A N 0.818 123.677 122.820 0.065 0.000 1.883 258 A HA -0.165 4.156 4.320 0.001 0.000 0.217 258 A C 2.398 180.009 177.584 0.045 0.000 1.186 258 A CA 1.053 53.117 52.037 0.045 0.000 0.624 258 A CB -0.816 18.200 19.000 0.027 0.000 0.822 258 A HN 0.194 nan 8.150 nan 0.000 0.444 259 I N -0.924 119.680 120.570 0.056 0.000 2.127 259 I HA -0.262 3.909 4.170 0.001 0.000 0.241 259 I C 2.439 178.557 176.117 0.002 0.000 1.075 259 I CA 1.487 62.807 61.300 0.033 0.000 1.334 259 I CB -0.342 37.704 38.000 0.078 0.000 1.040 259 I HN 0.391 nan 8.210 nan 0.000 0.405 260 L N 1.253 122.521 121.223 0.076 0.000 2.079 260 L HA -0.120 4.221 4.340 0.001 0.000 0.210 260 L C 2.277 179.183 176.870 0.061 0.000 1.081 260 L CA 2.201 57.080 54.840 0.065 0.000 0.752 260 L CB -1.275 40.929 42.059 0.243 0.000 0.896 260 L HN 0.213 nan 8.230 nan 0.000 0.433 261 G N -0.828 108.010 108.800 0.063 0.000 2.402 261 G HA2 -0.237 3.724 3.960 0.001 0.000 0.216 261 G HA3 -0.237 3.724 3.960 0.001 0.000 0.216 261 G C 1.628 176.545 174.900 0.028 0.000 1.162 261 G CA 0.687 45.816 45.100 0.048 0.000 0.777 261 G HN 0.426 nan 8.290 nan 0.000 0.539 262 K N 0.018 120.425 120.400 0.013 0.000 2.097 262 K HA -0.051 4.270 4.320 0.001 0.000 0.205 262 K C 2.553 179.150 176.600 -0.006 0.000 1.050 262 K CA 0.997 57.284 56.287 0.001 0.000 0.938 262 K CB -0.075 32.420 32.500 -0.010 0.000 0.718 262 K HN 0.100 nan 8.250 nan 0.000 0.442 263 R N 1.788 122.274 120.500 -0.023 0.000 2.066 263 R HA -0.026 4.315 4.340 0.001 0.000 0.232 263 R C 2.091 178.423 176.300 0.053 0.000 1.131 263 R CA 1.231 57.319 56.100 -0.020 0.000 0.955 263 R CB -0.675 29.561 30.300 -0.105 0.000 0.851 263 R HN 0.115 nan 8.270 nan 0.000 0.432 264 L N -0.108 121.158 121.223 0.072 0.000 2.131 264 L HA -0.046 4.294 4.340 0.001 0.000 0.210 264 L C 1.940 178.835 176.870 0.042 0.000 1.092 264 L CA 1.250 56.132 54.840 0.070 0.000 0.759 264 L CB -0.489 41.607 42.059 0.062 0.000 0.903 264 L HN 0.264 nan 8.230 nan 0.000 0.435 265 A N -0.325 122.514 122.820 0.031 0.000 2.302 265 A HA 0.350 4.671 4.320 0.001 0.000 0.219 265 A C 1.735 179.330 177.584 0.019 0.000 1.243 265 A CA 0.571 52.621 52.037 0.022 0.000 0.856 265 A CB -0.606 18.405 19.000 0.018 0.000 0.893 265 A HN 0.510 nan 8.150 nan 0.000 0.491 266 G N -0.394 108.420 108.800 0.024 0.000 2.175 266 G HA2 -0.284 3.677 3.960 0.001 0.000 0.265 266 G HA3 -0.284 3.677 3.960 0.001 0.000 0.265 266 G C -0.031 174.876 174.900 0.010 0.000 0.979 266 G CA 0.585 45.697 45.100 0.020 0.000 0.663 266 G HN 0.680 nan 8.290 nan 0.000 0.533 267 E N 1.105 121.308 120.200 0.005 0.000 2.366 267 E HA 0.427 4.777 4.350 0.001 0.000 0.266 267 E C 0.947 177.541 176.600 -0.010 0.000 1.051 267 E CA 0.294 56.694 56.400 -0.001 0.000 0.884 267 E CB 0.553 30.252 29.700 -0.001 0.000 1.006 267 E HN 0.406 nan 8.360 nan 0.000 0.417 268 T N 0.279 114.827 114.554 -0.009 0.000 2.869 268 T HA 0.353 4.704 4.350 0.001 0.000 0.295 268 T C 0.159 174.846 174.700 -0.021 0.000 0.987 268 T CA -0.689 61.402 62.100 -0.015 0.000 1.109 268 T CB 0.286 69.149 68.868 -0.009 0.000 0.932 268 T HN 0.230 nan 8.240 nan 0.000 0.518 269 L N 3.168 124.371 121.223 -0.033 0.000 2.357 269 L HA 0.473 4.813 4.340 0.001 0.000 0.273 269 L C 1.188 178.047 176.870 -0.019 0.000 1.080 269 L CA -1.019 53.800 54.840 -0.036 0.000 0.803 269 L CB 1.439 43.458 42.059 -0.066 0.000 1.174 269 L HN 0.961 nan 8.230 nan 0.000 0.443 270 S N 0.186 115.880 115.700 -0.011 0.000 2.645 270 S HA 0.178 4.649 4.470 0.001 0.000 0.266 270 S C 0.788 175.391 174.600 0.006 0.000 1.258 270 S CA -0.725 57.475 58.200 -0.001 0.000 0.990 270 S CB 1.399 64.600 63.200 0.002 0.000 0.967 270 S HN 0.588 nan 8.310 nan 0.000 0.556 271 E N -0.079 120.130 120.200 0.015 0.000 2.077 271 E HA -0.121 4.229 4.350 0.001 0.000 0.193 271 E C 1.803 178.423 176.600 0.033 0.000 0.989 271 E CA 0.861 57.278 56.400 0.029 0.000 0.800 271 E CB -0.505 29.216 29.700 0.035 0.000 0.746 271 E HN 0.645 nan 8.360 nan 0.000 0.452 272 L N 1.792 123.030 121.223 0.025 0.000 2.017 272 L HA -0.182 4.159 4.340 0.001 0.000 0.208 272 L C 1.963 178.842 176.870 0.014 0.000 1.073 272 L CA 1.869 56.721 54.840 0.020 0.000 0.745 272 L CB -0.447 41.619 42.059 0.013 0.000 0.894 272 L HN 0.040 nan 8.230 nan 0.000 0.432 273 E N -0.438 119.770 120.200 0.013 0.000 2.085 273 E HA -0.245 4.106 4.350 0.001 0.000 0.194 273 E C 2.242 178.867 176.600 0.041 0.000 0.994 273 E CA 1.802 58.212 56.400 0.017 0.000 0.801 273 E CB -0.246 29.454 29.700 0.000 0.000 0.743 273 E HN 0.583 nan 8.360 nan 0.000 0.453 274 I N 0.957 121.546 120.570 0.031 0.000 2.202 274 I HA -0.251 3.920 4.170 0.001 0.000 0.242 274 I C 2.574 178.755 176.117 0.107 0.000 1.091 274 I CA 0.906 62.238 61.300 0.054 0.000 1.368 274 I CB -0.351 37.669 38.000 0.033 0.000 1.058 274 I HN 0.082 nan 8.210 nan 0.000 0.410 275 A N 0.295 123.156 122.820 0.069 0.000 1.902 275 A HA -0.261 4.060 4.320 0.001 0.000 0.217 275 A C 2.268 179.842 177.584 -0.016 0.000 1.181 275 A CA 1.631 53.694 52.037 0.044 0.000 0.623 275 A CB -0.630 18.390 19.000 0.034 0.000 0.818 275 A HN 0.468 nan 8.150 nan 0.000 0.443 276 Q N -1.868 117.920 119.800 -0.020 0.000 2.020 276 Q HA -0.163 4.177 4.340 0.001 0.000 0.202 276 Q C 1.973 177.962 176.000 -0.018 0.000 0.982 276 Q CA 1.738 57.500 55.803 -0.068 0.000 0.838 276 Q CB -0.315 28.393 28.738 -0.050 0.000 0.899 276 Q HN 0.743 nan 8.270 nan 0.000 0.423 277 F N 1.149 121.071 119.950 -0.046 0.000 2.102 277 F HA -0.214 4.313 4.527 0.001 0.000 0.298 277 F C 2.254 178.111 175.800 0.095 0.000 1.105 277 F CA 1.715 59.729 58.000 0.023 0.000 1.239 277 F CB -0.369 38.650 39.000 0.032 0.000 0.991 277 F HN -0.046 nan 8.300 nan 0.000 0.474 278 T N -0.509 114.216 114.554 0.285 0.000 2.720 278 T HA -0.195 4.155 4.350 0.001 0.000 0.268 278 T C 1.842 176.569 174.700 0.045 0.000 1.037 278 T CA 2.127 64.370 62.100 0.238 0.000 1.144 278 T CB -0.674 68.357 68.868 0.272 0.000 0.864 278 T HN 0.319 nan 8.240 nan 0.000 0.444 279 T N 1.894 116.433 114.554 -0.025 0.000 2.777 279 T HA 0.029 4.380 4.350 0.001 0.000 0.266 279 T C 2.416 177.069 174.700 -0.079 0.000 1.040 279 T CA 1.060 63.113 62.100 -0.079 0.000 1.141 279 T CB -0.522 68.213 68.868 -0.222 0.000 0.868 279 T HN 0.427 nan 8.240 nan 0.000 0.444 280 A N 0.969 123.710 122.820 -0.132 0.000 1.933 280 A HA -0.043 4.277 4.320 0.001 0.000 0.218 280 A C 2.560 180.182 177.584 0.064 0.000 1.175 280 A CA 1.302 53.258 52.037 -0.134 0.000 0.628 280 A CB -0.923 17.823 19.000 -0.423 0.000 0.814 280 A HN 0.366 nan 8.150 nan 0.000 0.444 281 V N -0.065 119.867 119.914 0.029 0.000 2.379 281 V HA -0.195 3.926 4.120 0.001 0.000 0.245 281 V C 2.530 178.734 176.094 0.184 0.000 1.044 281 V CA 1.726 64.112 62.300 0.142 0.000 1.036 281 V CB -0.687 31.182 31.823 0.076 0.000 0.664 281 V HN 0.555 nan 8.190 nan 0.000 0.453 282 L N -0.482 120.764 121.223 0.038 0.000 2.056 282 L HA -0.123 4.217 4.340 0.001 0.000 0.207 282 L C 2.468 179.319 176.870 -0.032 0.000 1.078 282 L CA 1.046 55.848 54.840 -0.063 0.000 0.749 282 L CB -0.618 41.307 42.059 -0.224 0.000 0.901 282 L HN 0.194 nan 8.230 nan 0.000 0.433 283 V N -1.096 118.819 119.914 0.002 0.000 2.307 283 V HA -0.293 3.828 4.120 0.001 0.000 0.245 283 V C 2.092 178.187 176.094 0.001 0.000 1.045 283 V CA 1.922 64.215 62.300 -0.012 0.000 1.024 283 V CB -0.629 31.198 31.823 0.007 0.000 0.651 283 V HN 0.611 nan 8.190 nan 0.000 0.449 284 W N 0.555 121.809 121.300 -0.078 0.000 2.333 284 W HA -0.216 4.444 4.660 0.001 0.000 0.316 284 W C 2.203 178.604 176.519 -0.198 0.000 1.215 284 W CA 1.915 59.210 57.345 -0.083 0.000 1.278 284 W CB -0.331 29.138 29.460 0.015 0.000 1.154 284 W HN 0.137 nan 8.180 nan 0.000 0.486 285 L N 0.331 121.535 121.223 -0.032 0.000 2.042 285 L HA -0.146 4.194 4.340 0.001 0.000 0.210 285 L C 2.742 178.994 176.870 -1.029 0.000 1.076 285 L CA 1.586 56.121 54.840 -0.508 0.000 0.749 285 L CB -1.578 40.465 42.059 -0.026 0.000 0.893 285 L HN 0.252 nan 8.230 nan 0.000 0.432 286 G N -0.254 108.255 108.800 -0.485 0.000 2.440 286 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 286 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 286 G C 1.724 176.420 174.900 -0.340 0.000 1.154 286 G CA 0.668 45.608 45.100 -0.266 0.000 0.767 286 G HN 0.301 nan 8.290 nan 0.000 0.552 287 R N -0.340 119.915 120.500 -0.408 0.000 2.096 287 R HA -0.038 4.302 4.340 0.001 0.000 0.235 287 R C 2.834 178.818 176.300 -0.526 0.000 1.127 287 R CA 1.231 57.093 56.100 -0.397 0.000 0.968 287 R CB -0.205 29.865 30.300 -0.383 0.000 0.861 287 R HN 0.305 nan 8.270 nan 0.000 0.440 288 Q N -0.216 119.093 119.800 -0.819 0.000 2.050 288 Q HA -0.165 4.176 4.340 0.001 0.000 0.202 288 Q C 2.015 177.600 176.000 -0.693 0.000 0.980 288 Q CA 1.616 56.889 55.803 -0.884 0.000 0.840 288 Q CB -0.315 27.692 28.738 -1.218 0.000 0.898 288 Q HN 0.437 nan 8.270 nan 0.000 0.424 289 Y N 0.606 120.622 120.300 -0.473 0.000 2.181 289 Y HA -0.135 4.415 4.550 0.001 0.000 0.288 289 Y C 2.479 178.208 175.900 -0.286 0.000 1.146 289 Y CA 0.684 58.565 58.100 -0.364 0.000 1.164 289 Y CB -1.259 37.154 38.460 -0.080 0.000 0.982 289 Y HN 0.111 nan 8.280 nan 0.000 0.515 290 A N 0.358 123.110 122.820 -0.114 0.000 1.883 290 A HA -0.131 4.189 4.320 0.001 0.000 0.217 290 A C 2.514 180.002 177.584 -0.161 0.000 1.186 290 A CA 2.156 54.122 52.037 -0.119 0.000 0.624 290 A CB -1.277 17.645 19.000 -0.130 0.000 0.822 290 A HN 0.402 nan 8.150 nan 0.000 0.444 291 A N -0.540 122.139 122.820 -0.235 0.000 2.015 291 A HA -0.109 4.212 4.320 0.001 0.000 0.219 291 A C 2.157 179.607 177.584 -0.224 0.000 1.163 291 A CA 1.469 53.371 52.037 -0.224 0.000 0.646 291 A CB -0.327 18.512 19.000 -0.268 0.000 0.806 291 A HN 0.561 nan 8.150 nan 0.000 0.448 292 R N -1.744 118.566 120.500 -0.317 0.000 2.312 292 R HA 0.260 4.600 4.340 0.001 0.000 0.205 292 R C 1.169 177.420 176.300 -0.081 0.000 0.904 292 R CA 0.508 56.416 56.100 -0.321 0.000 1.052 292 R CB 0.110 29.923 30.300 -0.811 0.000 1.014 292 R HN 0.623 nan 8.270 nan 0.000 0.503 293 G N 0.546 109.319 108.800 -0.046 0.000 2.147 293 G HA2 -0.217 3.744 3.960 0.001 0.000 0.244 293 G HA3 -0.217 3.744 3.960 0.001 0.000 0.244 293 G C -0.479 174.530 174.900 0.183 0.000 1.005 293 G CA -0.186 44.940 45.100 0.044 0.000 0.713 293 G HN 0.141 nan 8.290 nan 0.000 0.515 294 W N -0.609 120.649 121.300 -0.070 0.000 2.237 294 W HA 0.646 5.307 4.660 0.001 0.000 0.335 294 W C 0.882 177.296 176.519 -0.175 0.000 1.230 294 W CA -1.071 56.224 57.345 -0.083 0.000 1.253 294 W CB 0.478 29.921 29.460 -0.029 0.000 1.129 294 W HN 0.083 nan 8.180 nan 0.000 0.590 298 L N 2.620 123.900 121.223 0.095 0.000 2.343 298 L HA 0.523 4.864 4.340 0.001 0.000 0.278 298 L C -0.942 175.921 176.870 -0.012 0.000 0.996 298 L CA -0.680 54.218 54.840 0.097 0.000 0.831 298 L CB 1.135 43.219 42.059 0.042 0.000 1.232 298 L HN 0.627 nan 8.230 nan 0.000 0.413 299 H N 4.068 123.142 119.070 0.007 0.000 2.685 299 H HA 0.516 5.073 4.556 0.001 0.000 0.286 299 H C -0.499 174.877 175.328 0.080 0.000 1.102 299 H CA -0.102 55.751 56.048 -0.324 0.000 1.254 299 H CB 0.872 30.115 29.762 -0.866 0.000 1.397 299 H HN 0.406 nan 8.280 nan 0.000 0.473 300 I N 1.780 122.570 120.570 0.367 0.000 2.441 300 I HA 0.430 4.601 4.170 0.001 0.000 0.295 300 I C 0.890 177.352 176.117 0.576 0.000 0.994 300 I CA -0.326 61.243 61.300 0.447 0.000 1.144 300 I CB 1.977 40.155 38.000 0.297 0.000 1.314 300 I HN 0.861 nan 8.210 nan 0.000 0.445 301 G N 3.832 112.903 108.800 0.451 0.000 2.159 301 G HA2 -0.071 3.890 3.960 0.001 0.000 0.170 301 G HA3 -0.071 3.890 3.960 0.001 0.000 0.170 301 G C 0.123 175.175 174.900 0.252 0.000 1.007 301 G CA -0.198 45.099 45.100 0.329 0.000 0.672 301 G HN 0.932 nan 8.290 nan 0.000 0.507 302 A N -0.026 122.982 122.820 0.313 0.000 2.340 302 A HA 0.768 5.089 4.320 0.001 0.000 0.268 302 A C 0.166 177.842 177.584 0.152 0.000 1.100 302 A CA 0.026 52.181 52.037 0.197 0.000 0.803 302 A CB 0.754 19.968 19.000 0.357 0.000 1.043 302 A HN 1.288 nan 8.150 nan 0.000 0.488 303 I N 1.945 122.560 120.570 0.077 0.000 2.382 303 I HA 0.419 4.589 4.170 0.001 0.000 0.285 303 I C -0.166 176.000 176.117 0.082 0.000 1.007 303 I CA -0.505 60.836 61.300 0.068 0.000 1.142 303 I CB 0.653 38.669 38.000 0.028 0.000 1.289 303 I HN 0.783 nan 8.210 nan 0.000 0.453 304 R N 5.435 125.996 120.500 0.102 0.000 2.758 304 R HA 0.455 4.795 4.340 0.001 0.000 0.265 304 R C -0.080 176.257 176.300 0.062 0.000 1.016 304 R CA -0.905 55.267 56.100 0.120 0.000 1.040 304 R CB 0.710 31.099 30.300 0.148 0.000 1.152 304 R HN 0.644 nan 8.270 nan 0.000 0.503 305 N N 1.868 120.628 118.700 0.100 0.000 2.688 305 N HA -0.200 4.541 4.740 0.001 0.000 0.258 305 N C -0.229 175.276 175.510 -0.008 0.000 1.016 305 N CA 0.451 53.525 53.050 0.040 0.000 0.747 305 N CB -0.972 37.388 38.487 -0.212 0.000 0.895 305 N HN 0.666 nan 8.380 nan 0.000 0.543 306 N N 0.251 118.996 118.700 0.074 0.000 2.396 306 N HA -0.088 4.653 4.740 0.001 0.000 0.180 306 N C 0.322 175.843 175.510 0.018 0.000 1.028 306 N CA 0.556 53.631 53.050 0.042 0.000 0.893 306 N CB 0.096 38.628 38.487 0.074 0.000 0.967 306 N HN 0.376 nan 8.380 nan 0.000 0.440 307 N N 1.073 119.776 118.700 0.005 0.000 2.609 307 N HA 0.124 4.864 4.740 0.001 0.000 0.234 307 N C 0.387 175.828 175.510 -0.115 0.000 1.001 307 N CA 0.031 53.020 53.050 -0.102 0.000 0.926 307 N CB 0.886 39.207 38.487 -0.276 0.000 1.130 307 N HN -0.122 nan 8.380 nan 0.000 0.510 308 T N 1.771 116.291 114.554 -0.057 0.000 2.708 308 T HA -0.127 4.224 4.350 0.001 0.000 0.266 308 T C 1.230 175.935 174.700 0.009 0.000 1.037 308 T CA 0.992 63.091 62.100 -0.002 0.000 1.146 308 T CB 0.082 68.943 68.868 -0.012 0.000 0.865 308 T HN 0.509 nan 8.240 nan 0.000 0.435 312 R N 0.652 121.119 120.500 -0.055 0.000 2.120 312 R HA -0.081 4.259 4.340 0.001 0.000 0.234 312 R C 1.696 177.894 176.300 -0.170 0.000 1.123 312 R CA 1.905 57.936 56.100 -0.116 0.000 0.975 312 R CB -0.314 29.981 30.300 -0.009 0.000 0.866 312 R HN 0.385 nan 8.270 nan 0.000 0.446 313 L N -0.229 120.903 121.223 -0.151 0.000 2.168 313 L HA 0.057 4.397 4.340 0.001 0.000 0.203 313 L C 1.534 178.321 176.870 -0.137 0.000 1.078 313 L CA 1.579 56.344 54.840 -0.124 0.000 0.780 313 L CB 0.233 42.234 42.059 -0.097 0.000 0.939 313 L HN 0.058 nan 8.230 nan 0.000 0.451 314 L N -1.425 119.706 121.223 -0.153 0.000 2.642 314 L HA 0.508 4.848 4.340 0.001 0.000 0.233 314 L C 1.130 177.911 176.870 -0.150 0.000 1.077 314 L CA 0.184 54.962 54.840 -0.104 0.000 0.879 314 L CB -0.271 41.791 42.059 0.006 0.000 1.151 314 L HN 0.370 nan 8.230 nan 0.000 0.495 315 G N 0.993 109.580 108.800 -0.354 0.000 2.660 315 G HA2 -0.175 3.786 3.960 0.001 0.000 0.215 315 G HA3 -0.175 3.786 3.960 0.001 0.000 0.215 315 G C -2.812 172.057 174.900 -0.052 0.000 1.345 315 G CA -0.608 44.195 45.100 -0.496 0.000 0.877 315 G HN 0.007 nan 8.290 nan 0.000 0.549 316 P HA 0.365 nan 4.420 nan 0.000 0.276 316 P C -0.440 176.927 177.300 0.111 0.000 1.252 316 P CA 0.493 63.751 63.100 0.264 0.000 0.802 316 P CB 0.397 32.260 31.700 0.272 0.000 1.035 317 D N -0.733 119.710 120.400 0.071 0.000 2.699 317 D HA -0.101 4.539 4.640 0.001 0.000 0.239 317 D C 0.260 176.283 176.300 -0.463 0.000 1.136 317 D CA 1.436 55.357 54.000 -0.132 0.000 0.668 317 D CB -1.926 38.822 40.800 -0.087 0.000 1.060 317 D HN 0.583 nan 8.370 nan 0.000 0.429 318 T N -3.642 110.805 114.554 -0.178 0.000 3.145 318 T HA 0.490 4.841 4.350 0.001 0.000 0.281 318 T C 1.279 175.913 174.700 -0.110 0.000 1.003 318 T CA 0.396 62.462 62.100 -0.056 0.000 0.901 318 T CB 1.226 70.259 68.868 0.275 0.000 1.112 318 T HN 0.635 nan 8.240 nan 0.000 0.535 319 G N 1.327 109.968 108.800 -0.264 0.000 2.138 319 G HA2 -0.168 3.792 3.960 0.001 0.000 0.193 319 G HA3 -0.168 3.792 3.960 0.001 0.000 0.193 319 G C -0.029 174.549 174.900 -0.536 0.000 0.998 319 G CA -0.325 44.576 45.100 -0.332 0.000 0.668 319 G HN 0.502 nan 8.290 nan 0.000 0.516 320 F N 1.494 121.525 119.950 0.135 0.000 2.855 320 F HA 0.392 4.919 4.527 0.001 0.000 0.317 320 F C 0.184 176.053 175.800 0.115 0.000 1.169 320 F CA -0.952 57.120 58.000 0.120 0.000 1.299 320 F CB 0.666 39.732 39.000 0.110 0.000 0.962 320 F HN -0.079 nan 8.300 nan 0.000 0.506 321 D N -0.134 120.411 120.400 0.241 0.000 2.252 321 D HA 0.621 5.262 4.640 0.001 0.000 0.245 321 D C 0.081 176.433 176.300 0.087 0.000 1.009 321 D CA -0.107 54.016 54.000 0.204 0.000 0.870 321 D CB 2.060 43.070 40.800 0.351 0.000 1.251 321 D HN 0.133 nan 8.370 nan 0.000 0.460 322 S N -0.362 115.298 115.700 -0.067 0.000 2.903 322 S HA 0.602 5.072 4.470 0.001 0.000 0.314 322 S C -0.457 173.944 174.600 -0.332 0.000 1.177 322 S CA -0.892 57.112 58.200 -0.328 0.000 0.859 322 S CB 0.432 63.452 63.200 -0.300 0.000 1.265 322 S HN 0.332 nan 8.310 nan 0.000 0.584 323 I N 2.115 122.428 120.570 -0.427 0.000 2.396 323 I HA 0.444 4.614 4.170 0.001 0.000 0.289 323 I C 1.187 177.236 176.117 -0.115 0.000 1.056 323 I CA -0.250 60.894 61.300 -0.259 0.000 1.365 323 I CB 0.497 38.328 38.000 -0.282 0.000 1.407 323 I HN 0.874 nan 8.210 nan 0.000 0.509 324 G N 3.953 112.737 108.800 -0.028 0.000 2.588 324 G HA2 0.309 4.270 3.960 0.001 0.000 0.281 324 G HA3 0.309 4.270 3.960 0.001 0.000 0.281 324 G C -0.118 174.803 174.900 0.034 0.000 1.236 324 G CA -0.209 44.903 45.100 0.021 0.000 0.969 324 G HN 0.790 nan 8.290 nan 0.000 0.504 325 D N -1.549 118.879 120.400 0.047 0.000 2.881 325 D HA 0.015 4.656 4.640 0.001 0.000 0.325 325 D C -0.345 175.992 176.300 0.062 0.000 1.621 325 D CA -0.649 53.382 54.000 0.051 0.000 0.785 325 D CB -0.890 39.927 40.800 0.027 0.000 1.233 325 D HN 0.092 nan 8.370 nan 0.000 0.447 326 N N 1.047 119.795 118.700 0.081 0.000 2.453 326 N HA 0.105 4.846 4.740 0.001 0.000 0.253 326 N C 0.206 175.772 175.510 0.093 0.000 1.252 326 N CA 0.029 53.131 53.050 0.087 0.000 0.917 326 N CB 0.415 38.966 38.487 0.107 0.000 1.117 326 N HN 0.177 nan 8.380 nan 0.000 0.442 327 N N 1.241 119.995 118.700 0.090 0.000 2.497 327 N HA 0.124 4.865 4.740 0.001 0.000 0.271 327 N C 1.054 176.641 175.510 0.128 0.000 1.142 327 N CA -0.040 53.068 53.050 0.095 0.000 0.965 327 N CB 0.890 39.425 38.487 0.081 0.000 1.077 327 N HN 0.574 nan 8.380 nan 0.000 0.462 328 I N -1.409 119.236 120.570 0.125 0.000 4.403 328 I HA 0.091 4.262 4.170 0.001 0.000 0.331 328 I C 1.717 177.909 176.117 0.124 0.000 1.327 328 I CA -0.205 61.176 61.300 0.135 0.000 1.175 328 I CB 0.102 38.175 38.000 0.121 0.000 1.165 328 I HN 0.295 nan 8.210 nan 0.000 0.413 329 S N 1.577 117.347 115.700 0.117 0.000 2.359 329 S HA -0.273 4.198 4.470 0.001 0.000 0.224 329 S C 1.821 176.489 174.600 0.114 0.000 1.035 329 S CA 1.484 59.741 58.200 0.095 0.000 1.018 329 S CB -1.252 61.998 63.200 0.085 0.000 0.876 329 S HN 0.791 nan 8.310 nan 0.000 0.448 330 W N 2.657 123.955 121.300 -0.003 0.000 2.354 330 W HA 0.022 4.683 4.660 0.001 0.000 0.315 330 W C 2.695 179.176 176.519 -0.064 0.000 1.206 330 W CA 1.804 59.135 57.345 -0.025 0.000 1.290 330 W CB -0.800 28.660 29.460 -0.002 0.000 1.152 330 W HN 0.382 nan 8.180 nan 0.000 0.489 331 A N 0.096 122.935 122.820 0.031 0.000 1.902 331 A HA -0.182 4.139 4.320 0.001 0.000 0.217 331 A C 1.939 179.359 177.584 -0.273 0.000 1.181 331 A CA 1.784 53.698 52.037 -0.206 0.000 0.623 331 A CB -1.222 17.876 19.000 0.163 0.000 0.818 331 A HN 0.443 nan 8.150 nan 0.000 0.443 332 L N -0.100 121.047 121.223 -0.127 0.000 2.017 332 L HA -0.108 4.233 4.340 0.001 0.000 0.208 332 L C 2.603 179.342 176.870 -0.219 0.000 1.073 332 L CA 2.635 57.399 54.840 -0.127 0.000 0.745 332 L CB -0.953 41.083 42.059 -0.039 0.000 0.894 332 L HN 0.362 nan 8.230 nan 0.000 0.432 333 S N -0.859 114.717 115.700 -0.206 0.000 2.353 333 S HA -0.189 4.282 4.470 0.001 0.000 0.222 333 S C 2.190 176.569 174.600 -0.369 0.000 1.035 333 S CA 1.026 59.132 58.200 -0.158 0.000 1.025 333 S CB -0.247 62.889 63.200 -0.107 0.000 0.902 333 S HN 0.467 nan 8.310 nan 0.000 0.440 334 R N 0.535 120.580 120.500 -0.757 0.000 2.091 334 R HA -0.040 4.300 4.340 0.001 0.000 0.238 334 R C 2.316 178.047 176.300 -0.948 0.000 1.136 334 R CA 1.201 56.590 56.100 -1.185 0.000 0.959 334 R CB -1.471 27.358 30.300 -2.451 0.000 0.856 334 R HN 0.469 nan 8.270 nan 0.000 0.437 335 L N 1.079 121.894 121.223 -0.681 0.000 1.994 335 L HA -0.102 4.239 4.340 0.001 0.000 0.208 335 L C 2.267 178.952 176.870 -0.307 0.000 1.071 335 L CA 1.558 56.229 54.840 -0.283 0.000 0.745 335 L CB -0.549 41.418 42.059 -0.153 0.000 0.892 335 L HN 0.061 nan 8.230 nan 0.000 0.431 336 L N -0.651 120.310 121.223 -0.436 0.000 2.046 336 L HA -0.207 4.133 4.340 0.001 0.000 0.208 336 L C 2.281 178.750 176.870 -0.668 0.000 1.077 336 L CA 1.549 55.999 54.840 -0.650 0.000 0.747 336 L CB -0.764 40.658 42.059 -1.060 0.000 0.896 336 L HN 0.345 nan 8.230 nan 0.000 0.432 337 D N -0.299 119.803 120.400 -0.497 0.000 2.178 337 D HA -0.082 4.558 4.640 0.001 0.000 0.202 337 D C 1.284 177.512 176.300 -0.121 0.000 0.974 337 D CA 0.441 54.353 54.000 -0.146 0.000 0.841 337 D CB 0.173 40.981 40.800 0.012 0.000 0.953 337 D HN 0.132 nan 8.370 nan 0.000 0.478 341 V N 1.060 120.975 119.914 0.001 0.000 2.490 341 V HA -0.071 4.050 4.120 0.001 0.000 0.250 341 V C 1.727 177.819 176.094 -0.004 0.000 1.061 341 V CA 2.850 65.155 62.300 0.008 0.000 1.064 341 V CB -0.351 31.475 31.823 0.006 0.000 0.670 341 V HN 0.572 nan 8.190 nan 0.000 0.461 342 T N -2.807 111.736 114.554 -0.019 0.000 3.186 342 T HA 0.179 4.530 4.350 0.001 0.000 0.257 342 T C 0.822 175.504 174.700 -0.031 0.000 1.029 342 T CA 0.374 62.459 62.100 -0.025 0.000 0.916 342 T CB -0.518 68.329 68.868 -0.034 0.000 1.041 342 T HN 0.491 nan 8.240 nan 0.000 0.562 343 N N 1.719 120.405 118.700 -0.024 0.000 2.735 343 N HA -0.172 4.568 4.740 0.001 0.000 0.248 343 N C -0.159 175.324 175.510 -0.046 0.000 1.083 343 N CA 0.823 53.858 53.050 -0.024 0.000 0.703 343 N CB -1.540 36.934 38.487 -0.021 0.000 1.005 343 N HN 0.802 nan 8.380 nan 0.000 0.550 344 E N -0.437 119.726 120.200 -0.061 0.000 2.685 344 E HA 0.130 4.481 4.350 0.001 0.000 0.208 344 E C -0.362 176.180 176.600 -0.098 0.000 0.996 344 E CA -0.583 55.763 56.400 -0.090 0.000 1.054 344 E CB 0.374 30.008 29.700 -0.111 0.000 1.075 344 E HN 0.262 nan 8.360 nan 0.000 0.460 345 L N 2.855 124.030 121.223 -0.080 0.000 2.319 345 L HA 0.293 4.633 4.340 0.001 0.000 0.280 345 L C -2.334 174.497 176.870 -0.065 0.000 1.099 345 L CA -1.798 52.987 54.840 -0.090 0.000 0.828 345 L CB 0.367 42.366 42.059 -0.099 0.000 1.150 345 L HN -0.097 nan 8.230 nan 0.000 0.442 346 P HA 0.169 nan 4.420 nan 0.000 0.279 346 P C -1.207 176.062 177.300 -0.052 0.000 1.276 346 P CA -0.747 62.331 63.100 -0.035 0.000 0.801 346 P CB 0.623 32.346 31.700 0.039 0.000 1.127 347 K N 0.054 120.391 120.400 -0.106 0.000 2.511 347 K HA 0.211 4.531 4.320 0.001 0.000 0.280 347 K C -0.027 176.531 176.600 -0.070 0.000 1.008 347 K CA 0.846 57.036 56.287 -0.161 0.000 1.050 347 K CB -0.370 31.823 32.500 -0.511 0.000 0.889 347 K HN 0.416 nan 8.250 nan 0.000 0.484 348 T N 3.539 118.114 114.554 0.036 0.000 2.921 348 T HA 0.447 4.798 4.350 0.001 0.000 0.297 348 T C -0.348 174.379 174.700 0.046 0.000 1.013 348 T CA -0.681 61.434 62.100 0.026 0.000 0.990 348 T CB 0.901 69.757 68.868 -0.020 0.000 1.023 348 T HN 0.336 nan 8.240 nan 0.000 0.447 349 I N 3.569 124.143 120.570 0.007 0.000 2.378 349 I HA 0.445 4.615 4.170 0.001 0.000 0.291 349 I C -0.625 175.381 176.117 -0.185 0.000 0.992 349 I CA -0.866 60.365 61.300 -0.114 0.000 1.154 349 I CB 1.459 39.371 38.000 -0.146 0.000 1.315 349 I HN 0.321 nan 8.210 nan 0.000 0.448 350 L N 6.852 127.955 121.223 -0.201 0.000 2.307 350 L HA 0.506 4.846 4.340 0.001 0.000 0.284 350 L C -1.257 175.529 176.870 -0.139 0.000 1.023 350 L CA -0.708 54.071 54.840 -0.102 0.000 0.810 350 L CB 1.078 43.134 42.059 -0.006 0.000 1.231 350 L HN 0.439 nan 8.230 nan 0.000 0.423 351 Y N 1.319 121.619 120.300 0.001 0.000 2.425 351 Y HA 0.492 5.042 4.550 0.001 0.000 0.344 351 Y C 0.023 176.100 175.900 0.296 0.000 0.969 351 Y CA -1.036 57.132 58.100 0.113 0.000 1.052 351 Y CB 1.939 40.230 38.460 -0.281 0.000 1.215 351 Y HN 0.593 nan 8.280 nan 0.000 0.451 352 C N 2.261 121.953 119.300 0.654 0.000 2.408 352 C HA 0.579 5.040 4.460 0.001 0.000 0.321 352 C C 0.821 176.231 174.990 0.700 0.000 1.245 352 C CA -0.839 58.531 59.018 0.585 0.000 1.523 352 C CB 0.475 28.447 27.740 0.387 0.000 2.178 352 C HN 1.035 nan 8.230 nan 0.000 0.488 353 L N 2.023 123.623 121.223 0.628 0.000 2.270 353 L HA 0.239 4.580 4.340 0.001 0.000 0.210 353 L C 0.981 177.969 176.870 0.198 0.000 1.104 353 L CA 1.367 56.403 54.840 0.327 0.000 0.804 353 L CB -0.520 41.566 42.059 0.046 0.000 0.937 353 L HN 0.894 nan 8.230 nan 0.000 0.450 354 N N 0.383 119.205 118.700 0.204 0.000 2.439 354 N HA 0.175 4.916 4.740 0.001 0.000 0.249 354 N C -1.946 173.665 175.510 0.168 0.000 1.003 354 N CA -2.164 50.965 53.050 0.131 0.000 0.942 354 N CB 1.384 39.929 38.487 0.097 0.000 1.115 354 N HN 0.026 nan 8.380 nan 0.000 0.505 355 P HA -0.132 nan 4.420 nan 0.000 0.228 355 P C 0.819 178.203 177.300 0.140 0.000 1.151 355 P CA 0.726 63.935 63.100 0.181 0.000 0.770 355 P CB 0.176 31.972 31.700 0.160 0.000 0.786 356 R N -0.007 120.555 120.500 0.103 0.000 2.237 356 R HA -0.044 4.296 4.340 0.001 0.000 0.219 356 R C 0.736 177.081 176.300 0.075 0.000 1.080 356 R CA 1.185 57.331 56.100 0.077 0.000 0.995 356 R CB -0.823 29.512 30.300 0.058 0.000 0.875 356 R HN 0.010 nan 8.270 nan 0.000 0.462 357 D N 0.402 120.860 120.400 0.096 0.000 2.339 357 D HA 0.017 4.658 4.640 0.001 0.000 0.217 357 D C 0.617 176.935 176.300 0.030 0.000 1.050 357 D CA 0.037 54.079 54.000 0.070 0.000 0.856 357 D CB 0.009 40.870 40.800 0.101 0.000 0.922 357 D HN 0.203 nan 8.370 nan 0.000 0.518 358 N N 1.349 120.106 118.700 0.094 0.000 2.060 358 N HA -0.186 4.555 4.740 0.001 0.000 0.195 358 N C 1.566 176.992 175.510 -0.140 0.000 1.028 358 N CA 1.190 54.299 53.050 0.098 0.000 0.861 358 N CB -0.110 38.535 38.487 0.264 0.000 1.029 358 N HN 0.282 nan 8.380 nan 0.000 0.428 359 E N 0.047 120.217 120.200 -0.050 0.000 2.152 359 E HA -0.010 4.341 4.350 0.001 0.000 0.192 359 E C 2.109 178.637 176.600 -0.120 0.000 0.983 359 E CA 0.211 56.568 56.400 -0.072 0.000 0.818 359 E CB -0.224 29.467 29.700 -0.015 0.000 0.758 359 E HN 0.061 nan 8.360 nan 0.000 0.467 360 V N 0.594 120.448 119.914 -0.099 0.000 2.287 360 V HA -0.257 3.863 4.120 0.001 0.000 0.248 360 V C 2.009 178.005 176.094 -0.163 0.000 1.053 360 V CA 1.480 63.727 62.300 -0.088 0.000 1.027 360 V CB -0.374 31.428 31.823 -0.035 0.000 0.646 360 V HN 0.207 nan 8.190 nan 0.000 0.447 361 L N 0.158 121.202 121.223 -0.298 0.000 2.109 361 L HA -0.018 4.322 4.340 0.001 0.000 0.207 361 L C 2.562 179.104 176.870 -0.547 0.000 1.086 361 L CA 2.065 56.639 54.840 -0.443 0.000 0.760 361 L CB -1.128 40.545 42.059 -0.642 0.000 0.910 361 L HN 0.275 nan 8.230 nan 0.000 0.437 362 A N -1.102 121.311 122.820 -0.678 0.000 1.972 362 A HA -0.098 4.223 4.320 0.001 0.000 0.219 362 A C 1.528 179.017 177.584 -0.159 0.000 1.169 362 A CA 1.661 53.468 52.037 -0.383 0.000 0.635 362 A CB -1.112 17.775 19.000 -0.188 0.000 0.810 362 A HN 0.474 nan 8.150 nan 0.000 0.446 366 G N 1.905 110.694 108.800 -0.017 0.000 2.509 366 G HA2 -0.111 3.850 3.960 0.001 0.000 0.218 366 G HA3 -0.111 3.850 3.960 0.001 0.000 0.218 366 G C 0.966 175.793 174.900 -0.122 0.000 1.124 366 G CA 1.102 46.172 45.100 -0.050 0.000 0.776 366 G HN 0.426 nan 8.290 nan 0.000 0.547 367 N N 0.030 118.598 118.700 -0.220 0.000 2.446 367 N HA 0.050 4.790 4.740 0.001 0.000 0.179 367 N C 0.213 175.264 175.510 -0.764 0.000 1.054 367 N CA 0.462 53.185 53.050 -0.546 0.000 0.905 367 N CB 0.016 37.987 38.487 -0.860 0.000 0.973 367 N HN 0.362 nan 8.380 nan 0.000 0.448 368 F N 0.607 120.531 119.950 -0.044 0.000 2.814 368 F HA 0.312 4.840 4.527 0.001 0.000 0.326 368 F C 0.521 176.304 175.800 -0.028 0.000 1.159 368 F CA -0.654 57.322 58.000 -0.041 0.000 1.234 368 F CB 0.161 39.131 39.000 -0.050 0.000 1.016 368 F HN -0.306 nan 8.300 nan 0.000 0.510 369 Q N 1.022 120.870 119.800 0.080 0.000 2.492 369 Q HA 0.527 4.867 4.340 0.001 0.000 0.238 369 Q C 0.519 176.547 176.000 0.046 0.000 1.045 369 Q CA 0.138 55.977 55.803 0.060 0.000 0.934 369 Q CB 1.366 30.121 28.738 0.028 0.000 1.276 369 Q HN 0.436 nan 8.270 nan 0.000 0.521 370 G N 0.932 109.756 108.800 0.039 0.000 2.642 370 G HA2 0.634 4.594 3.960 0.001 0.000 0.293 370 G HA3 0.634 4.594 3.960 0.001 0.000 0.293 370 G C -2.625 172.285 174.900 0.016 0.000 1.341 370 G CA -1.021 44.093 45.100 0.024 0.000 0.916 370 G HN 0.391 nan 8.290 nan 0.000 0.474 371 P HA 0.360 nan 4.420 nan 0.000 0.274 371 P C 0.860 178.162 177.300 0.004 0.000 1.237 371 P CA 0.906 64.008 63.100 0.005 0.000 0.793 371 P CB 1.245 32.945 31.700 -0.000 0.000 0.977 372 G N 0.361 109.164 108.800 0.005 0.000 2.155 372 G HA2 -0.247 3.713 3.960 0.001 0.000 0.257 372 G HA3 -0.247 3.713 3.960 0.001 0.000 0.257 372 G C -0.072 174.833 174.900 0.009 0.000 0.983 372 G CA 0.418 45.521 45.100 0.005 0.000 0.676 372 G HN 0.706 nan 8.290 nan 0.000 0.528 373 I N -0.502 120.079 120.570 0.018 0.000 2.692 373 I HA 0.642 4.813 4.170 0.001 0.000 0.293 373 I C 0.018 176.166 176.117 0.052 0.000 1.200 373 I CA -0.868 60.451 61.300 0.032 0.000 1.036 373 I CB 1.749 39.762 38.000 0.022 0.000 1.258 373 I HN 0.337 nan 8.210 nan 0.000 0.421 374 A N 5.369 128.229 122.820 0.068 0.000 2.805 374 A HA 0.567 4.887 4.320 0.001 0.000 0.301 374 A C 0.757 178.387 177.584 0.078 0.000 1.557 374 A CA 0.473 52.549 52.037 0.065 0.000 1.254 374 A CB -1.006 18.029 19.000 0.059 0.000 1.114 374 A HN 1.638 nan 8.150 nan 0.000 0.553 375 G N 2.169 111.011 108.800 0.070 0.000 2.545 375 G HA2 -0.227 3.733 3.960 0.001 0.000 0.279 375 G HA3 -0.227 3.733 3.960 0.001 0.000 0.279 375 G C 0.681 175.660 174.900 0.133 0.000 1.131 375 G CA 0.393 45.531 45.100 0.063 0.000 1.100 375 G HN 0.932 nan 8.290 nan 0.000 0.525 376 K N -0.994 119.490 120.400 0.139 0.000 2.044 376 K HA -0.017 4.303 4.320 0.001 0.000 0.210 376 K C 1.061 177.777 176.600 0.193 0.000 1.049 376 K CA 1.883 58.270 56.287 0.166 0.000 0.927 376 K CB -0.045 32.501 32.500 0.076 0.000 0.713 376 K HN 0.452 nan 8.250 nan 0.000 0.443 377 V N 2.683 122.668 119.914 0.118 0.000 2.398 377 V HA 0.231 4.352 4.120 0.001 0.000 0.286 377 V C -0.469 175.653 176.094 0.048 0.000 1.026 377 V CA -0.753 61.600 62.300 0.088 0.000 0.868 377 V CB 1.447 33.325 31.823 0.091 0.000 0.982 377 V HN 0.219 nan 8.190 nan 0.000 0.443 378 Q N 3.010 122.815 119.800 0.008 0.000 2.348 378 Q HA 0.505 4.845 4.340 0.001 0.000 0.271 378 Q C -1.220 174.809 176.000 0.048 0.000 1.067 378 Q CA -0.702 55.090 55.803 -0.020 0.000 0.839 378 Q CB 3.098 31.727 28.738 -0.181 0.000 1.354 378 Q HN 0.653 nan 8.270 nan 0.000 0.447 379 F N 1.195 121.087 119.950 -0.097 0.000 2.361 379 F HA 0.511 5.039 4.527 0.001 0.000 0.364 379 F C 0.283 176.027 175.800 -0.092 0.000 1.120 379 F CA -1.147 56.778 58.000 -0.124 0.000 1.102 379 F CB 0.587 39.527 39.000 -0.099 0.000 1.183 379 F HN 0.534 nan 8.300 nan 0.000 0.476 380 G N 3.456 112.091 108.800 -0.275 0.000 2.554 380 G HA2 0.218 4.178 3.960 0.001 0.000 0.238 380 G HA3 0.218 4.178 3.960 0.001 0.000 0.238 380 G C -0.140 174.698 174.900 -0.103 0.000 1.259 380 G CA -0.385 44.478 45.100 -0.395 0.000 0.843 380 G HN 0.780 nan 8.290 nan 0.000 0.582 381 S N -0.193 115.691 115.700 0.306 0.000 2.566 381 S HA 0.350 4.820 4.470 0.001 0.000 0.280 381 S C 1.344 176.134 174.600 0.316 0.000 1.343 381 S CA 0.167 58.575 58.200 0.347 0.000 1.036 381 S CB 0.024 63.397 63.200 0.288 0.000 0.866 381 S HN 1.221 nan 8.310 nan 0.000 0.526 382 G N 3.175 112.135 108.800 0.267 0.000 2.093 382 G HA2 -0.024 3.937 3.960 0.001 0.000 0.257 382 G HA3 -0.024 3.937 3.960 0.001 0.000 0.257 382 G C -0.536 174.652 174.900 0.481 0.000 1.004 382 G CA -0.102 45.199 45.100 0.335 0.000 0.949 382 G HN 0.675 nan 8.290 nan 0.000 0.400 383 W N 5.564 127.078 121.300 0.357 0.000 2.390 383 W HA 0.533 5.194 4.660 0.001 0.000 0.312 383 W C 0.441 177.231 176.519 0.452 0.000 1.123 383 W CA -1.735 55.843 57.345 0.388 0.000 1.202 383 W CB 0.254 29.992 29.460 0.464 0.000 1.251 383 W HN 0.738 nan 8.180 nan 0.000 0.511 384 W N 4.338 125.630 121.300 -0.015 0.000 2.388 384 W HA -0.466 4.194 4.660 0.001 0.000 0.302 384 W C 1.420 177.894 176.519 -0.075 0.000 1.799 384 W CA 2.287 59.447 57.345 -0.308 0.000 1.908 384 W CB -2.160 26.688 29.460 -1.019 0.000 0.927 384 W HN 0.442 nan 8.180 nan 0.000 0.459 385 F N 1.790 121.836 119.950 0.160 0.000 2.269 385 F HA -0.143 4.384 4.527 0.001 0.000 0.301 385 F C 2.169 178.074 175.800 0.176 0.000 1.082 385 F CA 2.168 60.234 58.000 0.110 0.000 1.360 385 F CB -0.889 37.993 39.000 -0.197 0.000 1.041 385 F HN 0.069 nan 8.300 nan 0.000 0.512 386 N N -0.314 118.594 118.700 0.346 0.000 2.412 386 N HA -0.083 4.658 4.740 0.001 0.000 0.184 386 N C 0.248 175.954 175.510 0.326 0.000 1.101 386 N CA 0.419 53.656 53.050 0.311 0.000 0.881 386 N CB -0.237 38.437 38.487 0.311 0.000 0.969 386 N HN 0.192 nan 8.380 nan 0.000 0.459 387 D N 2.020 122.637 120.400 0.360 0.000 2.608 387 D HA 0.043 4.684 4.640 0.001 0.000 0.224 387 D C -0.373 176.192 176.300 0.442 0.000 1.123 387 D CA 0.030 54.250 54.000 0.366 0.000 1.030 387 D CB -0.294 40.694 40.800 0.315 0.000 1.093 387 D HN 0.178 nan 8.370 nan 0.000 0.497 388 Q N -0.246 119.792 119.800 0.396 0.000 2.737 388 Q HA 0.287 4.628 4.340 0.001 0.000 0.307 388 Q C 0.766 176.928 176.000 0.270 0.000 0.905 388 Q CA -0.998 55.073 55.803 0.447 0.000 0.753 388 Q CB 0.540 29.479 28.738 0.336 0.000 1.463 388 Q HN -0.127 nan 8.270 nan 0.000 0.455 389 K N 0.301 120.827 120.400 0.209 0.000 2.020 389 K HA -0.304 4.017 4.320 0.001 0.000 0.212 389 K C 1.162 177.782 176.600 0.033 0.000 1.050 389 K CA 2.507 58.796 56.287 0.003 0.000 0.929 389 K CB -0.363 32.128 32.500 -0.015 0.000 0.714 389 K HN 0.788 nan 8.250 nan 0.000 0.443 390 D N -0.486 119.961 120.400 0.077 0.000 2.097 390 D HA -0.056 4.585 4.640 0.001 0.000 0.195 390 D C 0.933 177.288 176.300 0.093 0.000 0.989 390 D CA 1.261 55.303 54.000 0.070 0.000 0.827 390 D CB -0.356 40.490 40.800 0.076 0.000 0.966 390 D HN 0.368 nan 8.370 nan 0.000 0.456 394 R N 0.489 121.033 120.500 0.073 0.000 2.073 394 R HA -0.098 4.243 4.340 0.001 0.000 0.229 394 R C 2.009 178.380 176.300 0.118 0.000 1.120 394 R CA 1.464 57.623 56.100 0.100 0.000 0.967 394 R CB -0.141 30.227 30.300 0.112 0.000 0.862 394 R HN 0.239 nan 8.270 nan 0.000 0.436 395 Q N 1.312 121.169 119.800 0.096 0.000 2.084 395 Q HA -0.129 4.211 4.340 0.001 0.000 0.202 395 Q C 2.055 178.023 176.000 -0.053 0.000 0.978 395 Q CA 1.559 57.373 55.803 0.018 0.000 0.844 395 Q CB -0.059 28.611 28.738 -0.112 0.000 0.898 395 Q HN 0.382 nan 8.270 nan 0.000 0.426 396 L N 0.718 121.920 121.223 -0.035 0.000 2.046 396 L HA -0.186 4.154 4.340 0.001 0.000 0.208 396 L C 2.580 179.484 176.870 0.056 0.000 1.077 396 L CA 1.542 56.354 54.840 -0.047 0.000 0.747 396 L CB -0.387 41.655 42.059 -0.027 0.000 0.896 396 L HN 0.221 nan 8.230 nan 0.000 0.432 397 E N -0.299 119.965 120.200 0.107 0.000 2.077 397 E HA -0.225 4.126 4.350 0.001 0.000 0.193 397 E C 2.251 178.929 176.600 0.130 0.000 0.989 397 E CA 1.238 57.736 56.400 0.163 0.000 0.800 397 E CB 0.075 29.864 29.700 0.148 0.000 0.746 397 E HN 0.313 nan 8.360 nan 0.000 0.452 398 Q N -0.168 119.717 119.800 0.141 0.000 2.083 398 Q HA -0.088 4.252 4.340 0.001 0.000 0.198 398 Q C 2.258 178.351 176.000 0.155 0.000 0.969 398 Q CA 0.834 56.731 55.803 0.156 0.000 0.838 398 Q CB -0.666 28.204 28.738 0.221 0.000 0.900 398 Q HN 0.321 nan 8.270 nan 0.000 0.436 399 L N 0.899 122.225 121.223 0.172 0.000 2.042 399 L HA -0.124 4.217 4.340 0.001 0.000 0.210 399 L C 2.034 178.929 176.870 0.042 0.000 1.076 399 L CA 1.847 56.745 54.840 0.097 0.000 0.749 399 L CB -0.831 41.139 42.059 -0.149 0.000 0.893 399 L HN 0.015 nan 8.230 nan 0.000 0.432 400 S N -0.696 115.040 115.700 0.059 0.000 2.368 400 S HA -0.089 4.382 4.470 0.001 0.000 0.224 400 S C 1.065 175.676 174.600 0.020 0.000 1.029 400 S CA 0.505 58.750 58.200 0.075 0.000 0.988 400 S CB -0.278 63.041 63.200 0.198 0.000 0.838 400 S HN 0.506 nan 8.310 nan 0.000 0.462 404 L N 1.713 122.953 121.223 0.028 0.000 2.324 404 L HA 0.344 4.684 4.340 0.001 0.000 0.274 404 L C 1.324 178.231 176.870 0.063 0.000 1.012 404 L CA -0.635 54.229 54.840 0.040 0.000 0.859 404 L CB 1.645 43.728 42.059 0.040 0.000 1.224 404 L HN 0.498 nan 8.230 nan 0.000 0.429 405 L N 2.897 124.165 121.223 0.075 0.000 2.079 405 L HA -0.197 4.144 4.340 0.001 0.000 0.210 405 L C 2.581 179.554 176.870 0.172 0.000 1.081 405 L CA 2.354 57.261 54.840 0.113 0.000 0.752 405 L CB -0.226 41.924 42.059 0.153 0.000 0.896 405 L HN 0.808 nan 8.230 nan 0.000 0.433 406 S N -1.423 114.357 115.700 0.134 0.000 2.440 406 S HA -0.258 4.213 4.470 0.001 0.000 0.238 406 S C 1.662 176.337 174.600 0.125 0.000 1.010 406 S CA 1.393 59.667 58.200 0.124 0.000 0.972 406 S CB -0.607 62.645 63.200 0.087 0.000 0.774 406 S HN 0.744 nan 8.310 nan 0.000 0.501 407 Q N -0.231 119.642 119.800 0.122 0.000 2.247 407 Q HA 0.330 4.671 4.340 0.001 0.000 0.204 407 Q C -0.546 175.529 176.000 0.125 0.000 0.872 407 Q CA -0.533 55.327 55.803 0.096 0.000 0.951 407 Q CB 0.140 28.915 28.738 0.062 0.000 1.099 407 Q HN 0.572 nan 8.270 nan 0.000 0.501 408 F N 1.836 121.784 119.950 -0.004 0.000 2.578 408 F HA -0.048 4.480 4.527 0.001 0.000 0.381 408 F C 1.302 177.078 175.800 -0.039 0.000 1.069 408 F CA -0.640 57.346 58.000 -0.023 0.000 1.231 408 F CB 0.785 39.820 39.000 0.059 0.000 1.086 408 F HN -0.127 nan 8.300 nan 0.000 0.564 409 V N 4.141 123.857 119.914 -0.330 0.000 2.720 409 V HA 0.209 4.329 4.120 0.001 0.000 0.256 409 V C 1.202 176.972 176.094 -0.539 0.000 1.082 409 V CA 0.785 62.810 62.300 -0.459 0.000 1.101 409 V CB -1.768 29.689 31.823 -0.610 0.000 0.693 409 V HN 1.529 nan 8.190 nan 0.000 0.479 413 T N -3.637 110.741 114.554 -0.293 0.000 2.896 413 T HA 0.007 4.358 4.350 0.001 0.000 0.263 413 T C 0.868 175.435 174.700 -0.222 0.000 1.050 413 T CA 1.235 63.177 62.100 -0.264 0.000 1.140 413 T CB -0.356 68.346 68.868 -0.278 0.000 0.877 413 T HN 1.094 nan 8.240 nan 0.000 0.457 414 D N 0.599 120.863 120.400 -0.225 0.000 2.911 414 D HA -0.159 4.482 4.640 0.001 0.000 0.227 414 D C -0.277 175.941 176.300 -0.136 0.000 1.164 414 D CA 0.896 54.806 54.000 -0.150 0.000 0.782 414 D CB -1.444 39.378 40.800 0.036 0.000 1.094 414 D HN 0.596 nan 8.370 nan 0.000 0.425 415 S N -1.513 114.032 115.700 -0.258 0.000 2.607 415 S HA 0.672 5.143 4.470 0.001 0.000 0.303 415 S C 0.965 175.359 174.600 -0.344 0.000 1.086 415 S CA -0.290 57.713 58.200 -0.328 0.000 0.995 415 S CB 1.254 64.211 63.200 -0.405 0.000 1.084 415 S HN 0.322 nan 8.310 nan 0.000 0.507 416 R N 1.086 121.361 120.500 -0.374 0.000 2.362 416 R HA 0.365 4.705 4.340 0.001 0.000 0.227 416 R C 0.381 176.412 176.300 -0.448 0.000 0.905 416 R CA -0.211 55.671 56.100 -0.364 0.000 1.067 416 R CB 0.002 30.123 30.300 -0.297 0.000 1.078 416 R HN 0.298 nan 8.270 nan 0.000 0.516 417 S N -0.051 115.365 115.700 -0.473 0.000 2.489 417 S HA 0.305 4.776 4.470 0.001 0.000 0.291 417 S C 0.128 174.417 174.600 -0.518 0.000 1.151 417 S CA -0.895 57.055 58.200 -0.417 0.000 1.082 417 S CB 0.455 63.468 63.200 -0.313 0.000 1.019 417 S HN 0.275 nan 8.310 nan 0.000 0.492 418 F N 3.111 122.947 119.950 -0.189 0.000 2.604 418 F HA 0.208 4.735 4.527 0.001 0.000 0.298 418 F C 1.421 177.125 175.800 -0.160 0.000 1.131 418 F CA 0.506 58.425 58.000 -0.135 0.000 1.457 418 F CB -0.062 38.942 39.000 0.007 0.000 1.095 418 F HN 0.485 nan 8.300 nan 0.000 0.574 419 L N -0.530 120.651 121.223 -0.071 0.000 2.628 419 L HA 0.056 4.397 4.340 0.001 0.000 0.229 419 L C 2.066 178.856 176.870 -0.134 0.000 1.137 419 L CA 0.310 55.122 54.840 -0.047 0.000 0.909 419 L CB -0.455 41.631 42.059 0.044 0.000 1.137 419 L HN 0.133 nan 8.230 nan 0.000 0.470 420 S N -1.745 113.749 115.700 -0.344 0.000 2.527 420 S HA -0.101 4.370 4.470 0.001 0.000 0.222 420 S C 1.628 176.050 174.600 -0.297 0.000 0.985 420 S CA 0.170 58.129 58.200 -0.401 0.000 0.921 420 S CB -0.358 62.525 63.200 -0.528 0.000 0.772 420 S HN 0.389 nan 8.310 nan 0.000 0.529 421 Y N 3.407 123.707 120.300 -0.000 0.000 2.483 421 Y HA -0.072 4.479 4.550 0.001 0.000 0.291 421 Y C 2.864 178.846 175.900 0.138 0.000 1.143 421 Y CA 1.085 59.236 58.100 0.084 0.000 1.289 421 Y CB -1.494 36.976 38.460 0.016 0.000 0.983 421 Y HN 0.500 nan 8.280 nan 0.000 0.556 422 T N -2.272 112.397 114.554 0.192 0.000 3.007 422 T HA -0.118 4.233 4.350 0.001 0.000 0.270 422 T C 1.770 176.614 174.700 0.240 0.000 1.107 422 T CA 0.730 62.956 62.100 0.209 0.000 1.118 422 T CB -0.189 68.779 68.868 0.167 0.000 0.889 422 T HN 0.334 nan 8.240 nan 0.000 0.506 423 R N 0.161 120.745 120.500 0.139 0.000 2.148 423 R HA -0.016 4.324 4.340 0.001 0.000 0.227 423 R C 2.468 178.902 176.300 0.223 0.000 1.103 423 R CA 1.146 57.331 56.100 0.142 0.000 0.983 423 R CB -0.347 29.904 30.300 -0.082 0.000 0.874 423 R HN 0.585 nan 8.270 nan 0.000 0.451 424 H N 0.136 119.337 119.070 0.219 0.000 2.357 424 H HA -0.103 4.453 4.556 0.001 0.000 0.301 424 H C 1.955 177.501 175.328 0.363 0.000 1.082 424 H CA 1.347 57.551 56.048 0.260 0.000 1.342 424 H CB 0.158 30.042 29.762 0.204 0.000 1.389 424 H HN 0.362 nan 8.280 nan 0.000 0.511 425 E N 0.424 120.896 120.200 0.452 0.000 2.058 425 E HA -0.231 4.120 4.350 0.001 0.000 0.194 425 E C 2.046 178.895 176.600 0.415 0.000 0.997 425 E CA 0.969 57.625 56.400 0.427 0.000 0.801 425 E CB -0.166 29.753 29.700 0.365 0.000 0.746 425 E HN 0.316 nan 8.360 nan 0.000 0.450 426 Y N 0.380 120.845 120.300 0.276 0.000 2.097 426 Y HA -0.272 4.279 4.550 0.001 0.000 0.282 426 Y C 2.035 178.049 175.900 0.190 0.000 1.152 426 Y CA 2.020 60.261 58.100 0.234 0.000 1.136 426 Y CB -0.880 37.774 38.460 0.324 0.000 0.975 426 Y HN 0.209 nan 8.280 nan 0.000 0.498 427 F N 0.794 120.850 119.950 0.177 0.000 2.069 427 F HA -0.247 4.280 4.527 0.001 0.000 0.298 427 F C 2.385 178.223 175.800 0.063 0.000 1.113 427 F CA 2.188 60.228 58.000 0.067 0.000 1.214 427 F CB -0.512 38.541 39.000 0.088 0.000 0.978 427 F HN -0.092 nan 8.300 nan 0.000 0.474 428 R N -0.014 120.620 120.500 0.223 0.000 2.105 428 R HA -0.144 4.196 4.340 0.001 0.000 0.239 428 R C 2.365 178.687 176.300 0.037 0.000 1.135 428 R CA 1.755 57.947 56.100 0.153 0.000 0.967 428 R CB -0.389 30.159 30.300 0.414 0.000 0.861 428 R HN 0.338 nan 8.270 nan 0.000 0.442 429 R N 0.372 120.829 120.500 -0.071 0.000 2.066 429 R HA -0.068 4.273 4.340 0.001 0.000 0.232 429 R C 2.327 178.423 176.300 -0.341 0.000 1.131 429 R CA 1.379 57.274 56.100 -0.342 0.000 0.955 429 R CB -0.368 29.646 30.300 -0.477 0.000 0.851 429 R HN 0.201 nan 8.270 nan 0.000 0.432 430 I N 0.680 121.019 120.570 -0.384 0.000 2.163 430 I HA -0.304 3.867 4.170 0.001 0.000 0.243 430 I C 2.385 178.259 176.117 -0.404 0.000 1.085 430 I CA 0.983 62.036 61.300 -0.412 0.000 1.347 430 I CB -0.288 37.454 38.000 -0.429 0.000 1.044 430 I HN 0.141 nan 8.210 nan 0.000 0.408 431 L N 0.526 121.453 121.223 -0.493 0.000 2.012 431 L HA -0.256 4.085 4.340 0.001 0.000 0.210 431 L C 2.553 179.243 176.870 -0.300 0.000 1.073 431 L CA 1.983 56.551 54.840 -0.453 0.000 0.748 431 L CB -0.617 41.108 42.059 -0.557 0.000 0.891 431 L HN 0.307 nan 8.230 nan 0.000 0.431 432 C N -0.421 118.760 119.300 -0.199 0.000 2.425 432 C HA -0.117 4.343 4.460 0.001 0.000 0.277 432 C C 2.605 177.497 174.990 -0.164 0.000 1.280 432 C CA 1.150 60.102 59.018 -0.111 0.000 1.744 432 C CB -1.590 26.163 27.740 0.021 0.000 1.989 432 C HN 0.736 nan 8.230 nan 0.000 0.491 433 N N 0.613 119.178 118.700 -0.225 0.000 2.188 433 N HA -0.092 4.649 4.740 0.001 0.000 0.184 433 N C 1.507 176.837 175.510 -0.300 0.000 1.018 433 N CA 0.829 53.739 53.050 -0.232 0.000 0.858 433 N CB -0.264 38.071 38.487 -0.254 0.000 0.989 433 N HN 0.350 nan 8.380 nan 0.000 0.426 434 L N 0.546 121.522 121.223 -0.411 0.000 1.994 434 L HA -0.006 4.334 4.340 0.001 0.000 0.208 434 L C 1.883 178.232 176.870 -0.869 0.000 1.071 434 L CA 1.542 55.977 54.840 -0.675 0.000 0.745 434 L CB -0.697 40.924 42.059 -0.729 0.000 0.892 434 L HN 0.266 nan 8.230 nan 0.000 0.431 435 L N -0.865 120.016 121.223 -0.569 0.000 2.046 435 L HA -0.117 4.223 4.340 0.001 0.000 0.208 435 L C 2.511 179.311 176.870 -0.117 0.000 1.077 435 L CA 1.235 55.895 54.840 -0.299 0.000 0.747 435 L CB -1.381 40.605 42.059 -0.122 0.000 0.896 435 L HN 0.473 nan 8.230 nan 0.000 0.432 436 G N -0.888 107.836 108.800 -0.127 0.000 2.418 436 G HA2 -0.319 3.641 3.960 0.001 0.000 0.217 436 G HA3 -0.319 3.641 3.960 0.001 0.000 0.217 436 G C 1.530 176.413 174.900 -0.028 0.000 1.158 436 G CA 0.616 45.687 45.100 -0.048 0.000 0.771 436 G HN 0.258 nan 8.290 nan 0.000 0.545 437 Q N -0.434 119.310 119.800 -0.094 0.000 2.079 437 Q HA -0.054 4.287 4.340 0.001 0.000 0.200 437 Q C 2.267 178.337 176.000 0.117 0.000 0.974 437 Q CA 1.298 57.084 55.803 -0.029 0.000 0.840 437 Q CB -0.342 28.341 28.738 -0.092 0.000 0.898 437 Q HN 0.604 nan 8.270 nan 0.000 0.430 438 W N 0.055 121.348 121.300 -0.012 0.000 2.363 438 W HA 0.003 4.664 4.660 0.001 0.000 0.296 438 W C 2.238 178.755 176.519 -0.004 0.000 1.212 438 W CA 1.095 58.435 57.345 -0.008 0.000 1.260 438 W CB -1.268 28.186 29.460 -0.009 0.000 1.131 438 W HN 0.335 nan 8.180 nan 0.000 0.530 439 A N 0.039 122.995 122.820 0.227 0.000 1.873 439 A HA -0.243 4.077 4.320 0.001 0.000 0.215 439 A C 2.030 179.670 177.584 0.094 0.000 1.186 439 A CA 1.962 54.080 52.037 0.134 0.000 0.616 439 A CB -1.101 17.958 19.000 0.098 0.000 0.823 439 A HN 0.375 nan 8.150 nan 0.000 0.442 440 Q N -0.424 119.425 119.800 0.082 0.000 2.124 440 Q HA -0.209 4.132 4.340 0.001 0.000 0.202 440 Q C 0.508 176.544 176.000 0.061 0.000 0.977 440 Q CA 1.796 57.634 55.803 0.060 0.000 0.850 440 Q CB -0.129 28.635 28.738 0.044 0.000 0.901 440 Q HN 0.533 nan 8.270 nan 0.000 0.429 441 D N -0.829 119.621 120.400 0.083 0.000 2.349 441 D HA 0.104 4.745 4.640 0.001 0.000 0.224 441 D C 0.616 176.949 176.300 0.055 0.000 1.029 441 D CA 0.924 54.967 54.000 0.071 0.000 0.879 441 D CB 0.208 41.064 40.800 0.094 0.000 0.906 441 D HN 0.498 nan 8.370 nan 0.000 0.528 442 G N 1.312 110.145 108.800 0.056 0.000 2.176 442 G HA2 -0.342 3.619 3.960 0.001 0.000 0.252 442 G HA3 -0.342 3.619 3.960 0.001 0.000 0.252 442 G C 0.767 175.678 174.900 0.018 0.000 1.024 442 G CA 0.271 45.393 45.100 0.035 0.000 0.755 442 G HN 0.406 nan 8.290 nan 0.000 0.507 443 E N -0.808 119.408 120.200 0.027 0.000 2.415 443 E HA 0.302 4.653 4.350 0.001 0.000 0.197 443 E C 1.397 177.964 176.600 -0.055 0.000 1.007 443 E CA 0.897 57.269 56.400 -0.046 0.000 0.890 443 E CB 0.406 30.039 29.700 -0.112 0.000 0.891 443 E HN 0.892 nan 8.360 nan 0.000 0.496 444 I N -2.561 118.028 120.570 0.030 0.000 2.994 444 I HA 0.516 4.687 4.170 0.001 0.000 0.306 444 I C -2.947 173.202 176.117 0.053 0.000 1.195 444 I CA -3.210 58.115 61.300 0.041 0.000 1.001 444 I CB 1.964 40.032 38.000 0.113 0.000 1.244 444 I HN -0.354 nan 8.210 nan 0.000 0.437 445 P HA 0.108 nan 4.420 nan 0.000 0.268 445 P C -0.986 176.341 177.300 0.046 0.000 1.204 445 P CA 0.184 63.305 63.100 0.035 0.000 0.768 445 P CB 0.366 32.080 31.700 0.024 0.000 0.842 446 D N 2.219 122.644 120.400 0.042 0.000 2.619 446 D HA 0.023 4.663 4.640 0.001 0.000 0.224 446 D C -0.831 175.489 176.300 0.034 0.000 1.133 446 D CA 0.049 54.075 54.000 0.044 0.000 1.017 446 D CB -0.763 40.063 40.800 0.043 0.000 1.077 446 D HN 0.113 nan 8.370 nan 0.000 0.503 447 D N 2.094 122.511 120.400 0.028 0.000 2.453 447 D HA 0.027 4.668 4.640 0.001 0.000 0.238 447 D C 0.845 177.147 176.300 0.003 0.000 1.088 447 D CA -0.332 53.678 54.000 0.017 0.000 0.854 447 D CB 1.234 42.042 40.800 0.013 0.000 1.076 447 D HN 0.380 nan 8.370 nan 0.000 0.533 448 E N 2.819 123.024 120.200 0.008 0.000 2.118 448 E HA -0.138 4.212 4.350 0.001 0.000 0.195 448 E C 0.784 177.329 176.600 -0.091 0.000 0.992 448 E CA 0.683 57.075 56.400 -0.014 0.000 0.804 448 E CB 0.223 29.953 29.700 0.050 0.000 0.741 448 E HN 0.567 nan 8.360 nan 0.000 0.458 452 S N 0.895 116.418 115.700 -0.294 0.000 2.368 452 S HA -0.130 4.341 4.470 0.001 0.000 0.224 452 S C 1.271 175.697 174.600 -0.289 0.000 1.029 452 S CA 0.737 58.590 58.200 -0.579 0.000 0.988 452 S CB -0.206 62.190 63.200 -1.340 0.000 0.838 452 S HN 0.349 nan 8.310 nan 0.000 0.462 456 Q N 0.544 120.401 119.800 0.094 0.000 2.119 456 Q HA -0.196 4.145 4.340 0.001 0.000 0.201 456 Q C 1.585 177.686 176.000 0.169 0.000 0.972 456 Q CA 1.936 57.821 55.803 0.136 0.000 0.847 456 Q CB -0.062 28.742 28.738 0.111 0.000 0.903 456 Q HN 0.645 nan 8.270 nan 0.000 0.433 457 D N 0.772 121.252 120.400 0.132 0.000 2.097 457 D HA -0.133 4.508 4.640 0.001 0.000 0.195 457 D C 1.847 178.235 176.300 0.146 0.000 0.989 457 D CA 1.065 55.144 54.000 0.132 0.000 0.827 457 D CB -0.129 40.731 40.800 0.101 0.000 0.966 457 D HN 0.245 nan 8.370 nan 0.000 0.456 458 I N 0.434 121.104 120.570 0.166 0.000 2.315 458 I HA -0.229 3.942 4.170 0.001 0.000 0.248 458 I C 2.252 178.506 176.117 0.227 0.000 1.117 458 I CA 0.551 61.967 61.300 0.192 0.000 1.404 458 I CB -0.090 38.076 38.000 0.276 0.000 1.071 458 I HN 0.045 nan 8.210 nan 0.000 0.419 459 C N -0.635 118.829 119.300 0.273 0.000 2.448 459 C HA -0.046 4.414 4.460 0.001 0.000 0.280 459 C C 2.051 177.271 174.990 0.384 0.000 1.398 459 C CA 0.669 59.883 59.018 0.327 0.000 1.774 459 C CB -0.857 27.051 27.740 0.280 0.000 1.888 459 C HN 0.679 nan 8.230 nan 0.000 0.519 460 F N -0.615 119.420 119.950 0.143 0.000 2.065 460 F HA 0.126 4.653 4.527 0.001 0.000 0.343 460 F C 1.514 177.406 175.800 0.154 0.000 0.923 460 F CA 0.184 58.276 58.000 0.154 0.000 1.107 460 F CB -0.593 38.474 39.000 0.112 0.000 1.331 460 F HN -0.165 nan 8.300 nan 0.000 0.578 461 N N 1.665 120.513 118.700 0.247 0.000 2.069 461 N HA -0.174 4.566 4.740 0.001 0.000 0.191 461 N C 1.118 176.652 175.510 0.039 0.000 1.031 461 N CA 1.853 54.983 53.050 0.133 0.000 0.852 461 N CB -0.771 37.818 38.487 0.171 0.000 1.018 461 N HN 0.376 nan 8.380 nan 0.000 0.423 462 N N 1.288 120.019 118.700 0.052 0.000 2.069 462 N HA -0.099 4.642 4.740 0.001 0.000 0.191 462 N C 1.713 177.240 175.510 0.029 0.000 1.031 462 N CA 1.389 54.457 53.050 0.030 0.000 0.852 462 N CB -0.538 37.951 38.487 0.003 0.000 1.018 462 N HN 0.281 nan 8.380 nan 0.000 0.423 463 A N 0.934 123.756 122.820 0.003 0.000 1.898 463 A HA -0.183 4.137 4.320 0.001 0.000 0.216 463 A C 2.194 179.957 177.584 0.299 0.000 1.181 463 A CA 1.503 53.590 52.037 0.083 0.000 0.620 463 A CB -0.705 18.288 19.000 -0.012 0.000 0.819 463 A HN 0.395 nan 8.150 nan 0.000 0.442 464 Q N -0.386 119.444 119.800 0.049 0.000 2.096 464 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 464 Q C 2.303 178.339 176.000 0.060 0.000 0.982 464 Q CA 1.775 57.535 55.803 -0.071 0.000 0.850 464 Q CB -0.097 28.403 28.738 -0.398 0.000 0.901 464 Q HN 0.698 nan 8.270 nan 0.000 0.422 465 R N -0.895 119.644 120.500 0.065 0.000 2.066 465 R HA -0.154 4.187 4.340 0.001 0.000 0.232 465 R C 2.266 178.622 176.300 0.093 0.000 1.131 465 R CA 1.403 57.545 56.100 0.071 0.000 0.955 465 R CB -0.577 29.763 30.300 0.068 0.000 0.851 465 R HN 0.335 nan 8.270 nan 0.000 0.432 466 Y N 0.596 120.878 120.300 -0.030 0.000 2.165 466 Y HA -0.201 4.350 4.550 0.001 0.000 0.286 466 Y C 1.482 177.246 175.900 -0.226 0.000 1.155 466 Y CA 1.513 59.522 58.100 -0.150 0.000 1.164 466 Y CB -0.155 38.159 38.460 -0.243 0.000 0.978 466 Y HN -0.082 nan 8.280 nan 0.000 0.513 467 F N -0.372 119.580 119.950 0.003 0.000 2.797 467 F HA 0.069 4.597 4.527 0.001 0.000 0.302 467 F C 0.964 176.744 175.800 -0.034 0.000 1.130 467 F CA 0.268 58.251 58.000 -0.030 0.000 1.387 467 F CB -0.379 38.707 39.000 0.144 0.000 1.107 467 F HN -0.264 nan 8.300 nan 0.000 0.577 468 T N 2.238 116.837 114.554 0.075 0.000 2.901 468 T HA 0.232 4.583 4.350 0.001 0.000 0.301 468 T C 0.451 175.148 174.700 -0.005 0.000 1.012 468 T CA -0.136 61.984 62.100 0.034 0.000 1.135 468 T CB 0.796 69.674 68.868 0.016 0.000 0.936 468 T HN -0.058 nan 8.240 nan 0.000 0.539 469 I N 4.657 125.241 120.570 0.022 0.000 2.278 469 I HA 0.294 4.464 4.170 0.001 0.000 0.296 469 I C 0.636 176.761 176.117 0.014 0.000 1.121 469 I CA 0.219 61.539 61.300 0.033 0.000 1.267 469 I CB -0.256 37.797 38.000 0.089 0.000 1.447 469 I HN 0.490 nan 8.210 nan 0.000 0.509 470 K N 0.000 120.394 120.400 -0.011 0.000 2.780 470 K HA 0.000 4.321 4.320 0.001 0.000 0.191 470 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 470 K CB 0.000 32.496 32.500 -0.007 0.000 1.064 470 K HN 0.000 nan 8.250 nan 0.000 0.543