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 2e8i_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMSVS KSLCGTVVGA LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEDYVDPA SEVQTHDRSA GWRTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGF AHGGVSCTAR DLARVGRMML DGGVAPGGRV VSEDWVRRVL DATA SEQUENCE AGGSHEAMTD KGFTNTFPDG SYTRQWWCTG NERGNVSGIG IHGQNLWLDP DATA SEQUENCE LTDSVIVKLS SWPDPDTEHW HRLQNGILLD VSRALDAV 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 5 S HA 0.000 nan 4.470 nan 0.000 0.327 5 S C 0.000 174.649 174.600 0.081 0.000 1.055 5 S CA 0.000 58.224 58.200 0.041 0.000 1.107 5 S CB 0.000 63.225 63.200 0.041 0.000 0.593 6 T N -0.556 114.060 114.554 0.104 0.000 3.105 6 T HA 0.599 4.949 4.350 0.002 0.000 0.253 6 T C 1.373 176.118 174.700 0.075 0.000 1.047 6 T CA 0.684 62.919 62.100 0.225 0.000 0.944 6 T CB 0.071 69.084 68.868 0.242 0.000 1.016 6 T HN 1.847 nan 8.240 nan 0.000 0.544 7 G N 1.448 110.190 108.800 -0.096 0.000 2.693 7 G HA2 -0.228 3.733 3.960 0.002 0.000 0.226 7 G HA3 -0.228 3.733 3.960 0.002 0.000 0.226 7 G C -0.578 174.001 174.900 -0.534 0.000 1.354 7 G CA -0.371 44.599 45.100 -0.217 0.000 0.873 7 G HN 0.781 nan 8.290 nan 0.000 0.562 8 Q N 0.334 119.890 119.800 -0.407 0.000 2.332 8 Q HA 0.434 4.775 4.340 0.002 0.000 0.263 8 Q C -0.233 175.402 176.000 -0.608 0.000 0.979 8 Q CA -0.222 55.340 55.803 -0.402 0.000 0.885 8 Q CB 0.268 28.898 28.738 -0.181 0.000 1.218 8 Q HN 0.634 nan 8.270 nan 0.000 0.405 9 H N 2.914 121.888 119.070 -0.161 0.000 2.797 9 H HA 0.407 4.964 4.556 0.001 0.000 0.372 9 H C -2.259 173.020 175.328 -0.081 0.000 1.168 9 H CA -2.276 53.660 56.048 -0.186 0.000 1.163 9 H CB 1.104 30.657 29.762 -0.347 0.000 1.778 9 H HN 0.609 nan 8.280 nan 0.000 0.551 10 P HA 0.146 nan 4.420 nan 0.000 0.267 10 P C -0.416 176.879 177.300 -0.009 0.000 1.205 10 P CA -0.227 62.907 63.100 0.056 0.000 0.765 10 P CB 0.341 32.103 31.700 0.104 0.000 0.828 11 A N 3.306 126.077 122.820 -0.082 0.000 2.483 11 A HA 0.059 4.380 4.320 0.002 0.000 0.238 11 A C 1.676 179.094 177.584 -0.275 0.000 1.070 11 A CA -0.105 51.810 52.037 -0.202 0.000 0.770 11 A CB 0.081 18.929 19.000 -0.253 0.000 1.008 11 A HN 0.524 nan 8.150 nan 0.000 0.497 12 R N 0.219 120.456 120.500 -0.439 0.000 2.120 12 R HA -0.053 4.288 4.340 0.002 0.000 0.234 12 R C -0.024 175.867 176.300 -0.681 0.000 1.123 12 R CA 2.236 57.987 56.100 -0.582 0.000 0.975 12 R CB -0.355 29.486 30.300 -0.765 0.000 0.866 12 R HN 0.857 nan 8.270 nan 0.000 0.446 13 Y N -4.852 115.143 120.300 -0.507 0.000 2.655 13 Y HA 0.633 5.184 4.550 0.002 0.000 0.336 13 Y C -2.815 173.000 175.900 -0.142 0.000 1.154 13 Y CA -3.999 53.893 58.100 -0.347 0.000 1.055 13 Y CB 0.192 38.419 38.460 -0.387 0.000 1.295 13 Y HN -0.247 nan 8.280 nan 0.000 0.465 14 P HA 0.212 nan 4.420 nan 0.000 0.258 14 P C 0.747 178.124 177.300 0.130 0.000 1.187 14 P CA 2.286 65.447 63.100 0.102 0.000 0.767 14 P CB 0.419 32.193 31.700 0.125 0.000 0.770 15 G N 2.420 111.213 108.800 -0.011 0.000 2.175 15 G HA2 -0.180 3.781 3.960 0.002 0.000 0.244 15 G HA3 -0.180 3.781 3.960 0.002 0.000 0.244 15 G C 0.447 175.286 174.900 -0.103 0.000 0.982 15 G CA -0.094 45.005 45.100 -0.001 0.000 0.641 15 G HN 0.844 nan 8.290 nan 0.000 0.527 16 A N 0.417 122.970 122.820 -0.445 0.000 2.498 16 A HA 0.767 5.088 4.320 0.002 0.000 0.239 16 A C 1.130 178.547 177.584 -0.278 0.000 1.068 16 A CA 1.168 52.803 52.037 -0.669 0.000 0.766 16 A CB 0.298 18.444 19.000 -1.423 0.000 1.003 16 A HN 2.121 nan 8.150 nan 0.000 0.497 17 A N 1.810 124.557 122.820 -0.121 0.000 2.386 17 A HA 0.556 4.877 4.320 0.002 0.000 0.246 17 A C 0.991 178.521 177.584 -0.090 0.000 1.089 17 A CA 0.145 52.146 52.037 -0.059 0.000 0.790 17 A CB -0.268 18.744 19.000 0.021 0.000 1.042 17 A HN 2.318 nan 8.150 nan 0.000 0.497 18 A N -0.087 122.698 122.820 -0.059 0.000 2.546 18 A HA 0.462 4.782 4.320 0.002 0.000 0.243 18 A C 1.634 179.197 177.584 -0.036 0.000 1.063 18 A CA 0.857 52.867 52.037 -0.046 0.000 0.757 18 A CB -1.037 17.948 19.000 -0.025 0.000 0.991 18 A HN 2.758 nan 8.150 nan 0.000 0.503 19 G N 1.368 110.144 108.800 -0.039 0.000 2.184 19 G HA2 -0.190 3.771 3.960 0.002 0.000 0.264 19 G HA3 -0.190 3.771 3.960 0.002 0.000 0.264 19 G C 0.032 174.893 174.900 -0.064 0.000 0.975 19 G CA 0.531 45.612 45.100 -0.031 0.000 0.642 19 G HN 0.821 nan 8.290 nan 0.000 0.536 20 E N 1.109 121.241 120.200 -0.114 0.000 2.204 20 E HA 0.470 4.821 4.350 0.002 0.000 0.276 20 E C -2.245 174.230 176.600 -0.209 0.000 0.974 20 E CA -1.664 54.630 56.400 -0.177 0.000 0.815 20 E CB 2.416 32.045 29.700 -0.118 0.000 1.119 20 E HN 0.263 nan 8.360 nan 0.000 0.393 21 P HA 0.151 nan 4.420 nan 0.000 0.280 21 P C -0.242 177.047 177.300 -0.018 0.000 1.272 21 P CA -0.308 62.647 63.100 -0.241 0.000 0.819 21 P CB 0.900 32.580 31.700 -0.033 0.000 1.122 22 T N -2.218 112.351 114.554 0.025 0.000 2.922 22 T HA 0.231 4.582 4.350 0.002 0.000 0.281 22 T C 1.114 175.968 174.700 0.257 0.000 1.005 22 T CA -0.720 61.445 62.100 0.108 0.000 0.982 22 T CB 0.195 69.105 68.868 0.070 0.000 1.158 22 T HN 0.146 nan 8.240 nan 0.000 0.566 23 L N 0.274 121.643 121.223 0.242 0.000 2.261 23 L HA 0.042 4.383 4.340 0.002 0.000 0.216 23 L C 1.253 178.361 176.870 0.398 0.000 1.114 23 L CA 1.855 56.915 54.840 0.365 0.000 0.777 23 L CB -0.843 41.341 42.059 0.209 0.000 0.910 23 L HN 0.670 nan 8.230 nan 0.000 0.440 24 D N -2.099 118.428 120.400 0.210 0.000 2.369 24 D HA 0.100 4.741 4.640 0.002 0.000 0.211 24 D C 1.583 177.900 176.300 0.028 0.000 1.077 24 D CA 0.960 55.018 54.000 0.096 0.000 0.842 24 D CB 0.500 41.342 40.800 0.069 0.000 0.947 24 D HN 0.536 nan 8.370 nan 0.000 0.509 25 S N -0.626 115.114 115.700 0.066 0.000 2.733 25 S HA -0.004 4.467 4.470 0.002 0.000 0.247 25 S C 1.611 176.277 174.600 0.109 0.000 1.043 25 S CA -0.812 57.417 58.200 0.049 0.000 1.066 25 S CB -0.767 62.458 63.200 0.041 0.000 1.045 25 S HN 0.391 nan 8.310 nan 0.000 0.586 26 W N 1.814 123.189 121.300 0.126 0.000 2.525 26 W HA 0.110 4.771 4.660 0.001 0.000 0.259 26 W C 0.891 177.539 176.519 0.215 0.000 1.253 26 W CA 0.523 57.983 57.345 0.193 0.000 1.262 26 W CB -0.742 28.847 29.460 0.214 0.000 1.122 26 W HN 0.402 nan 8.180 nan 0.000 0.607 27 Q N 0.986 120.586 119.800 -0.333 0.000 2.425 27 Q HA 0.034 4.374 4.340 0.002 0.000 0.204 27 Q C 0.133 176.095 176.000 -0.062 0.000 0.933 27 Q CA 0.554 56.227 55.803 -0.216 0.000 0.939 27 Q CB 0.168 28.621 28.738 -0.475 0.000 1.044 27 Q HN 0.419 nan 8.270 nan 0.000 0.513 28 E N 1.986 122.194 120.200 0.012 0.000 2.319 28 E HA 0.215 4.566 4.350 0.002 0.000 0.268 28 E C -2.407 174.164 176.600 -0.048 0.000 1.050 28 E CA -2.185 54.226 56.400 0.018 0.000 0.878 28 E CB 0.740 30.491 29.700 0.085 0.000 1.066 28 E HN -0.024 nan 8.360 nan 0.000 0.406 29 P HA 0.103 nan 4.420 nan 0.000 0.277 29 P C -2.157 174.957 177.300 -0.309 0.000 1.240 29 P CA -1.458 61.532 63.100 -0.183 0.000 0.798 29 P CB 0.637 32.267 31.700 -0.118 0.000 0.979 30 P HA -0.001 nan 4.420 nan 0.000 0.255 30 P C 1.015 178.125 177.300 -0.317 0.000 1.248 30 P CA 0.730 63.671 63.100 -0.264 0.000 0.807 30 P CB -0.116 31.499 31.700 -0.142 0.000 1.150 31 H N 1.887 120.931 119.070 -0.043 0.000 2.387 31 H HA -0.105 4.452 4.556 0.002 0.000 0.299 31 H C 1.699 176.976 175.328 -0.085 0.000 1.090 31 H CA 1.761 57.801 56.048 -0.012 0.000 1.332 31 H CB -1.050 28.854 29.762 0.237 0.000 1.386 31 H HN 0.352 nan 8.280 nan 0.000 0.516 32 N N 1.907 120.537 118.700 -0.116 0.000 2.309 32 N HA -0.137 4.604 4.740 0.002 0.000 0.182 32 N C 1.711 176.814 175.510 -0.678 0.000 1.018 32 N CA 0.661 53.397 53.050 -0.522 0.000 0.876 32 N CB -0.499 37.462 38.487 -0.876 0.000 0.972 32 N HN 0.262 nan 8.380 nan 0.000 0.434 33 R N -0.754 119.527 120.500 -0.365 0.000 2.081 33 R HA -0.140 4.201 4.340 0.002 0.000 0.235 33 R C 1.853 178.123 176.300 -0.050 0.000 1.131 33 R CA 1.575 57.554 56.100 -0.201 0.000 0.960 33 R CB -0.587 29.631 30.300 -0.136 0.000 0.856 33 R HN 0.441 nan 8.270 nan 0.000 0.436 34 W N 1.285 122.459 121.300 -0.210 0.000 2.407 34 W HA -0.037 4.624 4.660 0.002 0.000 0.305 34 W C 2.269 178.904 176.519 0.192 0.000 1.196 34 W CA 1.438 58.774 57.345 -0.016 0.000 1.311 34 W CB -0.273 29.081 29.460 -0.177 0.000 1.135 34 W HN 0.061 nan 8.180 nan 0.000 0.514 35 A N -0.150 122.753 122.820 0.139 0.000 1.933 35 A HA -0.148 4.173 4.320 0.002 0.000 0.218 35 A C 1.795 179.425 177.584 0.077 0.000 1.175 35 A CA 1.419 53.466 52.037 0.017 0.000 0.628 35 A CB -1.351 17.942 19.000 0.488 0.000 0.814 35 A HN 0.363 nan 8.150 nan 0.000 0.444 36 F N -0.296 119.654 119.950 -0.001 0.000 2.451 36 F HA 0.060 4.588 4.527 0.001 0.000 0.299 36 F C 2.355 178.051 175.800 -0.174 0.000 1.101 36 F CA 0.184 58.167 58.000 -0.028 0.000 1.436 36 F CB -0.828 38.194 39.000 0.037 0.000 1.074 36 F HN 0.299 nan 8.300 nan 0.000 0.553 37 A N -1.811 120.946 122.820 -0.106 0.000 2.348 37 A HA 0.149 4.470 4.320 0.002 0.000 0.224 37 A C 0.098 177.173 177.584 -0.848 0.000 1.227 37 A CA 0.171 51.969 52.037 -0.397 0.000 0.885 37 A CB -0.675 18.095 19.000 -0.384 0.000 0.933 37 A HN 0.426 nan 8.150 nan 0.000 0.506 38 H N -1.964 116.800 119.070 -0.510 0.000 3.064 38 H HA 0.193 4.750 4.556 0.002 0.000 0.232 38 H C 0.744 175.765 175.328 -0.512 0.000 1.308 38 H CA -0.393 55.291 56.048 -0.608 0.000 1.010 38 H CB 0.325 29.395 29.762 -1.153 0.000 2.408 38 H HN 0.214 nan 8.280 nan 0.000 0.599 39 L N 0.505 121.536 121.223 -0.321 0.000 2.191 39 L HA 0.072 4.413 4.340 0.002 0.000 0.212 39 L C 2.259 178.951 176.870 -0.297 0.000 1.103 39 L CA 1.830 56.445 54.840 -0.374 0.000 0.769 39 L CB -0.517 41.315 42.059 -0.379 0.000 0.908 39 L HN 0.514 nan 8.230 nan 0.000 0.438 40 G N -1.286 107.391 108.800 -0.205 0.000 2.470 40 G HA2 -0.222 3.739 3.960 0.002 0.000 0.220 40 G HA3 -0.222 3.739 3.960 0.002 0.000 0.220 40 G C 1.379 176.219 174.900 -0.099 0.000 1.121 40 G CA 0.584 45.598 45.100 -0.143 0.000 0.766 40 G HN 0.539 nan 8.290 nan 0.000 0.553 41 E N -0.555 119.602 120.200 -0.072 0.000 2.427 41 E HA 0.036 4.387 4.350 0.002 0.000 0.196 41 E C 1.909 178.519 176.600 0.016 0.000 1.028 41 E CA 0.336 56.753 56.400 0.028 0.000 0.864 41 E CB 0.055 29.863 29.700 0.179 0.000 0.813 41 E HN 0.372 nan 8.360 nan 0.000 0.514 42 M N -0.396 119.143 119.600 -0.101 0.000 2.740 42 M HA 0.156 4.637 4.480 0.002 0.000 0.253 42 M C 0.414 176.618 176.300 -0.160 0.000 1.341 42 M CA 0.522 55.737 55.300 -0.142 0.000 1.176 42 M CB 0.843 33.221 32.600 -0.369 0.000 1.310 42 M HN -0.253 nan 8.290 nan 0.000 0.531 43 V N 1.595 121.387 119.914 -0.203 0.000 2.638 43 V HA 0.407 4.528 4.120 0.002 0.000 0.306 43 V C -2.421 173.602 176.094 -0.119 0.000 1.052 43 V CA -1.752 60.459 62.300 -0.150 0.000 0.885 43 V CB 1.973 33.683 31.823 -0.188 0.000 0.999 43 V HN 0.064 nan 8.190 nan 0.000 0.424 44 P HA 0.238 nan 4.420 nan 0.000 0.264 44 P C -0.601 176.646 177.300 -0.088 0.000 1.183 44 P CA 0.483 63.532 63.100 -0.085 0.000 0.763 44 P CB 0.417 32.072 31.700 -0.075 0.000 0.807 45 S N 0.924 116.569 115.700 -0.091 0.000 2.546 45 S HA 0.766 5.237 4.470 0.002 0.000 0.274 45 S C -0.951 173.599 174.600 -0.084 0.000 1.121 45 S CA -0.584 57.562 58.200 -0.090 0.000 0.887 45 S CB 2.066 65.204 63.200 -0.104 0.000 1.094 45 S HN 0.506 nan 8.310 nan 0.000 0.474 46 A N 1.310 124.084 122.820 -0.077 0.000 2.340 46 A HA 0.898 5.219 4.320 0.002 0.000 0.331 46 A C -0.049 177.491 177.584 -0.072 0.000 1.140 46 A CA -0.699 51.294 52.037 -0.073 0.000 0.801 46 A CB 0.887 19.848 19.000 -0.065 0.000 1.234 46 A HN 1.126 nan 8.150 nan 0.000 0.469 47 A N 0.829 123.606 122.820 -0.072 0.000 2.401 47 A HA 0.534 4.855 4.320 0.002 0.000 0.259 47 A C -0.255 177.290 177.584 -0.064 0.000 1.103 47 A CA -0.153 51.842 52.037 -0.071 0.000 0.789 47 A CB 0.047 19.003 19.000 -0.074 0.000 1.035 47 A HN 1.143 nan 8.150 nan 0.000 0.491 48 V N 3.133 123.011 119.914 -0.061 0.000 2.313 48 V HA 0.269 4.390 4.120 0.002 0.000 0.278 48 V C 0.735 176.797 176.094 -0.053 0.000 1.017 48 V CA -0.350 61.918 62.300 -0.054 0.000 0.823 48 V CB 1.007 32.799 31.823 -0.051 0.000 1.010 48 V HN 0.955 nan 8.190 nan 0.000 0.443 49 S N 4.541 120.209 115.700 -0.053 0.000 2.549 49 S HA 0.165 4.636 4.470 0.002 0.000 0.279 49 S C 1.425 175.997 174.600 -0.047 0.000 1.321 49 S CA -0.390 57.778 58.200 -0.054 0.000 1.054 49 S CB 0.391 63.558 63.200 -0.056 0.000 0.899 49 S HN 0.849 nan 8.310 nan 0.000 0.497 50 R N 3.729 124.200 120.500 -0.047 0.000 2.299 50 R HA 0.168 4.509 4.340 0.002 0.000 0.197 50 R C 0.119 176.395 176.300 -0.039 0.000 0.971 50 R CA 0.276 56.351 56.100 -0.041 0.000 1.030 50 R CB -0.008 30.269 30.300 -0.040 0.000 0.932 50 R HN 0.431 nan 8.270 nan 0.000 0.477 51 R N 1.855 122.330 120.500 -0.043 0.000 2.407 51 R HA 0.380 4.720 4.340 0.002 0.000 0.303 51 R C -2.184 174.093 176.300 -0.038 0.000 0.981 51 R CA -2.096 53.979 56.100 -0.041 0.000 0.905 51 R CB 0.876 31.147 30.300 -0.049 0.000 1.099 51 R HN 0.047 nan 8.270 nan 0.000 0.459 58 H N 0.417 119.496 119.070 0.014 0.000 2.895 58 H HA 0.727 5.283 4.556 0.002 0.000 0.373 58 H C -0.228 175.109 175.328 0.014 0.000 1.174 58 H CA 0.194 56.253 56.048 0.019 0.000 1.144 58 H CB 2.106 31.879 29.762 0.018 0.000 1.793 58 H HN 0.252 nan 8.280 nan 0.000 0.551 59 A N 2.892 125.813 122.820 0.169 0.000 2.462 59 A HA 0.283 4.604 4.320 0.002 0.000 0.243 59 A C -0.534 177.137 177.584 0.145 0.000 1.076 59 A CA -0.301 51.789 52.037 0.088 0.000 0.773 59 A CB -0.029 19.014 19.000 0.071 0.000 1.010 59 A HN 0.404 nan 8.150 nan 0.000 0.493 60 L N 2.590 123.817 121.223 0.008 0.000 2.265 60 L HA 0.654 4.995 4.340 0.002 0.000 0.289 60 L C 0.158 177.070 176.870 0.070 0.000 1.033 60 L CA 0.077 54.966 54.840 0.082 0.000 0.814 60 L CB 1.044 43.201 42.059 0.164 0.000 1.203 60 L HN 0.748 nan 8.230 nan 0.000 0.423 61 A N 6.076 128.992 122.820 0.161 0.000 2.323 61 A HA 0.706 5.027 4.320 0.002 0.000 0.305 61 A C -0.225 177.460 177.584 0.168 0.000 1.275 61 A CA -0.628 51.554 52.037 0.242 0.000 0.804 61 A CB 0.351 19.516 19.000 0.275 0.000 1.152 61 A HN 0.741 nan 8.150 nan 0.000 0.487 62 R N 3.360 123.962 120.500 0.171 0.000 2.651 62 R HA 0.283 4.624 4.340 0.002 0.000 0.282 62 R C -0.271 176.110 176.300 0.135 0.000 1.565 62 R CA -0.220 55.959 56.100 0.133 0.000 1.661 62 R CB 0.495 30.873 30.300 0.130 0.000 1.189 62 R HN 0.713 nan 8.270 nan 0.000 0.621 63 L N 0.556 121.852 121.223 0.123 0.000 2.591 63 L HA 0.182 4.523 4.340 0.002 0.000 0.228 63 L C 1.166 178.095 176.870 0.098 0.000 1.133 63 L CA 0.350 55.264 54.840 0.125 0.000 0.880 63 L CB -0.253 41.855 42.059 0.080 0.000 1.033 63 L HN 0.792 nan 8.230 nan 0.000 0.450 64 G N -0.218 108.630 108.800 0.080 0.000 2.527 64 G HA2 -0.056 3.905 3.960 0.002 0.000 0.227 64 G HA3 -0.056 3.905 3.960 0.002 0.000 0.227 64 G C 0.449 175.378 174.900 0.049 0.000 1.291 64 G CA -0.200 44.938 45.100 0.063 0.000 0.904 64 G HN 0.688 nan 8.290 nan 0.000 0.577 65 A N -2.888 119.957 122.820 0.041 0.000 1.871 65 A HA -0.130 4.191 4.320 0.002 0.000 0.212 65 A C 1.820 179.430 177.584 0.044 0.000 0.611 65 A CA 2.630 54.692 52.037 0.043 0.000 1.256 65 A CB -1.924 17.106 19.000 0.050 0.000 1.392 65 A HN 2.625 nan 8.150 nan 0.000 0.705 66 I N -3.161 117.440 120.570 0.052 0.000 4.327 66 I HA 0.733 4.904 4.170 0.002 0.000 0.331 66 I C 1.799 177.935 176.117 0.032 0.000 1.348 66 I CA 0.998 62.327 61.300 0.048 0.000 1.152 66 I CB 0.334 38.377 38.000 0.070 0.000 1.151 66 I HN 0.622 nan 8.210 nan 0.000 0.410 67 A N 1.972 124.810 122.820 0.031 0.000 1.972 67 A HA 0.050 4.371 4.320 0.002 0.000 0.219 67 A C 2.520 180.108 177.584 0.006 0.000 1.169 67 A CA 1.913 53.958 52.037 0.014 0.000 0.635 67 A CB -0.606 18.407 19.000 0.022 0.000 0.810 67 A HN 0.582 nan 8.150 nan 0.000 0.446 68 A N -0.716 122.112 122.820 0.013 0.000 1.930 68 A HA -0.169 4.152 4.320 0.002 0.000 0.217 68 A C 2.086 179.672 177.584 0.005 0.000 1.175 68 A CA 1.591 53.633 52.037 0.009 0.000 0.627 68 A CB -0.421 18.587 19.000 0.012 0.000 0.815 68 A HN 0.648 nan 8.150 nan 0.000 0.443 69 Q N -1.046 118.758 119.800 0.007 0.000 2.269 69 Q HA 0.223 4.564 4.340 0.002 0.000 0.201 69 Q C -0.228 175.769 176.000 -0.005 0.000 0.946 69 Q CA 0.458 56.264 55.803 0.005 0.000 0.877 69 Q CB 0.117 28.863 28.738 0.012 0.000 0.963 69 Q HN 0.561 nan 8.270 nan 0.000 0.472 70 L N 1.925 123.142 121.223 -0.010 0.000 2.495 70 L HA 0.267 4.608 4.340 0.002 0.000 0.248 70 L C -1.878 174.969 176.870 -0.038 0.000 1.229 70 L CA -1.368 53.454 54.840 -0.030 0.000 0.942 70 L CB 1.009 43.044 42.059 -0.040 0.000 1.242 70 L HN -0.062 nan 8.230 nan 0.000 0.484 71 P HA -0.149 nan 4.420 nan 0.000 0.218 71 P C 0.345 177.618 177.300 -0.045 0.000 1.148 71 P CA 1.208 64.290 63.100 -0.029 0.000 0.822 71 P CB 0.417 32.105 31.700 -0.021 0.000 0.784 72 D N -0.981 119.383 120.400 -0.059 0.000 2.358 72 D HA 0.048 4.689 4.640 0.002 0.000 0.224 72 D C 1.649 177.878 176.300 -0.119 0.000 1.123 72 D CA -0.242 53.713 54.000 -0.076 0.000 0.833 72 D CB -0.200 40.560 40.800 -0.067 0.000 0.946 72 D HN 0.023 nan 8.370 nan 0.000 0.505 73 L N 1.336 122.478 121.223 -0.135 0.000 2.042 73 L HA -0.158 4.183 4.340 0.002 0.000 0.210 73 L C 2.077 178.761 176.870 -0.309 0.000 1.076 73 L CA 1.912 56.623 54.840 -0.216 0.000 0.749 73 L CB -0.371 41.564 42.059 -0.206 0.000 0.893 73 L HN -0.008 nan 8.230 nan 0.000 0.432 74 E N -1.086 118.954 120.200 -0.267 0.000 2.085 74 E HA -0.323 4.028 4.350 0.002 0.000 0.194 74 E C 2.222 178.628 176.600 -0.323 0.000 0.994 74 E CA 1.514 57.699 56.400 -0.358 0.000 0.801 74 E CB -0.244 29.354 29.700 -0.170 0.000 0.743 74 E HN 0.711 nan 8.360 nan 0.000 0.453 75 Q N 0.221 119.903 119.800 -0.197 0.000 2.124 75 Q HA -0.198 4.143 4.340 0.002 0.000 0.202 75 Q C 2.163 178.058 176.000 -0.175 0.000 0.977 75 Q CA 1.448 57.159 55.803 -0.153 0.000 0.850 75 Q CB 0.053 28.731 28.738 -0.099 0.000 0.901 75 Q HN 0.217 nan 8.270 nan 0.000 0.429 76 R N -0.160 120.222 120.500 -0.197 0.000 2.092 76 R HA -0.068 4.273 4.340 0.002 0.000 0.231 76 R C 2.389 178.552 176.300 -0.228 0.000 1.119 76 R CA 1.145 57.135 56.100 -0.183 0.000 0.970 76 R CB -0.188 30.002 30.300 -0.184 0.000 0.864 76 R HN 0.309 nan 8.270 nan 0.000 0.440 77 L N 0.600 121.601 121.223 -0.369 0.000 2.056 77 L HA -0.154 4.187 4.340 0.002 0.000 0.207 77 L C 2.167 178.857 176.870 -0.301 0.000 1.078 77 L CA 1.409 55.986 54.840 -0.438 0.000 0.749 77 L CB -0.414 41.143 42.059 -0.836 0.000 0.901 77 L HN 0.220 nan 8.230 nan 0.000 0.433 78 E N -0.006 120.017 120.200 -0.296 0.000 2.085 78 E HA -0.272 4.079 4.350 0.002 0.000 0.194 78 E C 2.206 178.676 176.600 -0.217 0.000 0.994 78 E CA 1.196 57.473 56.400 -0.204 0.000 0.801 78 E CB -0.120 29.485 29.700 -0.158 0.000 0.743 78 E HN 0.550 nan 8.360 nan 0.000 0.453 79 Q N -0.147 119.569 119.800 -0.139 0.000 2.226 79 Q HA -0.093 4.248 4.340 0.002 0.000 0.204 79 Q C 1.520 177.582 176.000 0.105 0.000 0.975 79 Q CA 1.551 57.333 55.803 -0.036 0.000 0.866 79 Q CB 0.035 28.776 28.738 0.005 0.000 0.915 79 Q HN 0.297 nan 8.270 nan 0.000 0.440 80 T N -4.183 110.407 114.554 0.059 0.000 3.223 80 T HA 0.136 4.487 4.350 0.002 0.000 0.259 80 T C -0.380 174.483 174.700 0.272 0.000 1.015 80 T CA -0.565 61.634 62.100 0.164 0.000 0.908 80 T CB -0.316 68.648 68.868 0.161 0.000 1.054 80 T HN 0.246 nan 8.240 nan 0.000 0.567 81 Y N 0.697 120.989 120.300 -0.014 0.000 3.168 81 Y HA -0.236 4.315 4.550 0.002 0.000 0.207 81 Y C 0.546 176.456 175.900 0.017 0.000 1.280 81 Y CA 0.305 58.406 58.100 0.001 0.000 1.235 81 Y CB -2.689 35.752 38.460 -0.032 0.000 1.370 81 Y HN 0.321 nan 8.280 nan 0.000 0.537 82 T N 0.574 115.178 114.554 0.083 0.000 2.870 82 T HA 0.058 4.409 4.350 0.002 0.000 0.300 82 T C 0.946 175.705 174.700 0.098 0.000 0.989 82 T CA -0.095 62.045 62.100 0.067 0.000 1.139 82 T CB 0.895 69.767 68.868 0.007 0.000 0.920 82 T HN 0.275 nan 8.240 nan 0.000 0.537 83 D N 1.378 121.747 120.400 -0.053 0.000 2.490 83 D HA 0.288 4.929 4.640 0.002 0.000 0.244 83 D C 0.632 176.710 176.300 -0.369 0.000 0.979 83 D CA 0.333 54.193 54.000 -0.234 0.000 0.924 83 D CB 0.423 41.015 40.800 -0.347 0.000 1.075 83 D HN 0.614 nan 8.370 nan 0.000 0.488 84 A N 0.167 122.794 122.820 -0.322 0.000 2.455 84 A HA 0.586 4.907 4.320 0.002 0.000 0.300 84 A C -1.848 175.712 177.584 -0.039 0.000 1.040 84 A CA -0.564 51.367 52.037 -0.176 0.000 0.697 84 A CB 1.578 20.549 19.000 -0.048 0.000 1.265 84 A HN 0.054 nan 8.150 nan 0.000 0.407 85 F N 2.084 121.875 119.950 -0.265 0.000 2.574 85 F HA 0.761 5.289 4.527 0.001 0.000 0.313 85 F C -1.617 174.081 175.800 -0.169 0.000 1.130 85 F CA -0.764 57.148 58.000 -0.146 0.000 0.936 85 F CB 1.600 40.561 39.000 -0.066 0.000 1.219 85 F HN 0.681 nan 8.300 nan 0.000 0.445 86 L N 6.741 127.541 121.223 -0.704 0.000 2.482 86 L HA 0.775 5.116 4.340 0.002 0.000 0.263 86 L C -1.885 174.654 176.870 -0.551 0.000 0.957 86 L CA -0.672 53.884 54.840 -0.475 0.000 0.836 86 L CB 2.174 44.150 42.059 -0.139 0.000 1.324 86 L HN 0.474 nan 8.230 nan 0.000 0.406 87 V N 5.129 124.819 119.914 -0.373 0.000 2.409 87 V HA 0.442 4.563 4.120 0.002 0.000 0.291 87 V C -0.574 175.474 176.094 -0.077 0.000 1.020 87 V CA -0.482 61.686 62.300 -0.221 0.000 0.848 87 V CB 1.637 33.372 31.823 -0.147 0.000 0.990 87 V HN 0.548 nan 8.190 nan 0.000 0.430 88 L N 6.028 127.228 121.223 -0.037 0.000 2.276 88 L HA 0.583 4.924 4.340 0.002 0.000 0.286 88 L C -0.006 176.872 176.870 0.013 0.000 1.024 88 L CA -0.091 54.748 54.840 -0.002 0.000 0.826 88 L CB 1.029 43.092 42.059 0.008 0.000 1.211 88 L HN 0.663 nan 8.230 nan 0.000 0.422 89 R N 4.462 124.972 120.500 0.017 0.000 2.246 89 R HA 0.599 4.940 4.340 0.002 0.000 0.332 89 R C 0.752 177.063 176.300 0.018 0.000 0.974 89 R CA 0.513 56.627 56.100 0.023 0.000 0.837 89 R CB 0.646 30.962 30.300 0.027 0.000 1.145 89 R HN 0.936 nan 8.270 nan 0.000 0.467 90 G N 2.425 111.234 108.800 0.015 0.000 2.596 90 G HA2 -0.450 3.511 3.960 0.002 0.000 0.304 90 G HA3 -0.450 3.511 3.960 0.002 0.000 0.304 90 G C 0.621 175.526 174.900 0.009 0.000 1.189 90 G CA 0.747 45.853 45.100 0.010 0.000 0.986 90 G HN 0.683 nan 8.290 nan 0.000 0.548 91 T N -1.108 113.450 114.554 0.007 0.000 3.054 91 T HA 0.482 4.833 4.350 0.002 0.000 0.255 91 T C 0.591 175.297 174.700 0.010 0.000 1.035 91 T CA 1.228 63.331 62.100 0.006 0.000 0.941 91 T CB 0.607 69.476 68.868 0.002 0.000 1.026 91 T HN 0.754 nan 8.240 nan 0.000 0.533 92 E N 1.573 121.780 120.200 0.013 0.000 2.175 92 E HA 0.427 4.778 4.350 0.002 0.000 0.278 92 E C -0.990 175.621 176.600 0.020 0.000 0.969 92 E CA -0.742 55.668 56.400 0.017 0.000 0.796 92 E CB 1.683 31.394 29.700 0.018 0.000 1.104 92 E HN 0.060 nan 8.360 nan 0.000 0.395 93 V N 6.074 126.003 119.914 0.025 0.000 2.415 93 V HA -0.006 4.114 4.120 0.002 0.000 0.267 93 V C 1.131 177.246 176.094 0.034 0.000 1.042 93 V CA 0.108 62.425 62.300 0.029 0.000 1.000 93 V CB 0.636 32.486 31.823 0.045 0.000 1.015 93 V HN 0.688 nan 8.190 nan 0.000 0.478 94 V N 1.968 121.899 119.914 0.028 0.000 3.643 94 V HA 0.772 4.893 4.120 0.002 0.000 0.280 94 V C 0.584 176.712 176.094 0.056 0.000 1.351 94 V CA 0.579 62.903 62.300 0.040 0.000 1.073 94 V CB 0.121 31.966 31.823 0.036 0.000 0.863 94 V HN 0.875 nan 8.190 nan 0.000 0.436 95 A N -0.120 122.732 122.820 0.053 0.000 2.566 95 A HA 0.801 5.122 4.320 0.002 0.000 0.297 95 A C -1.001 176.632 177.584 0.082 0.000 1.059 95 A CA -0.499 51.599 52.037 0.101 0.000 0.691 95 A CB 1.539 20.639 19.000 0.166 0.000 1.282 95 A HN 0.390 nan 8.150 nan 0.000 0.401 96 E N 0.029 120.315 120.200 0.143 0.000 2.356 96 E HA 0.548 4.899 4.350 0.002 0.000 0.275 96 E C -2.078 174.604 176.600 0.136 0.000 0.904 96 E CA -0.564 55.885 56.400 0.082 0.000 0.757 96 E CB 2.792 32.578 29.700 0.144 0.000 1.232 96 E HN 0.666 nan 8.360 nan 0.000 0.442 97 Y N 1.740 121.899 120.300 -0.235 0.000 2.479 97 Y HA 0.467 5.018 4.550 0.001 0.000 0.338 97 Y C -2.168 173.383 175.900 -0.581 0.000 1.055 97 Y CA -0.618 57.353 58.100 -0.215 0.000 1.023 97 Y CB 1.303 39.727 38.460 -0.060 0.000 1.287 97 Y HN 0.512 nan 8.280 nan 0.000 0.447 98 Y N 4.537 124.454 120.300 -0.639 0.000 2.421 98 Y HA 0.501 5.052 4.550 0.001 0.000 0.339 98 Y C -0.311 175.178 175.900 -0.686 0.000 0.996 98 Y CA -1.330 56.518 58.100 -0.419 0.000 1.046 98 Y CB 1.588 40.055 38.460 0.011 0.000 1.226 98 Y HN 0.693 nan 8.280 nan 0.000 0.445 99 R N 1.490 121.831 120.500 -0.264 0.000 2.774 99 R HA 0.675 5.016 4.340 0.002 0.000 0.269 99 R C -0.070 176.239 176.300 0.015 0.000 1.068 99 R CA -0.405 55.628 56.100 -0.113 0.000 1.180 99 R CB 0.396 30.734 30.300 0.064 0.000 1.077 99 R HN 0.716 nan 8.270 nan 0.000 0.513 100 A N 0.884 123.709 122.820 0.008 0.000 2.546 100 A HA 0.365 4.686 4.320 0.002 0.000 0.243 100 A C 1.419 179.044 177.584 0.068 0.000 1.063 100 A CA 0.553 52.603 52.037 0.021 0.000 0.757 100 A CB -0.804 18.166 19.000 -0.050 0.000 0.991 100 A HN 1.299 nan 8.150 nan 0.000 0.503 101 G N 0.739 109.584 108.800 0.074 0.000 2.195 101 G HA2 -0.214 3.747 3.960 0.002 0.000 0.246 101 G HA3 -0.214 3.747 3.960 0.002 0.000 0.246 101 G C -0.022 174.954 174.900 0.126 0.000 0.984 101 G CA 0.398 45.544 45.100 0.076 0.000 0.633 101 G HN 1.454 nan 8.290 nan 0.000 0.525 102 F N 2.172 122.129 119.950 0.011 0.000 2.460 102 F HA 0.738 5.266 4.527 0.001 0.000 0.341 102 F C 0.359 176.147 175.800 -0.021 0.000 1.130 102 F CA -0.290 57.726 58.000 0.027 0.000 0.962 102 F CB 1.238 40.296 39.000 0.097 0.000 1.171 102 F HN 0.403 nan 8.300 nan 0.000 0.436 103 A N 7.182 129.768 122.820 -0.389 0.000 2.322 103 A HA 0.468 4.789 4.320 0.002 0.000 0.269 103 A C -1.924 175.350 177.584 -0.516 0.000 1.094 103 A CA -1.385 50.444 52.037 -0.348 0.000 0.807 103 A CB 0.226 19.041 19.000 -0.308 0.000 1.047 103 A HN 0.655 nan 8.150 nan 0.000 0.487 104 P HA -0.160 nan 4.420 nan 0.000 0.217 104 P C 0.430 177.478 177.300 -0.420 0.000 1.148 104 P CA 1.765 64.242 63.100 -1.038 0.000 0.828 104 P CB 0.089 31.355 31.700 -0.724 0.000 0.783 105 D N -2.712 117.510 120.400 -0.297 0.000 2.363 105 D HA 0.021 4.662 4.640 0.002 0.000 0.214 105 D C -0.058 176.130 176.300 -0.187 0.000 1.093 105 D CA -0.064 53.841 54.000 -0.160 0.000 0.837 105 D CB -0.653 40.076 40.800 -0.118 0.000 0.948 105 D HN 0.024 nan 8.370 nan 0.000 0.507 106 D N 1.152 121.322 120.400 -0.384 0.000 2.362 106 D HA 0.204 4.845 4.640 0.002 0.000 0.242 106 D C 0.494 176.683 176.300 -0.186 0.000 1.132 106 D CA 0.017 53.715 54.000 -0.504 0.000 0.907 106 D CB 1.127 41.195 40.800 -1.221 0.000 1.195 106 D HN 0.041 nan 8.370 nan 0.000 0.429 107 R N 0.873 121.344 120.500 -0.048 0.000 2.536 107 R HA 0.384 4.725 4.340 0.002 0.000 0.279 107 R C -0.014 176.478 176.300 0.320 0.000 1.001 107 R CA -0.645 55.547 56.100 0.153 0.000 1.027 107 R CB 1.431 31.767 30.300 0.060 0.000 1.096 107 R HN 0.473 nan 8.270 nan 0.000 0.502 108 H N 2.037 121.259 119.070 0.253 0.000 2.679 108 H HA 0.185 4.742 4.556 0.002 0.000 0.360 108 H C -1.096 174.290 175.328 0.098 0.000 1.105 108 H CA -0.946 55.233 56.048 0.218 0.000 1.196 108 H CB 1.647 31.530 29.762 0.200 0.000 1.636 108 H HN 0.308 nan 8.280 nan 0.000 0.531 109 L N 4.773 126.005 121.223 0.015 0.000 2.525 109 L HA -0.022 4.319 4.340 0.002 0.000 0.278 109 L C 0.324 177.345 176.870 0.252 0.000 1.218 109 L CA 0.566 55.455 54.840 0.081 0.000 0.878 109 L CB 0.149 42.170 42.059 -0.064 0.000 1.127 109 L HN 0.723 nan 8.230 nan 0.000 0.492 110 L N 4.711 126.045 121.223 0.185 0.000 2.554 110 L HA 0.049 4.390 4.340 0.002 0.000 0.225 110 L C 1.207 178.169 176.870 0.154 0.000 1.104 110 L CA -0.280 54.656 54.840 0.161 0.000 0.866 110 L CB -0.135 41.996 42.059 0.119 0.000 1.047 110 L HN 0.744 nan 8.230 nan 0.000 0.468 111 M N -0.633 119.087 119.600 0.200 0.000 7.319 111 M HA -0.369 4.112 4.480 0.002 0.000 0.191 111 M C 1.509 177.909 176.300 0.166 0.000 0.480 111 M CA 1.712 57.152 55.300 0.232 0.000 1.311 111 M CB -1.673 31.056 32.600 0.216 0.000 0.421 111 M HN 0.068 nan 8.290 nan 0.000 0.563 112 S N 0.271 116.083 115.700 0.187 0.000 2.603 112 S HA 0.092 4.563 4.470 0.002 0.000 0.229 112 S C 1.652 176.346 174.600 0.157 0.000 0.972 112 S CA 0.772 59.090 58.200 0.196 0.000 0.935 112 S CB -0.290 63.114 63.200 0.340 0.000 0.769 112 S HN 0.425 nan 8.310 nan 0.000 0.536 113 V N 1.651 121.634 119.914 0.115 0.000 2.568 113 V HA -0.169 3.952 4.120 0.002 0.000 0.253 113 V C 2.208 178.306 176.094 0.006 0.000 1.072 113 V CA 1.576 63.903 62.300 0.046 0.000 1.084 113 V CB -0.871 30.988 31.823 0.059 0.000 0.676 113 V HN 0.466 nan 8.190 nan 0.000 0.469 114 S N -0.281 115.443 115.700 0.040 0.000 2.402 114 S HA -0.262 4.209 4.470 0.002 0.000 0.233 114 S C 1.949 176.550 174.600 0.002 0.000 1.030 114 S CA 1.540 59.753 58.200 0.022 0.000 1.003 114 S CB -0.279 62.921 63.200 0.000 0.000 0.813 114 S HN 0.653 nan 8.310 nan 0.000 0.477 115 K N 1.113 121.513 120.400 -0.000 0.000 2.097 115 K HA -0.003 4.318 4.320 0.002 0.000 0.206 115 K C 2.364 178.918 176.600 -0.078 0.000 1.049 115 K CA 1.432 57.717 56.287 -0.004 0.000 0.933 115 K CB -0.247 32.298 32.500 0.076 0.000 0.717 115 K HN 0.199 nan 8.250 nan 0.000 0.442 116 S N 1.152 116.710 115.700 -0.236 0.000 2.402 116 S HA -0.075 4.396 4.470 0.002 0.000 0.229 116 S C 1.780 176.265 174.600 -0.192 0.000 1.021 116 S CA 0.884 58.753 58.200 -0.551 0.000 0.974 116 S CB -0.108 62.356 63.200 -1.225 0.000 0.800 116 S HN 0.075 nan 8.310 nan 0.000 0.484 117 L N 0.882 122.080 121.223 -0.041 0.000 2.056 117 L HA -0.034 4.307 4.340 0.002 0.000 0.207 117 L C 2.608 179.573 176.870 0.159 0.000 1.078 117 L CA 1.101 56.008 54.840 0.111 0.000 0.749 117 L CB -1.269 40.874 42.059 0.140 0.000 0.901 117 L HN 0.445 nan 8.230 nan 0.000 0.433 118 C N -0.192 119.199 119.300 0.152 0.000 2.432 118 C HA -0.089 4.372 4.460 0.002 0.000 0.277 118 C C 2.945 178.032 174.990 0.162 0.000 1.249 118 C CA 0.901 60.042 59.018 0.205 0.000 1.725 118 C CB -1.343 26.447 27.740 0.084 0.000 2.028 118 C HN 0.642 nan 8.230 nan 0.000 0.477 119 G N -0.467 108.421 108.800 0.147 0.000 2.450 119 G HA2 -0.186 3.774 3.960 0.002 0.000 0.220 119 G HA3 -0.186 3.774 3.960 0.002 0.000 0.220 119 G C 1.744 176.820 174.900 0.293 0.000 1.130 119 G CA 1.655 46.908 45.100 0.254 0.000 0.760 119 G HN 0.570 nan 8.290 nan 0.000 0.557 120 T N 0.732 115.434 114.554 0.248 0.000 2.777 120 T HA -0.089 4.262 4.350 0.002 0.000 0.266 120 T C 2.565 177.248 174.700 -0.028 0.000 1.040 120 T CA 1.141 63.338 62.100 0.162 0.000 1.141 120 T CB -0.205 68.804 68.868 0.234 0.000 0.868 120 T HN 0.085 nan 8.240 nan 0.000 0.444 121 V N 1.346 121.284 119.914 0.041 0.000 2.343 121 V HA -0.148 3.973 4.120 0.002 0.000 0.247 121 V C 2.670 178.658 176.094 -0.177 0.000 1.051 121 V CA 1.278 63.566 62.300 -0.022 0.000 1.036 121 V CB -0.752 31.126 31.823 0.092 0.000 0.654 121 V HN 0.313 nan 8.190 nan 0.000 0.451 122 V N 1.040 120.883 119.914 -0.118 0.000 2.343 122 V HA -0.207 3.914 4.120 0.002 0.000 0.247 122 V C 2.671 178.491 176.094 -0.456 0.000 1.051 122 V CA 2.234 64.421 62.300 -0.188 0.000 1.036 122 V CB -1.479 30.337 31.823 -0.010 0.000 0.654 122 V HN 0.615 nan 8.190 nan 0.000 0.451 123 G N -0.442 107.856 108.800 -0.837 0.000 2.442 123 G HA2 -0.227 3.734 3.960 0.002 0.000 0.219 123 G HA3 -0.227 3.734 3.960 0.002 0.000 0.219 123 G C 1.753 176.123 174.900 -0.883 0.000 1.141 123 G CA 1.091 45.111 45.100 -1.800 0.000 0.763 123 G HN 0.622 nan 8.290 nan 0.000 0.554 124 A N 0.495 123.004 122.820 -0.519 0.000 1.902 124 A HA 0.113 4.434 4.320 0.002 0.000 0.217 124 A C 2.402 179.837 177.584 -0.249 0.000 1.181 124 A CA 1.240 53.116 52.037 -0.267 0.000 0.623 124 A CB -0.350 18.602 19.000 -0.080 0.000 0.818 124 A HN 0.362 nan 8.150 nan 0.000 0.443 125 L N -0.630 120.381 121.223 -0.354 0.000 2.217 125 L HA -0.092 4.249 4.340 0.002 0.000 0.211 125 L C 2.395 179.148 176.870 -0.195 0.000 1.107 125 L CA 0.467 55.129 54.840 -0.297 0.000 0.783 125 L CB -0.336 41.501 42.059 -0.369 0.000 0.919 125 L HN 0.226 nan 8.230 nan 0.000 0.442 126 V N -0.114 119.664 119.914 -0.227 0.000 2.358 126 V HA -0.301 3.820 4.120 0.002 0.000 0.246 126 V C 2.207 178.260 176.094 -0.068 0.000 1.047 126 V CA 2.072 64.303 62.300 -0.116 0.000 1.035 126 V CB -0.434 31.340 31.823 -0.081 0.000 0.658 126 V HN 0.460 nan 8.190 nan 0.000 0.452 127 D N 0.309 120.639 120.400 -0.116 0.000 2.149 127 D HA -0.195 4.446 4.640 0.002 0.000 0.198 127 D C 2.100 178.389 176.300 -0.019 0.000 0.990 127 D CA 1.384 55.354 54.000 -0.050 0.000 0.839 127 D CB -0.080 40.676 40.800 -0.072 0.000 0.948 127 D HN 0.546 nan 8.370 nan 0.000 0.460 128 E N -1.155 119.028 120.200 -0.028 0.000 2.481 128 E HA 0.141 4.492 4.350 0.002 0.000 0.195 128 E C 1.223 177.827 176.600 0.007 0.000 1.047 128 E CA 0.462 56.865 56.400 0.004 0.000 0.867 128 E CB 0.148 29.863 29.700 0.025 0.000 0.858 128 E HN 0.402 nan 8.360 nan 0.000 0.513 129 G N 1.882 110.680 108.800 -0.002 0.000 2.136 129 G HA2 -0.331 3.630 3.960 0.002 0.000 0.242 129 G HA3 -0.331 3.630 3.960 0.002 0.000 0.242 129 G C 0.806 175.718 174.900 0.020 0.000 0.989 129 G CA 0.399 45.509 45.100 0.016 0.000 0.682 129 G HN 0.248 nan 8.290 nan 0.000 0.522 130 R N -0.862 119.632 120.500 -0.010 0.000 2.265 130 R HA 0.399 4.740 4.340 0.002 0.000 0.194 130 R C 0.849 177.123 176.300 -0.043 0.000 0.931 130 R CA 0.482 56.577 56.100 -0.009 0.000 1.032 130 R CB 0.616 30.893 30.300 -0.037 0.000 0.980 130 R HN 0.477 nan 8.270 nan 0.000 0.497 131 I N 1.032 121.549 120.570 -0.087 0.000 2.498 131 I HA 0.148 4.319 4.170 0.002 0.000 0.290 131 I C -1.081 175.054 176.117 0.031 0.000 1.032 131 I CA -0.977 60.235 61.300 -0.147 0.000 1.073 131 I CB 2.293 40.119 38.000 -0.289 0.000 1.251 131 I HN -0.184 nan 8.210 nan 0.000 0.426 132 D N 8.369 128.874 120.400 0.176 0.000 2.427 132 D HA 0.326 4.967 4.640 0.002 0.000 0.226 132 D C -1.918 174.491 176.300 0.181 0.000 1.076 132 D CA -2.312 51.788 54.000 0.166 0.000 0.849 132 D CB 2.026 42.925 40.800 0.164 0.000 1.052 132 D HN 0.120 nan 8.370 nan 0.000 0.515 133 P HA -0.081 nan 4.420 nan 0.000 0.221 133 P C 0.825 178.199 177.300 0.123 0.000 1.145 133 P CA 0.869 64.056 63.100 0.145 0.000 0.795 133 P CB 0.288 32.081 31.700 0.156 0.000 0.775 134 A N -1.621 121.262 122.820 0.106 0.000 2.119 134 A HA -0.068 4.253 4.320 0.002 0.000 0.216 134 A C 1.339 178.964 177.584 0.069 0.000 1.152 134 A CA 0.716 52.798 52.037 0.075 0.000 0.708 134 A CB -0.573 18.460 19.000 0.056 0.000 0.805 134 A HN 0.120 nan 8.150 nan 0.000 0.460 135 Q N 0.535 120.395 119.800 0.099 0.000 2.354 135 Q HA 0.253 4.594 4.340 0.002 0.000 0.244 135 Q C -2.446 173.589 176.000 0.059 0.000 0.969 135 Q CA -2.023 53.812 55.803 0.054 0.000 0.885 135 Q CB 0.441 29.198 28.738 0.032 0.000 1.241 135 Q HN 0.268 nan 8.270 nan 0.000 0.461 136 P HA 0.009 nan 4.420 nan 0.000 0.272 136 P C 0.783 178.094 177.300 0.018 0.000 1.223 136 P CA -0.070 63.032 63.100 0.003 0.000 0.784 136 P CB 0.752 32.431 31.700 -0.035 0.000 0.923 137 V N 2.109 122.057 119.914 0.057 0.000 2.370 137 V HA -0.269 3.852 4.120 0.002 0.000 0.252 137 V C 2.531 178.609 176.094 -0.028 0.000 1.068 137 V CA 3.043 65.381 62.300 0.062 0.000 1.061 137 V CB -2.047 29.805 31.823 0.048 0.000 0.656 137 V HN 0.734 nan 8.190 nan 0.000 0.455 138 T N -1.710 112.800 114.554 -0.074 0.000 3.051 138 T HA -0.167 4.184 4.350 0.002 0.000 0.269 138 T C 1.602 176.193 174.700 -0.182 0.000 1.127 138 T CA 1.280 63.304 62.100 -0.127 0.000 1.107 138 T CB -0.257 68.552 68.868 -0.097 0.000 0.898 138 T HN 0.517 nan 8.240 nan 0.000 0.517 139 E N 0.802 120.845 120.200 -0.261 0.000 2.153 139 E HA -0.123 4.228 4.350 0.002 0.000 0.194 139 E C 1.086 177.358 176.600 -0.547 0.000 0.988 139 E CA 1.335 57.461 56.400 -0.456 0.000 0.811 139 E CB -0.391 28.902 29.700 -0.678 0.000 0.746 139 E HN 0.775 nan 8.360 nan 0.000 0.466 140 Y N -1.508 118.725 120.300 -0.111 0.000 2.558 140 Y HA 0.315 4.866 4.550 0.001 0.000 0.273 140 Y C 0.426 176.201 175.900 -0.209 0.000 1.100 140 Y CA -0.018 58.006 58.100 -0.126 0.000 1.276 140 Y CB 1.007 39.404 38.460 -0.106 0.000 1.196 140 Y HN -0.186 nan 8.280 nan 0.000 0.527 141 V N 2.432 122.243 119.914 -0.172 0.000 2.315 141 V HA 0.224 4.345 4.120 0.002 0.000 0.265 141 V C -2.074 173.826 176.094 -0.323 0.000 1.019 141 V CA -1.374 60.678 62.300 -0.413 0.000 0.824 141 V CB 1.117 32.413 31.823 -0.878 0.000 1.072 141 V HN -0.005 nan 8.190 nan 0.000 0.448 142 P HA -0.123 nan 4.420 nan 0.000 0.219 142 P C 1.227 178.442 177.300 -0.141 0.000 1.146 142 P CA 1.039 64.047 63.100 -0.154 0.000 0.808 142 P CB 0.427 32.057 31.700 -0.116 0.000 0.779 143 E N -1.065 119.036 120.200 -0.165 0.000 2.472 143 E HA -0.034 4.317 4.350 0.002 0.000 0.200 143 E C 1.441 177.989 176.600 -0.087 0.000 1.046 143 E CA 0.462 56.811 56.400 -0.086 0.000 0.871 143 E CB -0.815 28.891 29.700 0.010 0.000 0.806 143 E HN 0.278 nan 8.360 nan 0.000 0.533 144 L N 0.174 121.283 121.223 -0.190 0.000 2.591 144 L HA 0.213 4.554 4.340 0.002 0.000 0.228 144 L C 0.695 177.542 176.870 -0.039 0.000 1.133 144 L CA -0.559 54.215 54.840 -0.110 0.000 0.880 144 L CB -0.171 41.776 42.059 -0.187 0.000 1.033 144 L HN 0.023 nan 8.230 nan 0.000 0.450 145 A N -0.066 122.721 122.820 -0.054 0.000 2.561 145 A HA 0.345 4.666 4.320 0.002 0.000 0.234 145 A C 1.481 179.053 177.584 -0.019 0.000 1.055 145 A CA 0.792 52.807 52.037 -0.036 0.000 0.756 145 A CB -0.183 18.791 19.000 -0.043 0.000 0.986 145 A HN 0.583 nan 8.150 nan 0.000 0.505 146 G N 0.800 109.589 108.800 -0.019 0.000 2.176 146 G HA2 -0.166 3.795 3.960 0.002 0.000 0.253 146 G HA3 -0.166 3.795 3.960 0.002 0.000 0.253 146 G C 0.598 175.488 174.900 -0.017 0.000 0.979 146 G CA 1.134 46.224 45.100 -0.018 0.000 0.641 146 G HN 2.229 nan 8.290 nan 0.000 0.530 147 S N -1.581 114.115 115.700 -0.006 0.000 2.767 147 S HA 0.685 5.156 4.470 0.002 0.000 0.300 147 S C 1.255 175.824 174.600 -0.052 0.000 1.123 147 S CA 0.330 58.526 58.200 -0.007 0.000 0.992 147 S CB 1.836 65.074 63.200 0.063 0.000 1.138 147 S HN 1.217 nan 8.310 nan 0.000 0.550 148 V N 0.432 120.268 119.914 -0.130 0.000 2.867 148 V HA -0.054 4.067 4.120 0.002 0.000 0.260 148 V C 0.803 176.673 176.094 -0.373 0.000 1.099 148 V CA 1.440 63.577 62.300 -0.273 0.000 1.122 148 V CB -1.181 30.409 31.823 -0.388 0.000 0.708 148 V HN 0.821 nan 8.190 nan 0.000 0.490 149 Y N -0.476 119.793 120.300 -0.052 0.000 2.461 149 Y HA 0.294 4.845 4.550 0.001 0.000 0.277 149 Y C 0.831 176.694 175.900 -0.061 0.000 1.182 149 Y CA -0.322 57.746 58.100 -0.054 0.000 1.276 149 Y CB 0.019 38.444 38.460 -0.059 0.000 1.087 149 Y HN 0.238 nan 8.280 nan 0.000 0.519 150 D N 0.034 120.446 120.400 0.021 0.000 2.411 150 D HA 0.395 5.036 4.640 0.002 0.000 0.225 150 D C 0.973 177.260 176.300 -0.022 0.000 1.156 150 D CA 0.939 54.935 54.000 -0.006 0.000 0.874 150 D CB 0.545 41.333 40.800 -0.021 0.000 1.034 150 D HN 0.459 nan 8.370 nan 0.000 0.502 151 G N 4.733 113.525 108.800 -0.013 0.000 3.131 151 G HA2 -0.183 3.778 3.960 0.002 0.000 0.198 151 G HA3 -0.183 3.778 3.960 0.002 0.000 0.198 151 G C -1.951 172.947 174.900 -0.003 0.000 1.435 151 G CA -0.517 44.573 45.100 -0.017 0.000 1.016 151 G HN 0.540 nan 8.290 nan 0.000 0.499 152 P HA 0.435 nan 4.420 nan 0.000 0.268 152 P C 0.400 177.733 177.300 0.055 0.000 1.208 152 P CA 0.667 63.782 63.100 0.026 0.000 0.777 152 P CB 1.097 32.812 31.700 0.025 0.000 0.875 153 S N 0.297 116.032 115.700 0.057 0.000 2.632 153 S HA 0.150 4.621 4.470 0.002 0.000 0.267 153 S C 1.243 175.904 174.600 0.103 0.000 1.276 153 S CA -0.681 57.563 58.200 0.074 0.000 0.998 153 S CB 0.444 63.682 63.200 0.063 0.000 0.953 153 S HN 0.147 nan 8.310 nan 0.000 0.547 154 V N 1.237 121.225 119.914 0.124 0.000 2.407 154 V HA -0.131 3.990 4.120 0.002 0.000 0.248 154 V C 2.336 178.502 176.094 0.119 0.000 1.055 154 V CA 1.822 64.198 62.300 0.128 0.000 1.049 154 V CB -1.095 30.814 31.823 0.144 0.000 0.662 154 V HN 0.824 nan 8.190 nan 0.000 0.455 155 L N -0.012 121.277 121.223 0.110 0.000 2.083 155 L HA -0.186 4.155 4.340 0.002 0.000 0.209 155 L C 2.400 179.323 176.870 0.089 0.000 1.083 155 L CA 1.869 56.767 54.840 0.095 0.000 0.752 155 L CB -0.698 41.404 42.059 0.071 0.000 0.899 155 L HN 0.345 nan 8.230 nan 0.000 0.433 156 Q N -1.468 118.382 119.800 0.083 0.000 2.224 156 Q HA -0.137 4.204 4.340 0.002 0.000 0.203 156 Q C 2.117 178.175 176.000 0.096 0.000 0.970 156 Q CA 1.505 57.355 55.803 0.077 0.000 0.865 156 Q CB -0.052 28.720 28.738 0.057 0.000 0.922 156 Q HN 0.470 nan 8.270 nan 0.000 0.445 157 V N 0.733 120.720 119.914 0.121 0.000 2.323 157 V HA -0.237 3.884 4.120 0.002 0.000 0.244 157 V C 2.134 178.308 176.094 0.134 0.000 1.041 157 V CA 1.342 63.727 62.300 0.141 0.000 1.025 157 V CB -0.455 31.451 31.823 0.139 0.000 0.656 157 V HN 0.338 nan 8.190 nan 0.000 0.451 158 L N 0.044 121.351 121.223 0.140 0.000 2.043 158 L HA -0.220 4.121 4.340 0.002 0.000 0.212 158 L C 1.917 178.913 176.870 0.209 0.000 1.075 158 L CA 1.623 56.563 54.840 0.166 0.000 0.752 158 L CB -0.473 41.681 42.059 0.157 0.000 0.891 158 L HN 0.365 nan 8.230 nan 0.000 0.432 159 D N -1.089 119.422 120.400 0.185 0.000 2.339 159 D HA 0.089 4.730 4.640 0.002 0.000 0.217 159 D C 0.799 177.262 176.300 0.272 0.000 1.050 159 D CA 0.158 54.313 54.000 0.258 0.000 0.856 159 D CB 0.325 41.213 40.800 0.147 0.000 0.922 159 D HN 0.141 nan 8.370 nan 0.000 0.518 160 M N 0.237 119.923 119.600 0.143 0.000 2.253 160 M HA -0.272 4.208 4.480 0.002 0.000 0.195 160 M C -0.525 175.742 176.300 -0.054 0.000 0.512 160 M CA 0.649 55.930 55.300 -0.032 0.000 0.442 160 M CB -1.697 30.749 32.600 -0.256 0.000 1.189 160 M HN 0.082 nan 8.290 nan 0.000 0.923 161 Q N 0.585 120.395 119.800 0.016 0.000 2.404 161 Q HA 0.552 4.893 4.340 0.002 0.000 0.368 161 Q C -0.497 175.485 176.000 -0.029 0.000 0.939 161 Q CA -0.007 55.805 55.803 0.015 0.000 1.099 161 Q CB 0.730 29.506 28.738 0.064 0.000 1.284 161 Q HN 0.598 nan 8.270 nan 0.000 0.421 162 I N -0.043 120.476 120.570 -0.085 0.000 2.466 162 I HA 0.223 4.394 4.170 0.002 0.000 0.289 162 I C -0.101 175.927 176.117 -0.149 0.000 1.026 162 I CA -0.822 60.408 61.300 -0.116 0.000 1.078 162 I CB 2.190 40.098 38.000 -0.154 0.000 1.249 162 I HN -0.014 nan 8.210 nan 0.000 0.429 163 S N 7.023 122.649 115.700 -0.123 0.000 2.481 163 S HA 0.574 5.045 4.470 0.002 0.000 0.276 163 S C -0.506 174.014 174.600 -0.134 0.000 1.247 163 S CA -0.111 58.023 58.200 -0.111 0.000 1.053 163 S CB -0.106 63.050 63.200 -0.073 0.000 0.925 163 S HN 0.398 nan 8.310 nan 0.000 0.491 164 I N 3.523 124.022 120.570 -0.119 0.000 2.582 164 I HA 0.261 4.431 4.170 0.002 0.000 0.292 164 I C -0.695 175.413 176.117 -0.015 0.000 1.066 164 I CA -0.913 60.325 61.300 -0.104 0.000 1.053 164 I CB 2.062 39.982 38.000 -0.133 0.000 1.241 164 I HN 0.459 nan 8.210 nan 0.000 0.421 165 D N 5.632 126.029 120.400 -0.005 0.000 2.416 165 D HA 0.038 4.679 4.640 0.002 0.000 0.240 165 D C -1.337 175.023 176.300 0.100 0.000 1.250 165 D CA 0.565 54.582 54.000 0.029 0.000 0.967 165 D CB -0.064 40.732 40.800 -0.007 0.000 1.059 165 D HN 0.369 nan 8.370 nan 0.000 0.512 166 Y N 3.869 124.157 120.300 -0.020 0.000 2.535 166 Y HA 0.210 4.761 4.550 0.002 0.000 0.341 166 Y C -0.521 175.401 175.900 0.035 0.000 1.041 166 Y CA -1.196 56.914 58.100 0.017 0.000 1.307 166 Y CB 0.455 38.919 38.460 0.007 0.000 1.095 166 Y HN 0.158 nan 8.280 nan 0.000 0.534 167 N N 3.515 122.207 118.700 -0.014 0.000 2.452 167 N HA -0.008 4.733 4.740 0.002 0.000 0.266 167 N C 0.408 175.942 175.510 0.040 0.000 1.209 167 N CA 0.575 53.637 53.050 0.020 0.000 0.929 167 N CB 0.899 39.373 38.487 -0.021 0.000 1.063 167 N HN 0.667 nan 8.380 nan 0.000 0.472 168 E N 1.138 121.423 120.200 0.142 0.000 2.463 168 E HA -0.046 4.305 4.350 0.002 0.000 0.193 168 E C -0.553 176.155 176.600 0.181 0.000 1.041 168 E CA 0.013 56.534 56.400 0.202 0.000 0.879 168 E CB 0.068 29.905 29.700 0.227 0.000 0.997 168 E HN 0.563 nan 8.360 nan 0.000 0.478 169 D N 0.480 120.953 120.400 0.123 0.000 2.455 169 D HA -0.069 4.572 4.640 0.002 0.000 0.234 169 D C 0.741 177.119 176.300 0.130 0.000 1.224 169 D CA -0.167 53.906 54.000 0.123 0.000 0.999 169 D CB -0.290 40.556 40.800 0.078 0.000 1.072 169 D HN 0.041 nan 8.370 nan 0.000 0.514 170 Y N 3.177 123.523 120.300 0.077 0.000 2.274 170 Y HA -0.223 4.329 4.550 0.002 0.000 0.290 170 Y C 2.129 178.067 175.900 0.063 0.000 1.145 170 Y CA 1.786 59.932 58.100 0.077 0.000 1.203 170 Y CB 0.055 38.578 38.460 0.105 0.000 0.984 170 Y HN 0.367 nan 8.280 nan 0.000 0.533 171 V N -1.774 118.267 119.914 0.212 0.000 2.594 171 V HA -0.167 3.954 4.120 0.002 0.000 0.253 171 V C 0.713 176.828 176.094 0.036 0.000 1.069 171 V CA 1.566 63.950 62.300 0.140 0.000 1.082 171 V CB -0.702 31.197 31.823 0.127 0.000 0.680 171 V HN 0.278 nan 8.190 nan 0.000 0.469 172 D N 2.376 122.780 120.400 0.007 0.000 2.338 172 D HA 0.197 4.838 4.640 0.002 0.000 0.255 172 D C -1.203 175.050 176.300 -0.079 0.000 1.237 172 D CA -2.418 51.570 54.000 -0.021 0.000 0.883 172 D CB 1.701 42.496 40.800 -0.008 0.000 1.087 172 D HN 0.233 nan 8.370 nan 0.000 0.485 173 P HA -0.115 nan 4.420 nan 0.000 0.222 173 P C 0.810 178.063 177.300 -0.078 0.000 1.147 173 P CA 0.642 63.688 63.100 -0.089 0.000 0.790 173 P CB 0.222 31.895 31.700 -0.045 0.000 0.780 174 A N 0.297 123.085 122.820 -0.053 0.000 2.119 174 A HA 0.045 4.366 4.320 0.002 0.000 0.216 174 A C 1.340 178.891 177.584 -0.055 0.000 1.152 174 A CA 0.392 52.406 52.037 -0.038 0.000 0.708 174 A CB -1.120 17.868 19.000 -0.020 0.000 0.805 174 A HN 0.379 nan 8.150 nan 0.000 0.460 175 S N -0.047 115.603 115.700 -0.084 0.000 2.568 175 S HA 0.119 4.590 4.470 0.002 0.000 0.282 175 S C 0.540 175.050 174.600 -0.150 0.000 1.338 175 S CA 0.237 58.372 58.200 -0.107 0.000 1.045 175 S CB 0.813 63.949 63.200 -0.107 0.000 0.873 175 S HN 0.351 nan 8.310 nan 0.000 0.516 176 E N 1.454 121.519 120.200 -0.224 0.000 2.110 176 E HA -0.079 4.272 4.350 0.002 0.000 0.193 176 E C 1.907 178.256 176.600 -0.418 0.000 0.988 176 E CA 1.069 57.286 56.400 -0.304 0.000 0.804 176 E CB -0.479 28.825 29.700 -0.660 0.000 0.745 176 E HN 0.561 nan 8.360 nan 0.000 0.458 177 V N 0.348 120.003 119.914 -0.432 0.000 2.358 177 V HA -0.273 3.848 4.120 0.002 0.000 0.246 177 V C 2.164 178.225 176.094 -0.056 0.000 1.047 177 V CA 2.114 64.366 62.300 -0.080 0.000 1.035 177 V CB -0.070 31.877 31.823 0.207 0.000 0.658 177 V HN 0.307 nan 8.190 nan 0.000 0.452 178 Q N -1.094 118.509 119.800 -0.328 0.000 2.137 178 Q HA -0.144 4.197 4.340 0.002 0.000 0.198 178 Q C 2.156 178.006 176.000 -0.251 0.000 0.960 178 Q CA 1.893 57.367 55.803 -0.549 0.000 0.847 178 Q CB -0.028 28.226 28.738 -0.806 0.000 0.915 178 Q HN 0.690 nan 8.270 nan 0.000 0.448 179 T N -0.475 113.959 114.554 -0.199 0.000 2.788 179 T HA -0.189 4.162 4.350 0.002 0.000 0.268 179 T C 1.412 175.897 174.700 -0.359 0.000 1.044 179 T CA 1.533 63.542 62.100 -0.151 0.000 1.139 179 T CB -0.376 68.500 68.868 0.015 0.000 0.867 179 T HN 0.507 nan 8.240 nan 0.000 0.454 180 H N 0.667 119.279 119.070 -0.762 0.000 2.319 180 H HA -0.121 4.436 4.556 0.002 0.000 0.299 180 H C 1.968 177.070 175.328 -0.377 0.000 1.092 180 H CA 1.264 56.650 56.048 -1.104 0.000 1.302 180 H CB 0.142 29.528 29.762 -0.627 0.000 1.373 180 H HN 0.186 nan 8.280 nan 0.000 0.497 181 D N -0.118 120.274 120.400 -0.014 0.000 2.117 181 D HA -0.112 4.528 4.640 0.002 0.000 0.197 181 D C 2.329 178.611 176.300 -0.030 0.000 0.987 181 D CA 0.928 54.942 54.000 0.024 0.000 0.829 181 D CB -0.124 40.834 40.800 0.263 0.000 0.961 181 D HN 0.374 nan 8.370 nan 0.000 0.460 182 R N 0.214 120.688 120.500 -0.044 0.000 2.092 182 R HA 0.016 4.357 4.340 0.002 0.000 0.231 182 R C 2.268 178.538 176.300 -0.049 0.000 1.119 182 R CA 0.958 57.038 56.100 -0.034 0.000 0.970 182 R CB -0.199 30.079 30.300 -0.037 0.000 0.864 182 R HN 0.041 nan 8.270 nan 0.000 0.440 183 S N 0.470 116.122 115.700 -0.080 0.000 2.447 183 S HA -0.059 4.411 4.470 0.002 0.000 0.233 183 S C 1.682 176.254 174.600 -0.048 0.000 1.006 183 S CA 1.157 59.329 58.200 -0.046 0.000 0.957 183 S CB 0.204 63.379 63.200 -0.042 0.000 0.773 183 S HN 0.444 nan 8.310 nan 0.000 0.507 184 A N -0.205 122.555 122.820 -0.101 0.000 2.343 184 A HA 0.588 4.909 4.320 0.002 0.000 0.223 184 A C 1.473 178.917 177.584 -0.233 0.000 1.214 184 A CA 0.571 52.492 52.037 -0.193 0.000 0.900 184 A CB -0.145 18.631 19.000 -0.373 0.000 0.942 184 A HN 0.771 nan 8.150 nan 0.000 0.507 185 G N -2.665 106.062 108.800 -0.121 0.000 2.159 185 G HA2 -0.249 3.712 3.960 0.002 0.000 0.227 185 G HA3 -0.249 3.712 3.960 0.002 0.000 0.227 185 G C 0.380 175.305 174.900 0.042 0.000 0.986 185 G CA 0.329 45.404 45.100 -0.041 0.000 0.651 185 G HN 0.386 nan 8.290 nan 0.000 0.523 186 W N 0.316 121.425 121.300 -0.317 0.000 3.003 186 W HA 0.600 5.260 4.660 0.001 0.000 0.257 186 W C 1.427 177.878 176.519 -0.112 0.000 1.308 186 W CA 0.359 57.547 57.345 -0.261 0.000 1.529 186 W CB 0.257 29.514 29.460 -0.338 0.000 1.115 186 W HN 0.360 nan 8.180 nan 0.000 0.659 187 R N -1.372 119.194 120.500 0.109 0.000 2.739 187 R HA 0.353 4.694 4.340 0.002 0.000 0.271 187 R C -0.488 175.832 176.300 0.033 0.000 1.010 187 R CA -0.447 55.700 56.100 0.079 0.000 0.897 187 R CB 0.786 31.158 30.300 0.120 0.000 1.236 187 R HN -0.350 nan 8.270 nan 0.000 0.466 188 T N 3.391 117.960 114.554 0.025 0.000 2.902 188 T HA 0.173 4.524 4.350 0.002 0.000 0.301 188 T C 0.111 174.821 174.700 0.016 0.000 1.012 188 T CA 0.122 62.232 62.100 0.017 0.000 1.151 188 T CB 0.092 68.970 68.868 0.017 0.000 0.946 188 T HN 0.317 nan 8.240 nan 0.000 0.542 189 R N 2.621 123.130 120.500 0.015 0.000 2.679 189 R HA 0.242 4.583 4.340 0.002 0.000 0.268 189 R C 0.533 176.849 176.300 0.027 0.000 1.044 189 R CA 0.079 56.188 56.100 0.016 0.000 1.105 189 R CB 0.528 30.839 30.300 0.018 0.000 0.989 189 R HN 0.534 nan 8.270 nan 0.000 0.447 190 R N 0.636 121.152 120.500 0.026 0.000 2.732 190 R HA 0.162 4.503 4.340 0.002 0.000 0.278 190 R C -0.457 175.884 176.300 0.068 0.000 0.976 190 R CA -1.081 55.049 56.100 0.049 0.000 0.963 190 R CB 1.061 31.382 30.300 0.035 0.000 1.150 190 R HN 0.548 nan 8.270 nan 0.000 0.478 191 H N -0.017 119.059 119.070 0.010 0.000 3.034 191 H HA 0.107 4.663 4.556 0.001 0.000 0.324 191 H C 1.168 176.505 175.328 0.015 0.000 1.015 191 H CA 2.147 58.203 56.048 0.013 0.000 1.429 191 H CB 0.400 30.169 29.762 0.012 0.000 1.429 191 H HN 0.822 nan 8.280 nan 0.000 0.585 192 G N 3.709 112.208 108.800 -0.501 0.000 2.195 192 G HA2 -0.265 3.696 3.960 0.002 0.000 0.246 192 G HA3 -0.265 3.696 3.960 0.002 0.000 0.246 192 G C 0.057 174.881 174.900 -0.127 0.000 0.984 192 G CA 0.087 44.990 45.100 -0.329 0.000 0.633 192 G HN 0.702 nan 8.290 nan 0.000 0.525 193 D N 2.032 122.387 120.400 -0.075 0.000 2.400 193 D HA 0.444 5.085 4.640 0.002 0.000 0.238 193 D C -1.702 174.599 176.300 0.002 0.000 1.157 193 D CA -0.696 53.297 54.000 -0.013 0.000 0.889 193 D CB 0.554 41.353 40.800 -0.002 0.000 1.199 193 D HN 0.150 nan 8.370 nan 0.000 0.436 194 P HA 0.080 nan 4.420 nan 0.000 0.269 194 P C -0.079 177.245 177.300 0.040 0.000 1.215 194 P CA -0.152 62.987 63.100 0.065 0.000 0.780 194 P CB 0.635 32.426 31.700 0.152 0.000 0.898 195 A N 2.009 124.847 122.820 0.030 0.000 2.014 195 A HA -0.013 4.308 4.320 0.002 0.000 0.218 195 A C 0.494 178.084 177.584 0.010 0.000 1.163 195 A CA 1.734 53.782 52.037 0.017 0.000 0.652 195 A CB -0.815 18.197 19.000 0.019 0.000 0.808 195 A HN 0.737 nan 8.150 nan 0.000 0.449 196 D N -5.812 114.594 120.400 0.009 0.000 2.768 196 D HA 0.300 4.941 4.640 0.002 0.000 0.327 196 D C 0.350 176.621 176.300 -0.048 0.000 1.302 196 D CA 0.132 54.108 54.000 -0.040 0.000 0.897 196 D CB -0.117 40.638 40.800 -0.075 0.000 1.420 196 D HN -0.202 nan 8.370 nan 0.000 0.494 197 T N -0.967 113.497 114.554 -0.149 0.000 2.821 197 T HA -0.109 4.242 4.350 0.002 0.000 0.267 197 T C 1.306 175.898 174.700 -0.180 0.000 1.046 197 T CA 1.418 63.478 62.100 -0.066 0.000 1.139 197 T CB -0.594 68.308 68.868 0.056 0.000 0.871 197 T HN 0.381 nan 8.240 nan 0.000 0.454 198 Y N 1.607 121.639 120.300 -0.446 0.000 2.128 198 Y HA -0.095 4.455 4.550 0.001 0.000 0.284 198 Y C 2.623 178.372 175.900 -0.252 0.000 1.154 198 Y CA 0.881 58.525 58.100 -0.760 0.000 1.149 198 Y CB -0.605 37.124 38.460 -1.218 0.000 0.976 198 Y HN 0.283 nan 8.280 nan 0.000 0.505 199 E N -0.199 120.029 120.200 0.047 0.000 2.077 199 E HA -0.249 4.102 4.350 0.002 0.000 0.193 199 E C 2.079 178.742 176.600 0.106 0.000 0.989 199 E CA 1.204 57.661 56.400 0.094 0.000 0.800 199 E CB -0.402 29.344 29.700 0.077 0.000 0.746 199 E HN 0.426 nan 8.360 nan 0.000 0.452 200 F N 1.422 121.365 119.950 -0.012 0.000 2.126 200 F HA -0.204 4.324 4.527 0.001 0.000 0.299 200 F C 1.853 177.656 175.800 0.005 0.000 1.096 200 F CA 1.449 59.435 58.000 -0.024 0.000 1.255 200 F CB -0.240 38.720 39.000 -0.066 0.000 0.997 200 F HN 0.003 nan 8.300 nan 0.000 0.479 201 L N 0.086 121.289 121.223 -0.034 0.000 2.083 201 L HA -0.222 4.119 4.340 0.002 0.000 0.209 201 L C 2.563 179.446 176.870 0.023 0.000 1.083 201 L CA 1.835 56.658 54.840 -0.029 0.000 0.752 201 L CB -1.387 40.812 42.059 0.234 0.000 0.899 201 L HN 0.365 nan 8.230 nan 0.000 0.433 202 T N -4.451 110.165 114.554 0.103 0.000 3.051 202 T HA -0.124 4.227 4.350 0.002 0.000 0.269 202 T C 1.668 176.363 174.700 -0.009 0.000 1.127 202 T CA 1.236 63.398 62.100 0.103 0.000 1.107 202 T CB -0.621 68.337 68.868 0.150 0.000 0.898 202 T HN 0.476 nan 8.240 nan 0.000 0.517 203 T N -0.290 114.190 114.554 -0.123 0.000 3.100 203 T HA 0.337 4.688 4.350 0.002 0.000 0.253 203 T C 0.649 175.241 174.700 -0.180 0.000 1.118 203 T CA -0.384 61.626 62.100 -0.149 0.000 1.058 203 T CB -0.579 68.179 68.868 -0.183 0.000 0.953 203 T HN 0.389 nan 8.240 nan 0.000 0.515 204 L N 2.197 123.300 121.223 -0.200 0.000 2.380 204 L HA 0.486 4.827 4.340 0.002 0.000 0.273 204 L C 0.585 177.390 176.870 -0.109 0.000 1.138 204 L CA -0.639 54.103 54.840 -0.162 0.000 0.832 204 L CB 0.515 42.506 42.059 -0.113 0.000 1.124 204 L HN 0.096 nan 8.230 nan 0.000 0.454 205 R N 1.734 122.173 120.500 -0.102 0.000 2.888 205 R HA 0.833 5.174 4.340 0.002 0.000 0.266 205 R C -0.331 175.909 176.300 -0.100 0.000 1.020 205 R CA -0.845 55.199 56.100 -0.095 0.000 0.963 205 R CB 2.027 32.286 30.300 -0.068 0.000 1.197 205 R HN 0.775 nan 8.270 nan 0.000 0.481 206 G N -0.433 108.306 108.800 -0.102 0.000 2.649 206 G HA2 0.233 4.194 3.960 0.002 0.000 0.290 206 G HA3 0.233 4.194 3.960 0.002 0.000 0.290 206 G C -0.546 174.310 174.900 -0.073 0.000 1.426 206 G CA -0.544 44.500 45.100 -0.094 0.000 0.794 206 G HN 0.498 nan 8.290 nan 0.000 0.483 207 D N -1.659 118.705 120.400 -0.060 0.000 2.349 207 D HA 0.273 4.914 4.640 0.002 0.000 0.224 207 D C 1.655 177.927 176.300 -0.048 0.000 1.029 207 D CA 1.120 55.093 54.000 -0.045 0.000 0.879 207 D CB 0.141 40.922 40.800 -0.033 0.000 0.906 207 D HN 1.677 nan 8.370 nan 0.000 0.528 208 G N -0.042 108.720 108.800 -0.063 0.000 2.213 208 G HA2 -0.268 3.693 3.960 0.002 0.000 0.236 208 G HA3 -0.268 3.693 3.960 0.002 0.000 0.236 208 G C 0.407 175.275 174.900 -0.052 0.000 0.991 208 G CA 0.274 45.338 45.100 -0.060 0.000 0.629 208 G HN 0.847 nan 8.290 nan 0.000 0.517 209 S N 0.531 116.203 115.700 -0.047 0.000 2.580 209 S HA 0.710 5.181 4.470 0.002 0.000 0.274 209 S C 0.270 174.845 174.600 -0.042 0.000 1.329 209 S CA 0.979 59.158 58.200 -0.036 0.000 1.036 209 S CB 1.852 65.037 63.200 -0.026 0.000 0.919 209 S HN 1.718 nan 8.310 nan 0.000 0.515 210 T N -2.532 112.006 114.554 -0.027 0.000 2.838 210 T HA 0.808 5.159 4.350 0.002 0.000 0.292 210 T C 0.806 175.505 174.700 -0.002 0.000 1.113 210 T CA -0.261 61.826 62.100 -0.022 0.000 1.008 210 T CB 1.066 69.924 68.868 -0.018 0.000 1.259 210 T HN 1.913 nan 8.240 nan 0.000 0.520 211 G N 0.018 108.824 108.800 0.011 0.000 2.259 211 G HA2 -0.174 3.787 3.960 0.002 0.000 0.217 211 G HA3 -0.174 3.787 3.960 0.002 0.000 0.217 211 G C -0.100 174.830 174.900 0.050 0.000 1.001 211 G CA 0.198 45.316 45.100 0.029 0.000 0.627 211 G HN 1.054 nan 8.290 nan 0.000 0.501 212 E N 0.081 120.307 120.200 0.043 0.000 2.191 212 E HA 0.581 4.931 4.350 0.002 0.000 0.278 212 E C -0.484 176.167 176.600 0.085 0.000 0.972 212 E CA -1.196 55.248 56.400 0.074 0.000 0.804 212 E CB 0.755 30.488 29.700 0.054 0.000 1.110 212 E HN 0.186 nan 8.360 nan 0.000 0.394 213 F N 3.770 123.706 119.950 -0.024 0.000 2.578 213 F HA 0.052 4.580 4.527 0.002 0.000 0.381 213 F C -0.280 175.482 175.800 -0.064 0.000 1.069 213 F CA 0.517 58.471 58.000 -0.077 0.000 1.231 213 F CB 0.526 39.468 39.000 -0.097 0.000 1.086 213 F HN 0.414 nan 8.300 nan 0.000 0.564 214 Q N 6.549 125.877 119.800 -0.786 0.000 2.294 214 Q HA 0.155 4.496 4.340 0.002 0.000 0.264 214 Q C -1.827 173.567 176.000 -1.010 0.000 0.992 214 Q CA -0.995 54.361 55.803 -0.746 0.000 0.747 214 Q CB 0.993 29.525 28.738 -0.344 0.000 1.262 214 Q HN 0.731 nan 8.270 nan 0.000 0.452 215 Y N 3.537 123.087 120.300 -1.250 0.000 2.605 215 Y HA 0.268 4.819 4.550 0.002 0.000 0.336 215 Y C -0.946 174.676 175.900 -0.463 0.000 1.111 215 Y CA -0.396 57.215 58.100 -0.816 0.000 1.422 215 Y CB 0.494 38.804 38.460 -0.250 0.000 1.193 215 Y HN 0.673 nan 8.280 nan 0.000 0.526 216 C N 5.656 124.544 119.300 -0.687 0.000 2.716 216 C HA 0.325 4.786 4.460 0.002 0.000 0.366 216 C C 1.191 175.761 174.990 -0.701 0.000 1.073 216 C CA -0.359 58.202 59.018 -0.761 0.000 1.260 216 C CB 0.352 27.709 27.740 -0.638 0.000 1.755 216 C HN 0.966 nan 8.230 nan 0.000 0.475 217 S N 2.768 117.985 115.700 -0.806 0.000 2.419 217 S HA -0.136 4.335 4.470 0.002 0.000 0.235 217 S C 2.010 176.391 174.600 -0.366 0.000 1.019 217 S CA 1.651 59.397 58.200 -0.756 0.000 0.982 217 S CB -0.043 62.358 63.200 -1.330 0.000 0.789 217 S HN 1.061 nan 8.310 nan 0.000 0.490 218 A N 2.561 125.273 122.820 -0.179 0.000 1.978 218 A HA -0.170 4.151 4.320 0.002 0.000 0.220 218 A C 1.944 179.555 177.584 0.045 0.000 1.170 218 A CA 1.419 53.522 52.037 0.109 0.000 0.636 218 A CB -0.567 18.539 19.000 0.177 0.000 0.810 218 A HN 0.451 nan 8.150 nan 0.000 0.448 219 N N -0.077 118.620 118.700 -0.005 0.000 2.104 219 N HA -0.119 4.622 4.740 0.002 0.000 0.190 219 N C 1.709 177.209 175.510 -0.017 0.000 1.024 219 N CA 2.031 55.099 53.050 0.030 0.000 0.853 219 N CB -0.780 37.719 38.487 0.022 0.000 1.008 219 N HN 0.519 nan 8.380 nan 0.000 0.424 220 T N 1.369 115.903 114.554 -0.034 0.000 2.821 220 T HA -0.072 4.279 4.350 0.002 0.000 0.267 220 T C 1.105 175.784 174.700 -0.036 0.000 1.046 220 T CA 1.025 63.109 62.100 -0.027 0.000 1.139 220 T CB -0.161 68.682 68.868 -0.041 0.000 0.871 220 T HN 0.190 nan 8.240 nan 0.000 0.454 221 D N 0.858 121.270 120.400 0.019 0.000 2.183 221 D HA -0.010 4.631 4.640 0.002 0.000 0.203 221 D C 2.243 178.658 176.300 0.191 0.000 0.969 221 D CA 0.458 54.527 54.000 0.115 0.000 0.842 221 D CB -0.382 40.578 40.800 0.265 0.000 0.957 221 D HN 0.204 nan 8.370 nan 0.000 0.484 222 V N 1.277 121.223 119.914 0.054 0.000 2.343 222 V HA -0.214 3.907 4.120 0.002 0.000 0.247 222 V C 2.632 178.754 176.094 0.047 0.000 1.051 222 V CA 1.078 63.373 62.300 -0.008 0.000 1.036 222 V CB -0.433 31.104 31.823 -0.476 0.000 0.654 222 V HN 0.209 nan 8.190 nan 0.000 0.451 223 L N 0.068 121.300 121.223 0.015 0.000 2.042 223 L HA -0.187 4.154 4.340 0.002 0.000 0.210 223 L C 2.738 179.646 176.870 0.063 0.000 1.076 223 L CA 1.696 56.552 54.840 0.027 0.000 0.749 223 L CB -0.837 41.239 42.059 0.027 0.000 0.893 223 L HN 0.375 nan 8.230 nan 0.000 0.432 224 A N -0.767 122.071 122.820 0.029 0.000 1.933 224 A HA -0.255 4.066 4.320 0.002 0.000 0.218 224 A C 2.065 179.869 177.584 0.366 0.000 1.175 224 A CA 1.293 53.327 52.037 -0.006 0.000 0.628 224 A CB -0.906 17.792 19.000 -0.503 0.000 0.814 224 A HN 0.626 nan 8.150 nan 0.000 0.444 225 W N 0.898 122.308 121.300 0.184 0.000 2.355 225 W HA -0.151 4.509 4.660 0.001 0.000 0.309 225 W C 1.867 178.442 176.519 0.092 0.000 1.206 225 W CA 1.383 58.819 57.345 0.151 0.000 1.284 225 W CB -0.815 28.689 29.460 0.073 0.000 1.145 225 W HN 0.346 nan 8.180 nan 0.000 0.502 226 I N -0.170 120.525 120.570 0.208 0.000 2.163 226 I HA -0.357 3.814 4.170 0.002 0.000 0.243 226 I C 2.313 178.447 176.117 0.030 0.000 1.085 226 I CA 1.536 62.850 61.300 0.023 0.000 1.347 226 I CB -1.110 36.835 38.000 -0.092 0.000 1.044 226 I HN -0.294 nan 8.210 nan 0.000 0.408 227 V N 0.778 120.741 119.914 0.081 0.000 2.282 227 V HA -0.320 3.801 4.120 0.002 0.000 0.249 227 V C 2.396 178.582 176.094 0.152 0.000 1.057 227 V CA 2.073 64.420 62.300 0.079 0.000 1.032 227 V CB -0.693 31.240 31.823 0.182 0.000 0.645 227 V HN 0.464 nan 8.190 nan 0.000 0.447 228 E N -0.520 119.847 120.200 0.278 0.000 2.077 228 E HA -0.193 4.157 4.350 0.002 0.000 0.193 228 E C 2.518 179.243 176.600 0.208 0.000 0.989 228 E CA 0.870 57.442 56.400 0.286 0.000 0.800 228 E CB -0.166 29.767 29.700 0.389 0.000 0.746 228 E HN 0.391 nan 8.360 nan 0.000 0.452 229 R N 0.473 121.097 120.500 0.207 0.000 2.115 229 R HA -0.055 4.286 4.340 0.002 0.000 0.230 229 R C 2.310 178.668 176.300 0.097 0.000 1.111 229 R CA 0.603 56.785 56.100 0.137 0.000 0.976 229 R CB -0.585 29.779 30.300 0.108 0.000 0.870 229 R HN 0.129 nan 8.270 nan 0.000 0.445 230 V N 0.629 120.583 119.914 0.066 0.000 2.453 230 V HA -0.156 3.965 4.120 0.002 0.000 0.247 230 V C 2.328 178.451 176.094 0.048 0.000 1.048 230 V CA 2.215 64.536 62.300 0.034 0.000 1.049 230 V CB -0.497 31.275 31.823 -0.086 0.000 0.672 230 V HN 0.483 nan 8.190 nan 0.000 0.457 231 T N -3.618 110.975 114.554 0.065 0.000 3.037 231 T HA 0.290 4.641 4.350 0.002 0.000 0.252 231 T C 1.671 176.437 174.700 0.110 0.000 1.073 231 T CA 1.028 63.190 62.100 0.102 0.000 1.091 231 T CB 0.711 69.670 68.868 0.151 0.000 0.935 231 T HN 0.887 nan 8.240 nan 0.000 0.488 232 G N 1.484 110.348 108.800 0.106 0.000 2.184 232 G HA2 -0.209 3.752 3.960 0.002 0.000 0.264 232 G HA3 -0.209 3.752 3.960 0.002 0.000 0.264 232 G C -0.056 174.906 174.900 0.104 0.000 0.975 232 G CA 0.376 45.531 45.100 0.093 0.000 0.642 232 G HN 0.651 nan 8.290 nan 0.000 0.536 233 L N 0.452 121.757 121.223 0.137 0.000 2.325 233 L HA 0.524 4.865 4.340 0.002 0.000 0.279 233 L C 1.322 178.296 176.870 0.173 0.000 1.054 233 L CA -1.179 53.744 54.840 0.139 0.000 0.804 233 L CB 0.901 43.056 42.059 0.160 0.000 1.200 233 L HN 0.088 nan 8.230 nan 0.000 0.436 234 R N 0.648 121.237 120.500 0.149 0.000 2.638 234 R HA -0.125 4.216 4.340 0.002 0.000 0.268 234 R C 0.631 177.064 176.300 0.221 0.000 1.006 234 R CA 0.110 56.328 56.100 0.197 0.000 1.088 234 R CB 0.241 30.620 30.300 0.132 0.000 0.950 234 R HN 0.507 nan 8.270 nan 0.000 0.419 235 Y N 3.329 123.745 120.300 0.193 0.000 2.207 235 Y HA -0.262 4.289 4.550 0.002 0.000 0.287 235 Y C 1.820 177.757 175.900 0.062 0.000 1.156 235 Y CA 1.772 59.949 58.100 0.128 0.000 1.182 235 Y CB -0.081 38.419 38.460 0.068 0.000 0.979 235 Y HN 0.414 nan 8.280 nan 0.000 0.521 236 V N 0.532 120.432 119.914 -0.022 0.000 2.282 236 V HA -0.370 3.751 4.120 0.002 0.000 0.249 236 V C 2.402 178.436 176.094 -0.099 0.000 1.057 236 V CA 2.476 64.722 62.300 -0.091 0.000 1.032 236 V CB -0.681 31.155 31.823 0.021 0.000 0.645 236 V HN 0.528 nan 8.190 nan 0.000 0.447 237 E N -0.261 119.929 120.200 -0.017 0.000 2.076 237 E HA -0.118 4.233 4.350 0.002 0.000 0.190 237 E C 2.238 178.841 176.600 0.006 0.000 0.979 237 E CA 0.975 57.381 56.400 0.011 0.000 0.807 237 E CB -0.212 29.519 29.700 0.052 0.000 0.761 237 E HN 0.551 nan 8.360 nan 0.000 0.454 238 A N 1.182 124.016 122.820 0.023 0.000 1.933 238 A HA -0.170 4.151 4.320 0.002 0.000 0.218 238 A C 2.129 179.750 177.584 0.063 0.000 1.175 238 A CA 1.244 53.373 52.037 0.152 0.000 0.628 238 A CB -0.638 18.465 19.000 0.172 0.000 0.814 238 A HN 0.396 nan 8.150 nan 0.000 0.444 239 L N -0.299 120.770 121.223 -0.258 0.000 2.131 239 L HA -0.083 4.258 4.340 0.002 0.000 0.210 239 L C 2.557 179.435 176.870 0.014 0.000 1.092 239 L CA 2.441 57.142 54.840 -0.233 0.000 0.759 239 L CB -0.651 41.102 42.059 -0.510 0.000 0.903 239 L HN 0.367 nan 8.230 nan 0.000 0.435 240 S N -1.763 113.945 115.700 0.014 0.000 2.345 240 S HA -0.168 4.303 4.470 0.002 0.000 0.219 240 S C 1.922 176.560 174.600 0.063 0.000 1.031 240 S CA 1.704 59.968 58.200 0.108 0.000 0.984 240 S CB -0.473 62.770 63.200 0.072 0.000 0.874 240 S HN 0.598 nan 8.310 nan 0.000 0.451 241 T N 0.485 115.025 114.554 -0.023 0.000 2.746 241 T HA -0.060 4.291 4.350 0.002 0.000 0.267 241 T C 1.196 175.721 174.700 -0.292 0.000 1.039 241 T CA 1.686 63.670 62.100 -0.195 0.000 1.142 241 T CB -0.414 68.250 68.868 -0.341 0.000 0.866 241 T HN 0.571 nan 8.240 nan 0.000 0.444 242 Y N -0.715 119.590 120.300 0.008 0.000 2.500 242 Y HA 0.403 4.954 4.550 0.002 0.000 0.270 242 Y C 1.529 177.438 175.900 0.014 0.000 1.134 242 Y CA -0.152 57.947 58.100 -0.001 0.000 1.293 242 Y CB 0.300 38.750 38.460 -0.017 0.000 1.063 242 Y HN 0.102 nan 8.280 nan 0.000 0.534 243 L N -2.660 118.661 121.223 0.163 0.000 2.865 243 L HA 0.136 4.476 4.340 0.002 0.000 0.167 243 L C 1.654 178.609 176.870 0.141 0.000 1.135 243 L CA 0.500 55.433 54.840 0.155 0.000 0.895 243 L CB -0.850 41.337 42.059 0.214 0.000 1.643 243 L HN 0.198 nan 8.230 nan 0.000 0.518 244 W N 1.230 122.535 121.300 0.009 0.000 2.358 244 W HA -0.118 4.543 4.660 0.002 0.000 0.303 244 W C 1.895 178.415 176.519 0.002 0.000 1.208 244 W CA 1.940 59.291 57.345 0.009 0.000 1.274 244 W CB 0.025 29.486 29.460 0.001 0.000 1.138 244 W HN 0.409 nan 8.180 nan 0.000 0.515 245 A N 0.173 123.056 122.820 0.106 0.000 2.168 245 A HA -0.131 4.190 4.320 0.002 0.000 0.215 245 A C 1.758 179.309 177.584 -0.054 0.000 1.152 245 A CA 1.106 53.155 52.037 0.021 0.000 0.716 245 A CB -0.431 18.589 19.000 0.032 0.000 0.794 245 A HN 0.303 nan 8.150 nan 0.000 0.465 246 K N -0.595 119.762 120.400 -0.072 0.000 2.374 246 K HA 0.309 4.630 4.320 0.002 0.000 0.196 246 K C 0.881 177.408 176.600 -0.120 0.000 1.023 246 K CA -0.011 56.229 56.287 -0.078 0.000 1.103 246 K CB 0.142 32.614 32.500 -0.047 0.000 0.848 246 K HN 0.418 nan 8.250 nan 0.000 0.528 247 L N 0.703 121.796 121.223 -0.217 0.000 2.492 247 L HA 0.001 4.342 4.340 0.002 0.000 0.223 247 L C 0.089 176.824 176.870 -0.224 0.000 1.132 247 L CA 0.120 54.798 54.840 -0.271 0.000 0.850 247 L CB -0.342 41.407 42.059 -0.516 0.000 0.966 247 L HN 0.241 nan 8.230 nan 0.000 0.454 248 D N 1.074 121.364 120.400 -0.184 0.000 2.697 248 D HA -0.179 4.462 4.640 0.002 0.000 0.238 248 D C 0.332 176.538 176.300 -0.156 0.000 1.152 248 D CA 0.647 54.568 54.000 -0.131 0.000 0.666 248 D CB -0.392 40.356 40.800 -0.086 0.000 1.037 248 D HN 0.351 nan 8.370 nan 0.000 0.423 249 A N 0.552 123.227 122.820 -0.241 0.000 2.386 249 A HA 0.291 4.612 4.320 0.002 0.000 0.248 249 A C 1.370 178.927 177.584 -0.045 0.000 1.082 249 A CA 0.216 52.123 52.037 -0.216 0.000 0.789 249 A CB 0.504 19.247 19.000 -0.429 0.000 1.025 249 A HN 0.278 nan 8.150 nan 0.000 0.490 250 D N 0.345 120.752 120.400 0.011 0.000 2.123 250 D HA -0.015 4.626 4.640 0.002 0.000 0.200 250 D C 0.557 176.904 176.300 0.079 0.000 0.976 250 D CA 1.313 55.336 54.000 0.038 0.000 0.831 250 D CB 0.150 40.974 40.800 0.040 0.000 0.974 250 D HN 0.547 nan 8.370 nan 0.000 0.469 251 R N 0.651 121.245 120.500 0.155 0.000 2.837 251 R HA 0.258 4.599 4.340 0.002 0.000 0.271 251 R C -0.812 175.692 176.300 0.340 0.000 0.993 251 R CA -0.863 55.344 56.100 0.179 0.000 0.931 251 R CB 1.463 31.841 30.300 0.130 0.000 1.206 251 R HN -0.150 nan 8.270 nan 0.000 0.474 252 D N 1.010 121.548 120.400 0.231 0.000 2.419 252 D HA 0.120 4.761 4.640 0.002 0.000 0.236 252 D C 0.121 176.436 176.300 0.026 0.000 1.165 252 D CA 0.543 54.658 54.000 0.191 0.000 0.882 252 D CB 0.655 41.486 40.800 0.051 0.000 1.201 252 D HN 0.541 nan 8.370 nan 0.000 0.443 253 A N 1.130 123.659 122.820 -0.484 0.000 2.246 253 A HA 0.638 4.959 4.320 0.002 0.000 0.291 253 A C 0.419 177.794 177.584 -0.349 0.000 1.103 253 A CA -0.351 51.300 52.037 -0.643 0.000 0.844 253 A CB 0.534 18.674 19.000 -1.433 0.000 1.136 253 A HN 0.598 nan 8.150 nan 0.000 0.500 254 T N -1.878 112.525 114.554 -0.252 0.000 2.916 254 T HA 0.700 5.051 4.350 0.002 0.000 0.292 254 T C -0.604 174.023 174.700 -0.121 0.000 1.064 254 T CA -0.489 61.522 62.100 -0.148 0.000 1.011 254 T CB 1.244 70.061 68.868 -0.086 0.000 1.152 254 T HN 0.954 nan 8.240 nan 0.000 0.510 255 I N 1.861 122.393 120.570 -0.062 0.000 2.644 255 I HA 0.445 4.616 4.170 0.002 0.000 0.291 255 I C 0.099 176.236 176.117 0.034 0.000 1.180 255 I CA -0.676 60.620 61.300 -0.006 0.000 1.040 255 I CB 2.313 40.304 38.000 -0.015 0.000 1.255 255 I HN 1.120 nan 8.210 nan 0.000 0.422 256 T N 4.629 119.243 114.554 0.101 0.000 2.900 256 T HA 0.477 4.828 4.350 0.002 0.000 0.307 256 T C -0.073 174.657 174.700 0.049 0.000 1.065 256 T CA -0.385 61.774 62.100 0.100 0.000 1.105 256 T CB 1.114 70.131 68.868 0.248 0.000 0.979 256 T HN 0.562 nan 8.240 nan 0.000 0.544 257 V N -0.156 119.769 119.914 0.018 0.000 2.914 257 V HA 0.725 4.846 4.120 0.002 0.000 0.314 257 V C -0.312 175.769 176.094 -0.020 0.000 1.084 257 V CA -1.259 61.040 62.300 -0.002 0.000 0.963 257 V CB 1.734 33.580 31.823 0.039 0.000 1.025 257 V HN 1.089 nan 8.190 nan 0.000 0.432 258 D N 1.092 121.479 120.400 -0.022 0.000 2.478 258 D HA 0.230 4.870 4.640 0.002 0.000 0.274 258 D C 1.315 177.618 176.300 0.004 0.000 1.234 258 D CA 0.417 54.401 54.000 -0.027 0.000 1.069 258 D CB 0.387 41.167 40.800 -0.033 0.000 1.113 258 D HN 0.803 nan 8.370 nan 0.000 0.571 259 T N -4.359 110.195 114.554 -0.000 0.000 3.051 259 T HA -0.110 4.241 4.350 0.002 0.000 0.269 259 T C 1.548 176.260 174.700 0.021 0.000 1.127 259 T CA 1.399 63.509 62.100 0.017 0.000 1.107 259 T CB -1.005 67.873 68.868 0.017 0.000 0.898 259 T HN 0.601 nan 8.240 nan 0.000 0.517 260 T N -2.340 112.224 114.554 0.015 0.000 3.107 260 T HA 0.480 4.830 4.350 0.002 0.000 0.249 260 T C 1.817 176.541 174.700 0.039 0.000 1.096 260 T CA 0.433 62.547 62.100 0.022 0.000 1.012 260 T CB -0.333 68.557 68.868 0.037 0.000 0.977 260 T HN 0.825 nan 8.240 nan 0.000 0.527 261 G N 1.127 109.962 108.800 0.059 0.000 2.157 261 G HA2 -0.225 3.735 3.960 0.002 0.000 0.248 261 G HA3 -0.225 3.735 3.960 0.002 0.000 0.248 261 G C -0.221 174.761 174.900 0.136 0.000 0.979 261 G CA -0.099 45.050 45.100 0.082 0.000 0.650 261 G HN 0.639 nan 8.290 nan 0.000 0.529 262 F N 2.848 122.757 119.950 -0.067 0.000 2.472 262 F HA 0.570 5.098 4.527 0.002 0.000 0.364 262 F C 0.999 176.776 175.800 -0.037 0.000 1.090 262 F CA -0.594 57.345 58.000 -0.102 0.000 1.188 262 F CB 0.541 39.283 39.000 -0.430 0.000 1.105 262 F HN 0.288 nan 8.300 nan 0.000 0.536 263 G N 5.681 114.257 108.800 -0.372 0.000 2.380 263 G HA2 0.028 3.989 3.960 0.002 0.000 0.242 263 G HA3 0.028 3.989 3.960 0.002 0.000 0.242 263 G C -0.767 173.764 174.900 -0.616 0.000 1.298 263 G CA -0.546 44.380 45.100 -0.290 0.000 0.878 263 G HN 0.681 nan 8.290 nan 0.000 0.542 264 F N 3.776 123.428 119.950 -0.496 0.000 2.679 264 F HA 0.381 4.909 4.527 0.001 0.000 0.351 264 F C 1.532 177.000 175.800 -0.553 0.000 1.279 264 F CA -1.093 56.548 58.000 -0.599 0.000 1.227 264 F CB 0.165 38.825 39.000 -0.567 0.000 1.623 264 F HN 0.512 nan 8.300 nan 0.000 0.666 265 A N 3.803 126.205 122.820 -0.695 0.000 1.972 265 A HA -0.226 4.095 4.320 0.002 0.000 0.219 265 A C 2.340 179.664 177.584 -0.433 0.000 1.169 265 A CA 1.878 53.574 52.037 -0.570 0.000 0.635 265 A CB -1.136 17.311 19.000 -0.921 0.000 0.810 265 A HN 0.840 nan 8.150 nan 0.000 0.446 266 H N -2.681 115.995 119.070 -0.658 0.000 2.529 266 H HA 0.217 4.774 4.556 0.001 0.000 0.277 266 H C 1.283 176.319 175.328 -0.487 0.000 0.999 266 H CA 1.212 56.935 56.048 -0.540 0.000 1.256 266 H CB 0.100 29.513 29.762 -0.582 0.000 1.402 266 H HN 0.403 nan 8.280 nan 0.000 0.566 267 G N -0.279 108.060 108.800 -0.769 0.000 3.584 267 G HA2 0.086 4.047 3.960 0.002 0.000 0.201 267 G HA3 0.086 4.047 3.960 0.002 0.000 0.201 267 G C 1.259 176.202 174.900 0.071 0.000 1.176 267 G CA 0.201 45.111 45.100 -0.317 0.000 0.902 267 G HN 0.457 nan 8.290 nan 0.000 0.678 268 G N 0.672 109.519 108.800 0.079 0.000 3.233 268 G HA2 0.397 4.358 3.960 0.002 0.000 0.234 268 G HA3 0.397 4.358 3.960 0.002 0.000 0.234 268 G C 0.194 175.216 174.900 0.204 0.000 1.137 268 G CA 0.067 45.411 45.100 0.408 0.000 0.763 268 G HN 0.243 nan 8.290 nan 0.000 0.549 269 V N 1.293 121.266 119.914 0.099 0.000 2.583 269 V HA 0.455 4.576 4.120 0.002 0.000 0.287 269 V C 0.138 176.249 176.094 0.029 0.000 1.051 269 V CA -0.120 62.189 62.300 0.015 0.000 1.010 269 V CB 1.402 33.205 31.823 -0.032 0.000 0.988 269 V HN 0.160 nan 8.190 nan 0.000 0.478 270 S N 2.779 118.464 115.700 -0.026 0.000 2.513 270 S HA 0.818 5.289 4.470 0.002 0.000 0.299 270 S C -0.398 174.179 174.600 -0.037 0.000 1.087 270 S CA -0.575 57.632 58.200 0.011 0.000 1.012 270 S CB 1.618 64.823 63.200 0.009 0.000 1.044 270 S HN 1.146 nan 8.310 nan 0.000 0.485 271 C N 0.009 119.351 119.300 0.070 0.000 3.314 271 C HA 0.860 5.321 4.460 0.002 0.000 0.344 271 C C 0.228 175.359 174.990 0.234 0.000 1.461 271 C CA -0.895 58.190 59.018 0.112 0.000 1.249 271 C CB 0.601 28.413 27.740 0.121 0.000 1.632 271 C HN 0.868 nan 8.230 nan 0.000 0.452 272 T N -0.569 114.145 114.554 0.267 0.000 2.868 272 T HA 0.547 4.898 4.350 0.002 0.000 0.292 272 T C 1.215 176.086 174.700 0.285 0.000 1.028 272 T CA 0.349 62.613 62.100 0.273 0.000 1.059 272 T CB 1.134 70.125 68.868 0.205 0.000 0.991 272 T HN 1.966 nan 8.240 nan 0.000 0.531 273 A N 1.563 124.567 122.820 0.308 0.000 1.902 273 A HA -0.041 4.280 4.320 0.002 0.000 0.217 273 A C 2.414 180.112 177.584 0.190 0.000 1.181 273 A CA 1.733 53.912 52.037 0.237 0.000 0.623 273 A CB -0.895 18.265 19.000 0.267 0.000 0.818 273 A HN 0.861 nan 8.150 nan 0.000 0.443 274 R N 0.382 121.003 120.500 0.201 0.000 2.081 274 R HA -0.128 4.213 4.340 0.002 0.000 0.235 274 R C 1.299 177.662 176.300 0.106 0.000 1.131 274 R CA 2.099 58.281 56.100 0.136 0.000 0.960 274 R CB -0.640 29.734 30.300 0.124 0.000 0.856 274 R HN 0.478 nan 8.270 nan 0.000 0.436 275 D N -0.249 120.238 120.400 0.145 0.000 2.149 275 D HA -0.117 4.524 4.640 0.002 0.000 0.201 275 D C 1.730 178.105 176.300 0.125 0.000 0.972 275 D CA 0.857 54.919 54.000 0.103 0.000 0.835 275 D CB -0.227 40.730 40.800 0.260 0.000 0.966 275 D HN 0.169 nan 8.370 nan 0.000 0.476 276 L N 1.042 122.415 121.223 0.251 0.000 2.083 276 L HA -0.070 4.271 4.340 0.002 0.000 0.209 276 L C 2.053 179.018 176.870 0.159 0.000 1.083 276 L CA 1.491 56.484 54.840 0.255 0.000 0.752 276 L CB -0.682 41.516 42.059 0.232 0.000 0.899 276 L HN -0.042 nan 8.230 nan 0.000 0.433 277 A N -0.515 122.373 122.820 0.113 0.000 2.019 277 A HA -0.206 4.115 4.320 0.002 0.000 0.219 277 A C 2.343 179.960 177.584 0.056 0.000 1.164 277 A CA 1.551 53.636 52.037 0.081 0.000 0.644 277 A CB -0.543 18.488 19.000 0.052 0.000 0.805 277 A HN 0.534 nan 8.150 nan 0.000 0.449 278 R N -0.675 119.833 120.500 0.014 0.000 2.152 278 R HA -0.059 4.282 4.340 0.002 0.000 0.232 278 R C 1.858 178.151 176.300 -0.011 0.000 1.117 278 R CA 1.273 57.350 56.100 -0.038 0.000 0.981 278 R CB -0.477 29.741 30.300 -0.138 0.000 0.870 278 R HN 0.412 nan 8.270 nan 0.000 0.451 279 V N 0.179 120.120 119.914 0.044 0.000 2.358 279 V HA -0.131 3.990 4.120 0.002 0.000 0.246 279 V C 2.391 178.587 176.094 0.169 0.000 1.047 279 V CA 2.100 64.476 62.300 0.128 0.000 1.035 279 V CB -0.806 31.152 31.823 0.226 0.000 0.658 279 V HN 0.509 nan 8.190 nan 0.000 0.452 280 G N -0.056 108.846 108.800 0.170 0.000 2.408 280 G HA2 -0.295 3.666 3.960 0.002 0.000 0.217 280 G HA3 -0.295 3.666 3.960 0.002 0.000 0.217 280 G C 1.666 176.602 174.900 0.061 0.000 1.150 280 G CA 0.892 46.079 45.100 0.145 0.000 0.776 280 G HN 0.404 nan 8.290 nan 0.000 0.542 281 R N 0.094 120.622 120.500 0.046 0.000 2.091 281 R HA 0.008 4.349 4.340 0.002 0.000 0.238 281 R C 2.415 178.721 176.300 0.009 0.000 1.136 281 R CA 1.514 57.624 56.100 0.017 0.000 0.959 281 R CB -0.559 29.744 30.300 0.006 0.000 0.856 281 R HN 0.338 nan 8.270 nan 0.000 0.437 282 M N -0.641 118.971 119.600 0.019 0.000 2.117 282 M HA -0.157 4.324 4.480 0.002 0.000 0.262 282 M C 1.426 177.737 176.300 0.019 0.000 1.065 282 M CA 1.744 57.056 55.300 0.019 0.000 1.114 282 M CB -0.230 32.390 32.600 0.033 0.000 1.361 282 M HN 0.211 nan 8.290 nan 0.000 0.408 283 M N 0.286 119.898 119.600 0.019 0.000 2.175 283 M HA -0.114 4.367 4.480 0.002 0.000 0.264 283 M C 2.075 178.333 176.300 -0.069 0.000 1.063 283 M CA 1.285 56.561 55.300 -0.040 0.000 1.119 283 M CB -1.203 31.314 32.600 -0.137 0.000 1.377 283 M HN 0.330 nan 8.290 nan 0.000 0.415 284 L N -0.588 120.603 121.223 -0.054 0.000 2.554 284 L HA -0.082 4.258 4.340 0.002 0.000 0.226 284 L C 0.479 177.329 176.870 -0.032 0.000 1.137 284 L CA 0.273 55.081 54.840 -0.054 0.000 0.863 284 L CB -0.366 41.669 42.059 -0.041 0.000 0.985 284 L HN 0.149 nan 8.230 nan 0.000 0.451 285 D N 0.362 120.750 120.400 -0.020 0.000 2.491 285 D HA 0.179 4.820 4.640 0.002 0.000 0.228 285 D C 1.411 177.706 176.300 -0.008 0.000 1.183 285 D CA 0.456 54.448 54.000 -0.012 0.000 0.827 285 D CB 0.633 41.429 40.800 -0.008 0.000 0.989 285 D HN 0.246 nan 8.370 nan 0.000 0.494 286 G N 0.433 109.226 108.800 -0.012 0.000 2.153 286 G HA2 -0.235 3.726 3.960 0.002 0.000 0.252 286 G HA3 -0.235 3.726 3.960 0.002 0.000 0.252 286 G C 1.103 176.014 174.900 0.018 0.000 0.994 286 G CA 0.355 45.454 45.100 -0.002 0.000 0.698 286 G HN 0.834 nan 8.290 nan 0.000 0.521 287 G N -3.077 105.736 108.800 0.022 0.000 2.179 287 G HA2 0.050 4.011 3.960 0.002 0.000 0.220 287 G HA3 0.050 4.011 3.960 0.002 0.000 0.220 287 G C 0.260 175.173 174.900 0.022 0.000 0.990 287 G CA 0.360 45.482 45.100 0.038 0.000 0.646 287 G HN 1.606 nan 8.290 nan 0.000 0.517 288 V N 0.988 120.909 119.914 0.011 0.000 2.472 288 V HA 0.844 4.965 4.120 0.002 0.000 0.290 288 V C 0.675 176.766 176.094 -0.004 0.000 1.037 288 V CA 0.054 62.355 62.300 0.003 0.000 0.908 288 V CB 1.412 33.235 31.823 -0.000 0.000 0.985 288 V HN 1.106 nan 8.190 nan 0.000 0.454 289 A N 5.570 128.383 122.820 -0.012 0.000 2.344 289 A HA 0.853 5.174 4.320 0.002 0.000 0.307 289 A C -1.991 175.574 177.584 -0.032 0.000 1.151 289 A CA -1.721 50.300 52.037 -0.027 0.000 0.842 289 A CB 1.127 20.103 19.000 -0.039 0.000 1.350 289 A HN 0.605 nan 8.150 nan 0.000 0.459 290 P HA -0.096 nan 4.420 nan 0.000 0.216 290 P C 1.239 178.517 177.300 -0.037 0.000 1.150 290 P CA 2.007 65.083 63.100 -0.039 0.000 0.843 290 P CB 0.184 31.854 31.700 -0.049 0.000 0.787 291 G N -2.131 106.643 108.800 -0.044 0.000 3.042 291 G HA2 0.443 4.404 3.960 0.002 0.000 0.212 291 G HA3 0.443 4.404 3.960 0.002 0.000 0.212 291 G C 0.512 175.393 174.900 -0.031 0.000 1.166 291 G CA 0.417 45.493 45.100 -0.040 0.000 0.767 291 G HN 0.604 nan 8.290 nan 0.000 0.546 292 G N -0.717 108.068 108.800 -0.025 0.000 2.351 292 G HA2 0.136 4.097 3.960 0.002 0.000 0.353 292 G HA3 0.136 4.097 3.960 0.002 0.000 0.353 292 G C -0.733 174.161 174.900 -0.010 0.000 1.358 292 G CA -0.798 44.292 45.100 -0.017 0.000 0.995 292 G HN 0.426 nan 8.290 nan 0.000 0.611 293 R N -0.335 120.163 120.500 -0.004 0.000 2.537 293 R HA 0.476 4.817 4.340 0.002 0.000 0.280 293 R C 0.796 177.100 176.300 0.007 0.000 1.058 293 R CA 0.223 56.325 56.100 0.002 0.000 1.057 293 R CB 0.849 31.152 30.300 0.005 0.000 0.973 293 R HN 0.380 nan 8.270 nan 0.000 0.438 294 V N 4.783 124.702 119.914 0.008 0.000 2.599 294 V HA 0.055 4.176 4.120 0.002 0.000 0.237 294 V C 0.391 176.470 176.094 -0.026 0.000 1.081 294 V CA 1.000 63.308 62.300 0.014 0.000 1.107 294 V CB 0.620 32.459 31.823 0.027 0.000 0.808 294 V HN 0.712 nan 8.190 nan 0.000 0.486 295 V N -1.910 117.980 119.914 -0.039 0.000 3.126 295 V HA 0.791 4.912 4.120 0.002 0.000 0.314 295 V C -0.081 176.010 176.094 -0.005 0.000 1.138 295 V CA -0.501 61.733 62.300 -0.109 0.000 1.034 295 V CB 1.599 33.288 31.823 -0.223 0.000 1.075 295 V HN 0.357 nan 8.190 nan 0.000 0.442 296 S N 0.246 115.964 115.700 0.030 0.000 2.600 296 S HA 0.264 4.735 4.470 0.002 0.000 0.265 296 S C 0.795 175.462 174.600 0.112 0.000 1.325 296 S CA 0.007 58.254 58.200 0.078 0.000 1.002 296 S CB 0.772 64.031 63.200 0.098 0.000 0.921 296 S HN 0.827 nan 8.310 nan 0.000 0.554 297 E N 0.961 121.204 120.200 0.072 0.000 2.118 297 E HA -0.205 4.146 4.350 0.002 0.000 0.195 297 E C 1.465 178.104 176.600 0.066 0.000 0.992 297 E CA 1.733 58.166 56.400 0.055 0.000 0.804 297 E CB -0.493 29.224 29.700 0.030 0.000 0.741 297 E HN 0.922 nan 8.360 nan 0.000 0.458 298 D N 0.133 120.584 120.400 0.085 0.000 2.117 298 D HA -0.167 4.474 4.640 0.002 0.000 0.198 298 D C 1.692 178.052 176.300 0.099 0.000 0.982 298 D CA 0.931 54.975 54.000 0.074 0.000 0.828 298 D CB -0.144 40.704 40.800 0.080 0.000 0.967 298 D HN 0.238 nan 8.370 nan 0.000 0.464 299 W N 0.828 122.113 121.300 -0.025 0.000 2.335 299 W HA -0.206 4.455 4.660 0.001 0.000 0.311 299 W C 1.750 178.231 176.519 -0.063 0.000 1.213 299 W CA 1.098 58.427 57.345 -0.027 0.000 1.274 299 W CB -0.504 28.953 29.460 -0.004 0.000 1.148 299 W HN -0.091 nan 8.180 nan 0.000 0.498 300 V N 1.264 121.275 119.914 0.162 0.000 2.343 300 V HA -0.301 3.820 4.120 0.002 0.000 0.247 300 V C 2.651 178.666 176.094 -0.132 0.000 1.051 300 V CA 2.333 64.624 62.300 -0.015 0.000 1.036 300 V CB -1.034 30.791 31.823 0.003 0.000 0.654 300 V HN 0.151 nan 8.190 nan 0.000 0.451 301 R N -0.124 120.327 120.500 -0.083 0.000 2.091 301 R HA -0.162 4.179 4.340 0.002 0.000 0.238 301 R C 2.568 178.778 176.300 -0.150 0.000 1.136 301 R CA 1.627 57.666 56.100 -0.102 0.000 0.959 301 R CB -0.147 30.118 30.300 -0.059 0.000 0.856 301 R HN 0.460 nan 8.270 nan 0.000 0.437 302 R N -0.432 119.956 120.500 -0.187 0.000 2.092 302 R HA -0.068 4.273 4.340 0.002 0.000 0.231 302 R C 2.273 178.392 176.300 -0.302 0.000 1.119 302 R CA 1.317 57.274 56.100 -0.239 0.000 0.970 302 R CB -0.213 29.908 30.300 -0.298 0.000 0.864 302 R HN 0.100 nan 8.270 nan 0.000 0.440 303 V N 1.622 121.301 119.914 -0.391 0.000 2.295 303 V HA -0.228 3.893 4.120 0.002 0.000 0.246 303 V C 2.277 178.164 176.094 -0.346 0.000 1.049 303 V CA 1.672 63.717 62.300 -0.424 0.000 1.024 303 V CB -0.385 31.082 31.823 -0.593 0.000 0.648 303 V HN 0.291 nan 8.190 nan 0.000 0.447 304 L N -0.013 121.027 121.223 -0.304 0.000 2.201 304 L HA -0.105 4.236 4.340 0.002 0.000 0.212 304 L C 2.593 179.359 176.870 -0.173 0.000 1.105 304 L CA 1.303 55.996 54.840 -0.246 0.000 0.775 304 L CB -0.684 41.251 42.059 -0.207 0.000 0.913 304 L HN 0.368 nan 8.230 nan 0.000 0.440 305 A N -0.323 122.406 122.820 -0.152 0.000 2.016 305 A HA 0.322 4.643 4.320 0.002 0.000 0.217 305 A C 1.302 178.847 177.584 -0.066 0.000 1.162 305 A CA 0.978 52.956 52.037 -0.097 0.000 0.662 305 A CB -0.405 18.539 19.000 -0.093 0.000 0.812 305 A HN 0.479 nan 8.150 nan 0.000 0.450 306 G N -2.950 105.788 108.800 -0.104 0.000 2.661 306 G HA2 0.395 4.355 3.960 0.002 0.000 0.685 306 G HA3 0.395 4.355 3.960 0.002 0.000 0.685 306 G C 0.217 175.090 174.900 -0.046 0.000 1.298 306 G CA -0.357 44.705 45.100 -0.065 0.000 0.855 306 G HN 1.294 nan 8.290 nan 0.000 0.560 307 G N -1.178 107.614 108.800 -0.013 0.000 2.671 307 G HA2 0.714 4.675 3.960 0.002 0.000 0.275 307 G HA3 0.714 4.675 3.960 0.002 0.000 0.275 307 G C 0.535 175.495 174.900 0.100 0.000 1.368 307 G CA 0.877 45.982 45.100 0.008 0.000 1.044 307 G HN 1.848 nan 8.290 nan 0.000 0.543 308 S N -1.259 114.486 115.700 0.076 0.000 2.516 308 S HA 0.069 4.540 4.470 0.002 0.000 0.282 308 S C 1.214 175.929 174.600 0.192 0.000 1.286 308 S CA -0.251 58.005 58.200 0.094 0.000 1.066 308 S CB -0.187 63.046 63.200 0.054 0.000 0.884 308 S HN 0.568 nan 8.310 nan 0.000 0.491 309 H N 3.081 122.162 119.070 0.017 0.000 2.389 309 H HA -0.064 4.492 4.556 0.002 0.000 0.299 309 H C 1.466 176.823 175.328 0.047 0.000 1.081 309 H CA 1.380 57.448 56.048 0.035 0.000 1.345 309 H CB 0.287 30.068 29.762 0.033 0.000 1.393 309 H HN 0.618 nan 8.280 nan 0.000 0.520 310 E N 0.877 121.179 120.200 0.168 0.000 2.268 310 E HA -0.061 4.290 4.350 0.002 0.000 0.195 310 E C 2.195 178.860 176.600 0.108 0.000 0.995 310 E CA 0.706 57.175 56.400 0.114 0.000 0.836 310 E CB -0.023 29.722 29.700 0.074 0.000 0.763 310 E HN 0.425 nan 8.360 nan 0.000 0.491 311 A N 0.347 123.234 122.820 0.112 0.000 2.014 311 A HA -0.025 4.296 4.320 0.002 0.000 0.218 311 A C 1.320 179.002 177.584 0.163 0.000 1.163 311 A CA 0.485 52.597 52.037 0.125 0.000 0.652 311 A CB -0.307 18.766 19.000 0.121 0.000 0.808 311 A HN 0.247 nan 8.150 nan 0.000 0.449 312 M N 2.150 121.826 119.600 0.126 0.000 2.201 312 M HA 0.242 4.723 4.480 0.002 0.000 0.345 312 M C 0.566 176.971 176.300 0.174 0.000 1.352 312 M CA 0.609 55.976 55.300 0.113 0.000 1.218 312 M CB 0.182 32.807 32.600 0.041 0.000 1.512 312 M HN 0.209 nan 8.290 nan 0.000 0.447 313 T N -0.361 114.330 114.554 0.230 0.000 3.200 313 T HA 0.245 4.596 4.350 0.002 0.000 0.284 313 T C -0.037 174.797 174.700 0.224 0.000 1.009 313 T CA -0.601 61.615 62.100 0.192 0.000 0.907 313 T CB -0.414 68.544 68.868 0.151 0.000 1.120 313 T HN 0.556 nan 8.240 nan 0.000 0.534 314 D N 1.864 122.451 120.400 0.312 0.000 2.374 314 D HA 0.254 4.895 4.640 0.002 0.000 0.240 314 D C 1.056 177.520 176.300 0.272 0.000 1.229 314 D CA -0.278 53.920 54.000 0.330 0.000 0.895 314 D CB 1.131 42.229 40.800 0.496 0.000 1.046 314 D HN 0.207 nan 8.370 nan 0.000 0.498 315 K N 2.054 122.565 120.400 0.185 0.000 2.283 315 K HA -0.025 4.296 4.320 0.002 0.000 0.202 315 K C 1.904 178.570 176.600 0.110 0.000 1.048 315 K CA 0.762 57.125 56.287 0.127 0.000 0.948 315 K CB 0.164 32.716 32.500 0.087 0.000 0.742 315 K HN 0.496 nan 8.250 nan 0.000 0.458 316 G N 0.266 109.147 108.800 0.135 0.000 2.498 316 G HA2 -0.232 3.729 3.960 0.002 0.000 0.219 316 G HA3 -0.232 3.729 3.960 0.002 0.000 0.219 316 G C 1.097 176.057 174.900 0.100 0.000 1.119 316 G CA 0.429 45.579 45.100 0.083 0.000 0.766 316 G HN 0.228 nan 8.290 nan 0.000 0.552 317 F N 1.163 121.122 119.950 0.016 0.000 2.537 317 F HA 0.105 4.633 4.527 0.002 0.000 0.277 317 F C 2.778 178.649 175.800 0.119 0.000 1.013 317 F CA 1.476 59.518 58.000 0.070 0.000 1.332 317 F CB -0.326 38.779 39.000 0.176 0.000 1.108 317 F HN 0.103 nan 8.300 nan 0.000 0.679 318 T N -1.870 112.759 114.554 0.126 0.000 3.055 318 T HA -0.060 4.291 4.350 0.002 0.000 0.265 318 T C 1.603 176.259 174.700 -0.074 0.000 1.111 318 T CA 1.081 63.185 62.100 0.007 0.000 1.118 318 T CB -0.518 68.405 68.868 0.091 0.000 0.909 318 T HN 0.081 nan 8.240 nan 0.000 0.501 319 N N 1.475 120.132 118.700 -0.071 0.000 2.149 319 N HA -0.047 4.694 4.740 0.002 0.000 0.188 319 N C 1.847 177.230 175.510 -0.211 0.000 1.019 319 N CA 1.720 54.708 53.050 -0.104 0.000 0.857 319 N CB -0.624 37.819 38.487 -0.074 0.000 0.997 319 N HN 0.515 nan 8.380 nan 0.000 0.426 320 T N -0.834 113.496 114.554 -0.374 0.000 3.010 320 T HA 0.164 4.515 4.350 0.002 0.000 0.252 320 T C -0.051 174.144 174.700 -0.842 0.000 1.047 320 T CA 0.481 62.170 62.100 -0.686 0.000 1.140 320 T CB 0.102 68.353 68.868 -1.027 0.000 0.885 320 T HN 0.027 nan 8.240 nan 0.000 0.464 321 F N 2.077 121.820 119.950 -0.345 0.000 2.453 321 F HA 0.369 4.897 4.527 0.001 0.000 0.358 321 F C -1.855 173.776 175.800 -0.282 0.000 1.129 321 F CA -3.096 54.676 58.000 -0.379 0.000 1.200 321 F CB 1.296 39.865 39.000 -0.719 0.000 1.431 321 F HN -0.079 nan 8.300 nan 0.000 0.503 322 P HA -0.181 nan 4.420 nan 0.000 0.217 322 P C 0.340 177.627 177.300 -0.021 0.000 1.148 322 P CA 1.593 64.679 63.100 -0.023 0.000 0.828 322 P CB 0.453 32.144 31.700 -0.015 0.000 0.783 323 D N -0.442 119.928 120.400 -0.049 0.000 2.427 323 D HA 0.182 4.823 4.640 0.002 0.000 0.224 323 D C 1.217 177.292 176.300 -0.374 0.000 1.157 323 D CA 0.030 53.932 54.000 -0.163 0.000 0.828 323 D CB 0.085 40.854 40.800 -0.053 0.000 0.974 323 D HN 0.111 nan 8.370 nan 0.000 0.498 324 G N 0.525 109.229 108.800 -0.160 0.000 2.599 324 G HA2 0.446 4.407 3.960 0.002 0.000 0.264 324 G HA3 0.446 4.407 3.960 0.002 0.000 0.264 324 G C 0.213 175.125 174.900 0.020 0.000 1.200 324 G CA -0.051 45.046 45.100 -0.006 0.000 0.896 324 G HN 0.201 nan 8.290 nan 0.000 0.536 325 S N -1.437 114.354 115.700 0.153 0.000 2.703 325 S HA 0.605 5.076 4.470 0.002 0.000 0.273 325 S C -1.663 172.870 174.600 -0.111 0.000 1.178 325 S CA -0.896 57.300 58.200 -0.007 0.000 0.838 325 S CB 1.488 64.688 63.200 0.000 0.000 1.178 325 S HN 1.099 nan 8.310 nan 0.000 0.494 326 Y N 0.163 120.215 120.300 -0.413 0.000 2.433 326 Y HA 0.662 5.213 4.550 0.002 0.000 0.337 326 Y C -0.868 174.854 175.900 -0.298 0.000 1.026 326 Y CA -0.016 57.745 58.100 -0.565 0.000 1.037 326 Y CB 2.219 39.980 38.460 -1.166 0.000 1.245 326 Y HN 1.109 nan 8.280 nan 0.000 0.443 327 T N 5.596 119.893 114.554 -0.428 0.000 2.982 327 T HA 0.388 4.738 4.350 0.002 0.000 0.321 327 T C -0.861 173.659 174.700 -0.301 0.000 1.229 327 T CA -0.580 61.378 62.100 -0.236 0.000 1.044 327 T CB 0.906 69.659 68.868 -0.192 0.000 1.184 327 T HN 0.843 nan 8.240 nan 0.000 0.477 328 R N 3.253 123.666 120.500 -0.146 0.000 3.516 328 R HA -0.167 4.174 4.340 0.002 0.000 0.271 328 R C 0.042 176.369 176.300 0.045 0.000 1.098 328 R CA 0.861 56.933 56.100 -0.048 0.000 0.732 328 R CB -1.447 28.667 30.300 -0.310 0.000 1.152 328 R HN 0.800 nan 8.270 nan 0.000 0.455 329 Q N -4.496 115.203 119.800 -0.167 0.000 2.465 329 Q HA -0.232 4.109 4.340 0.002 0.000 0.248 329 Q C -0.846 174.793 176.000 -0.602 0.000 0.819 329 Q CA 2.030 57.685 55.803 -0.246 0.000 1.219 329 Q CB -1.644 27.066 28.738 -0.047 0.000 1.472 329 Q HN 0.601 nan 8.270 nan 0.000 0.630 330 W N -0.237 120.583 121.300 -0.800 0.000 2.736 330 W HA 0.573 5.234 4.660 0.002 0.000 0.335 330 W C -0.140 175.838 176.519 -0.900 0.000 1.059 330 W CA -0.635 56.365 57.345 -0.576 0.000 1.226 330 W CB 0.664 29.934 29.460 -0.316 0.000 1.416 330 W HN 0.039 nan 8.180 nan 0.000 0.505 331 W N 2.049 123.215 121.300 -0.222 0.000 2.316 331 W HA 0.479 5.140 4.660 0.001 0.000 0.311 331 W C -0.633 175.809 176.519 -0.128 0.000 1.217 331 W CA -0.343 56.838 57.345 -0.272 0.000 1.199 331 W CB 0.734 30.008 29.460 -0.310 0.000 1.202 331 W HN -0.006 nan 8.180 nan 0.000 0.528 332 C N 2.789 122.149 119.300 0.100 0.000 2.301 332 C HA 0.234 4.695 4.460 0.002 0.000 0.323 332 C C 1.791 176.834 174.990 0.089 0.000 1.265 332 C CA -0.531 58.498 59.018 0.018 0.000 1.503 332 C CB 0.277 27.976 27.740 -0.070 0.000 2.195 332 C HN 0.869 nan 8.230 nan 0.000 0.477 333 T N -0.615 113.834 114.554 -0.175 0.000 2.915 333 T HA 0.076 4.427 4.350 0.002 0.000 0.269 333 T C 1.705 176.262 174.700 -0.238 0.000 1.071 333 T CA 1.379 63.172 62.100 -0.511 0.000 1.132 333 T CB -0.361 67.935 68.868 -0.953 0.000 0.878 333 T HN 1.733 nan 8.240 nan 0.000 0.479 334 G N 2.723 111.428 108.800 -0.159 0.000 2.187 334 G HA2 -0.334 3.627 3.960 0.002 0.000 0.261 334 G HA3 -0.334 3.627 3.960 0.002 0.000 0.261 334 G C 0.032 174.907 174.900 -0.041 0.000 1.000 334 G CA 0.406 45.446 45.100 -0.099 0.000 0.718 334 G HN 1.085 nan 8.290 nan 0.000 0.519 335 N N 0.095 118.773 118.700 -0.037 0.000 2.327 335 N HA 0.276 5.017 4.740 0.002 0.000 0.257 335 N C 1.436 176.959 175.510 0.021 0.000 1.281 335 N CA 0.088 53.164 53.050 0.043 0.000 0.942 335 N CB 0.134 38.701 38.487 0.133 0.000 1.199 335 N HN 0.553 nan 8.380 nan 0.000 0.532 336 E N -0.705 119.521 120.200 0.043 0.000 2.333 336 E HA -0.169 4.182 4.350 0.002 0.000 0.198 336 E C 0.942 177.553 176.600 0.018 0.000 1.007 336 E CA 0.859 57.277 56.400 0.029 0.000 0.845 336 E CB -0.210 29.513 29.700 0.037 0.000 0.766 336 E HN 0.548 nan 8.360 nan 0.000 0.507 337 R N 0.082 120.595 120.500 0.021 0.000 2.280 337 R HA 0.119 4.460 4.340 0.002 0.000 0.195 337 R C 1.130 177.400 176.300 -0.050 0.000 0.935 337 R CA 0.442 56.545 56.100 0.006 0.000 1.033 337 R CB 0.364 30.694 30.300 0.050 0.000 0.964 337 R HN 0.336 nan 8.270 nan 0.000 0.489 338 G N 2.008 110.763 108.800 -0.074 0.000 2.198 338 G HA2 -0.322 3.639 3.960 0.002 0.000 0.260 338 G HA3 -0.322 3.639 3.960 0.002 0.000 0.260 338 G C -0.492 174.276 174.900 -0.221 0.000 1.025 338 G CA 0.154 45.179 45.100 -0.125 0.000 0.769 338 G HN 0.411 nan 8.290 nan 0.000 0.507 339 N N -0.944 117.580 118.700 -0.294 0.000 2.407 339 N HA 0.394 5.135 4.740 0.002 0.000 0.250 339 N C 0.096 175.261 175.510 -0.574 0.000 1.236 339 N CA 0.461 53.165 53.050 -0.577 0.000 0.879 339 N CB 1.091 39.046 38.487 -0.887 0.000 1.088 339 N HN 0.180 nan 8.380 nan 0.000 0.450 340 V N 0.538 120.100 119.914 -0.587 0.000 2.876 340 V HA 0.652 4.773 4.120 0.002 0.000 0.312 340 V C -0.434 175.527 176.094 -0.222 0.000 1.085 340 V CA -0.658 61.440 62.300 -0.337 0.000 0.945 340 V CB 2.044 33.683 31.823 -0.308 0.000 1.017 340 V HN 0.648 nan 8.190 nan 0.000 0.428 341 S N 1.169 116.954 115.700 0.141 0.000 2.536 341 S HA 0.725 5.196 4.470 0.002 0.000 0.271 341 S C -0.211 174.683 174.600 0.490 0.000 1.134 341 S CA -0.020 58.393 58.200 0.354 0.000 0.897 341 S CB 1.734 65.146 63.200 0.353 0.000 1.094 341 S HN 1.267 nan 8.310 nan 0.000 0.473 342 G N 2.585 111.588 108.800 0.339 0.000 2.467 342 G HA2 0.622 4.583 3.960 0.002 0.000 0.257 342 G HA3 0.622 4.583 3.960 0.002 0.000 0.257 342 G C -0.802 174.217 174.900 0.199 0.000 1.227 342 G CA -0.327 44.821 45.100 0.080 0.000 0.835 342 G HN 0.719 nan 8.290 nan 0.000 0.556 343 I N 0.698 121.399 120.570 0.217 0.000 2.619 343 I HA 0.604 4.775 4.170 0.002 0.000 0.292 343 I C 0.328 176.545 176.117 0.166 0.000 1.100 343 I CA -0.798 60.579 61.300 0.130 0.000 1.043 343 I CB 2.686 40.623 38.000 -0.105 0.000 1.239 343 I HN 0.681 nan 8.210 nan 0.000 0.420 344 G N 5.054 113.912 108.800 0.096 0.000 2.612 344 G HA2 0.682 4.643 3.960 0.002 0.000 0.298 344 G HA3 0.682 4.643 3.960 0.002 0.000 0.298 344 G C -0.579 174.330 174.900 0.014 0.000 1.336 344 G CA -0.862 44.309 45.100 0.118 0.000 0.953 344 G HN 0.734 nan 8.290 nan 0.000 0.482 345 I N -1.166 119.452 120.570 0.080 0.000 2.948 345 I HA 0.151 4.322 4.170 0.002 0.000 0.290 345 I C 0.777 176.799 176.117 -0.159 0.000 1.226 345 I CA 0.090 61.375 61.300 -0.025 0.000 1.413 345 I CB 0.114 38.164 38.000 0.083 0.000 1.352 345 I HN 0.821 nan 8.210 nan 0.000 0.597 346 H N 2.589 121.391 119.070 -0.446 0.000 3.080 346 H HA -0.148 4.409 4.556 0.001 0.000 0.254 346 H C 1.016 175.404 175.328 -1.566 0.000 1.179 346 H CA 0.947 56.574 56.048 -0.701 0.000 1.144 346 H CB -1.735 27.841 29.762 -0.309 0.000 1.261 346 H HN 1.445 nan 8.280 nan 0.000 0.333 347 G N 0.589 108.253 108.800 -1.892 0.000 2.215 347 G HA2 -0.203 3.758 3.960 0.002 0.000 0.198 347 G HA3 -0.203 3.758 3.960 0.002 0.000 0.198 347 G C -0.253 174.285 174.900 -0.604 0.000 1.047 347 G CA 0.055 44.126 45.100 -1.715 0.000 0.747 347 G HN 0.313 nan 8.290 nan 0.000 0.495 348 Q N 0.188 119.766 119.800 -0.370 0.000 2.278 348 Q HA 0.622 4.963 4.340 0.002 0.000 0.257 348 Q C -0.184 175.800 176.000 -0.027 0.000 0.928 348 Q CA -0.360 55.357 55.803 -0.144 0.000 0.932 348 Q CB 1.362 30.071 28.738 -0.048 0.000 1.221 348 Q HN 0.475 nan 8.270 nan 0.000 0.434 349 N N 1.374 120.097 118.700 0.038 0.000 2.310 349 N HA 0.408 5.149 4.740 0.002 0.000 0.292 349 N C -1.538 174.081 175.510 0.181 0.000 1.049 349 N CA -0.648 52.495 53.050 0.155 0.000 0.849 349 N CB 1.721 40.340 38.487 0.221 0.000 1.532 349 N HN 0.320 nan 8.380 nan 0.000 0.479 350 L N 2.946 124.309 121.223 0.234 0.000 2.297 350 L HA 0.493 4.834 4.340 0.002 0.000 0.277 350 L C -1.430 175.692 176.870 0.420 0.000 1.040 350 L CA -0.604 54.405 54.840 0.282 0.000 0.867 350 L CB 0.080 42.285 42.059 0.243 0.000 1.244 350 L HN 0.609 nan 8.230 nan 0.000 0.433 351 W N 7.873 129.271 121.300 0.164 0.000 2.429 351 W HA 0.473 5.134 4.660 0.001 0.000 0.314 351 W C -1.848 174.737 176.519 0.110 0.000 1.062 351 W CA -0.938 56.497 57.345 0.150 0.000 1.211 351 W CB 1.436 30.967 29.460 0.117 0.000 1.305 351 W HN 0.346 nan 8.180 nan 0.000 0.476 352 L N 5.740 126.862 121.223 -0.168 0.000 2.295 352 L HA 0.220 4.561 4.340 0.002 0.000 0.285 352 L C -0.410 176.279 176.870 -0.302 0.000 1.035 352 L CA -0.322 54.419 54.840 -0.165 0.000 0.806 352 L CB 1.445 43.373 42.059 -0.218 0.000 1.214 352 L HN 0.348 nan 8.230 nan 0.000 0.426 353 D N 4.231 124.590 120.400 -0.068 0.000 2.456 353 D HA 0.253 4.894 4.640 0.002 0.000 0.287 353 D C -1.508 174.777 176.300 -0.024 0.000 1.186 353 D CA -1.696 52.294 54.000 -0.017 0.000 0.916 353 D CB 1.222 42.122 40.800 0.166 0.000 1.029 353 D HN 0.170 nan 8.370 nan 0.000 0.498 354 P HA -0.199 nan 4.420 nan 0.000 0.217 354 P C 1.671 178.953 177.300 -0.030 0.000 1.148 354 P CA 0.310 63.372 63.100 -0.062 0.000 0.828 354 P CB 0.502 32.145 31.700 -0.095 0.000 0.783 355 L N 0.513 121.726 121.223 -0.018 0.000 2.043 355 L HA -0.124 4.217 4.340 0.002 0.000 0.212 355 L C 2.135 179.012 176.870 0.012 0.000 1.075 355 L CA 2.670 57.510 54.840 0.000 0.000 0.752 355 L CB -1.785 40.283 42.059 0.015 0.000 0.891 355 L HN 0.145 nan 8.230 nan 0.000 0.432 356 T N -5.457 109.112 114.554 0.025 0.000 3.134 356 T HA 0.162 4.513 4.350 0.002 0.000 0.260 356 T C 0.714 175.429 174.700 0.024 0.000 1.027 356 T CA 0.316 62.435 62.100 0.031 0.000 0.913 356 T CB -0.152 68.746 68.868 0.050 0.000 1.046 356 T HN 0.270 nan 8.240 nan 0.000 0.553 357 D N 0.527 120.933 120.400 0.012 0.000 2.772 357 D HA -0.155 4.486 4.640 0.002 0.000 0.233 357 D C -0.690 175.619 176.300 0.016 0.000 1.143 357 D CA 0.568 54.571 54.000 0.005 0.000 0.700 357 D CB -1.465 39.337 40.800 0.004 0.000 1.076 357 D HN 0.546 nan 8.370 nan 0.000 0.430 358 S N -1.180 114.539 115.700 0.032 0.000 2.568 358 S HA 0.795 5.266 4.470 0.002 0.000 0.302 358 S C -0.292 174.352 174.600 0.073 0.000 1.082 358 S CA -0.747 57.484 58.200 0.052 0.000 1.009 358 S CB 2.653 65.896 63.200 0.071 0.000 1.069 358 S HN 0.102 nan 8.310 nan 0.000 0.500 359 V N 2.725 122.684 119.914 0.073 0.000 2.540 359 V HA 0.540 4.661 4.120 0.002 0.000 0.302 359 V C -0.752 175.396 176.094 0.090 0.000 1.035 359 V CA -0.572 61.791 62.300 0.105 0.000 0.873 359 V CB 1.466 33.337 31.823 0.080 0.000 0.992 359 V HN 0.759 nan 8.190 nan 0.000 0.428 360 I N 4.410 125.080 120.570 0.167 0.000 2.389 360 I HA 0.476 4.646 4.170 0.002 0.000 0.288 360 I C -0.635 175.504 176.117 0.037 0.000 0.999 360 I CA -0.810 60.501 61.300 0.019 0.000 1.129 360 I CB 2.017 40.032 38.000 0.024 0.000 1.288 360 I HN 0.262 nan 8.210 nan 0.000 0.444 361 V N 6.662 126.514 119.914 -0.104 0.000 2.398 361 V HA 0.372 4.493 4.120 0.002 0.000 0.286 361 V C -0.080 175.964 176.094 -0.084 0.000 1.026 361 V CA -0.575 61.703 62.300 -0.037 0.000 0.868 361 V CB 1.660 33.475 31.823 -0.013 0.000 0.982 361 V HN 0.626 nan 8.190 nan 0.000 0.443 362 K N 5.575 125.984 120.400 0.015 0.000 2.545 362 K HA 0.659 4.980 4.320 0.002 0.000 0.252 362 K C -1.665 174.893 176.600 -0.070 0.000 0.948 362 K CA -0.559 55.763 56.287 0.058 0.000 0.827 362 K CB 1.281 33.872 32.500 0.153 0.000 1.128 362 K HN 0.608 nan 8.250 nan 0.000 0.429 363 L N 2.986 124.093 121.223 -0.195 0.000 2.333 363 L HA 0.524 4.865 4.340 0.002 0.000 0.280 363 L C -0.598 175.966 176.870 -0.511 0.000 1.004 363 L CA -0.580 53.963 54.840 -0.494 0.000 0.820 363 L CB 2.028 43.606 42.059 -0.802 0.000 1.247 363 L HN 0.650 nan 8.230 nan 0.000 0.416 364 S N 0.255 115.732 115.700 -0.372 0.000 2.732 364 S HA 0.634 5.105 4.470 0.002 0.000 0.293 364 S C -0.581 173.999 174.600 -0.035 0.000 1.159 364 S CA -0.761 57.345 58.200 -0.157 0.000 0.847 364 S CB 2.120 65.200 63.200 -0.200 0.000 1.169 364 S HN 0.579 nan 8.310 nan 0.000 0.501 365 S N 0.223 115.927 115.700 0.007 0.000 2.359 365 S HA 0.311 4.782 4.470 0.002 0.000 0.148 365 S C -0.886 173.670 174.600 -0.074 0.000 1.610 365 S CA -0.811 57.369 58.200 -0.033 0.000 1.274 365 S CB -0.312 62.888 63.200 -0.000 0.000 1.380 365 S HN 0.584 nan 8.310 nan 0.000 0.380 366 W N 2.415 123.513 121.300 -0.337 0.000 2.274 366 W HA 0.231 4.892 4.660 0.001 0.000 0.345 366 W C -1.953 174.213 176.519 -0.588 0.000 1.265 366 W CA -1.836 54.990 57.345 -0.865 0.000 1.293 366 W CB -0.686 28.133 29.460 -1.069 0.000 1.175 366 W HN 0.293 nan 8.180 nan 0.000 0.577 367 P HA -0.130 nan 4.420 nan 0.000 0.218 367 P C -0.081 177.287 177.300 0.115 0.000 1.149 367 P CA 1.692 64.683 63.100 -0.180 0.000 0.817 367 P CB 0.339 31.947 31.700 -0.153 0.000 0.785 368 D N -1.318 119.171 120.400 0.148 0.000 2.248 368 D HA 0.140 4.780 4.640 0.002 0.000 0.246 368 D C -1.657 174.584 176.300 -0.098 0.000 1.027 368 D CA -1.865 52.241 54.000 0.177 0.000 0.853 368 D CB 1.617 42.635 40.800 0.362 0.000 1.243 368 D HN -0.005 nan 8.370 nan 0.000 0.462 369 P HA -0.094 nan 4.420 nan 0.000 0.217 369 P C 0.052 177.350 177.300 -0.003 0.000 1.150 369 P CA 1.304 63.979 63.100 -0.707 0.000 0.832 369 P CB 0.589 32.084 31.700 -0.342 0.000 0.787 370 D N -0.561 119.981 120.400 0.237 0.000 2.296 370 D HA 0.174 4.815 4.640 0.002 0.000 0.224 370 D C -1.211 175.303 176.300 0.357 0.000 1.324 370 D CA -0.279 53.968 54.000 0.412 0.000 0.940 370 D CB 0.246 41.253 40.800 0.345 0.000 1.492 370 D HN -0.014 nan 8.370 nan 0.000 0.531 371 T N -0.243 114.530 114.554 0.364 0.000 2.906 371 T HA 0.461 4.812 4.350 0.002 0.000 0.295 371 T C 1.083 175.897 174.700 0.191 0.000 1.075 371 T CA -0.694 61.528 62.100 0.202 0.000 1.005 371 T CB 1.926 70.825 68.868 0.053 0.000 1.136 371 T HN 0.110 nan 8.240 nan 0.000 0.498 372 E N 0.058 120.321 120.200 0.106 0.000 2.085 372 E HA -0.260 4.091 4.350 0.002 0.000 0.194 372 E C 1.645 178.230 176.600 -0.026 0.000 0.994 372 E CA 1.762 58.200 56.400 0.064 0.000 0.801 372 E CB -0.321 29.387 29.700 0.013 0.000 0.743 372 E HN 0.859 nan 8.360 nan 0.000 0.453 373 H N -0.354 118.569 119.070 -0.245 0.000 2.289 373 H HA -0.187 4.370 4.556 0.002 0.000 0.296 373 H C 1.680 176.716 175.328 -0.487 0.000 1.091 373 H CA 2.248 58.036 56.048 -0.432 0.000 1.274 373 H CB -0.403 28.952 29.762 -0.679 0.000 1.364 373 H HN 0.219 nan 8.280 nan 0.000 0.490 374 W N -0.213 120.747 121.300 -0.568 0.000 2.381 374 W HA -0.123 4.538 4.660 0.001 0.000 0.301 374 W C 2.712 178.706 176.519 -0.875 0.000 1.205 374 W CA 0.752 57.410 57.345 -1.145 0.000 1.285 374 W CB -0.134 28.025 29.460 -2.169 0.000 1.133 374 W HN 0.349 nan 8.180 nan 0.000 0.521 375 H N 0.056 119.016 119.070 -0.184 0.000 2.387 375 H HA -0.111 4.446 4.556 0.001 0.000 0.299 375 H C 2.178 177.490 175.328 -0.026 0.000 1.090 375 H CA 1.803 57.889 56.048 0.063 0.000 1.332 375 H CB -0.372 29.465 29.762 0.126 0.000 1.386 375 H HN 0.206 nan 8.280 nan 0.000 0.516 376 R N 0.854 121.341 120.500 -0.021 0.000 2.083 376 R HA -0.112 4.229 4.340 0.002 0.000 0.237 376 R C 2.440 178.672 176.300 -0.113 0.000 1.137 376 R CA 1.180 57.225 56.100 -0.092 0.000 0.951 376 R CB -0.237 29.975 30.300 -0.146 0.000 0.851 376 R HN 0.208 nan 8.270 nan 0.000 0.434 377 L N 0.267 121.374 121.223 -0.194 0.000 2.046 377 L HA -0.184 4.157 4.340 0.002 0.000 0.208 377 L C 2.826 179.661 176.870 -0.059 0.000 1.077 377 L CA 1.608 56.355 54.840 -0.155 0.000 0.747 377 L CB -0.523 41.409 42.059 -0.211 0.000 0.896 377 L HN 0.345 nan 8.230 nan 0.000 0.432 378 Q N 0.310 120.118 119.800 0.014 0.000 2.046 378 Q HA -0.185 4.156 4.340 0.002 0.000 0.200 378 Q C 2.059 178.078 176.000 0.032 0.000 0.975 378 Q CA 1.619 57.488 55.803 0.109 0.000 0.836 378 Q CB 0.053 29.002 28.738 0.352 0.000 0.896 378 Q HN 0.368 nan 8.270 nan 0.000 0.428 379 N N -0.403 118.338 118.700 0.069 0.000 2.244 379 N HA -0.094 4.647 4.740 0.002 0.000 0.183 379 N C 1.602 177.085 175.510 -0.045 0.000 1.016 379 N CA 1.252 54.324 53.050 0.037 0.000 0.866 379 N CB -0.497 38.085 38.487 0.158 0.000 0.980 379 N HN 0.443 nan 8.380 nan 0.000 0.430 380 G N 1.194 109.965 108.800 -0.048 0.000 2.422 380 G HA2 -0.158 3.803 3.960 0.002 0.000 0.218 380 G HA3 -0.158 3.803 3.960 0.002 0.000 0.218 380 G C 1.683 176.534 174.900 -0.082 0.000 1.146 380 G CA 0.314 45.378 45.100 -0.060 0.000 0.769 380 G HN 0.257 nan 8.290 nan 0.000 0.547 381 I N 0.252 120.760 120.570 -0.103 0.000 2.202 381 I HA -0.097 4.074 4.170 0.002 0.000 0.242 381 I C 2.691 178.714 176.117 -0.156 0.000 1.091 381 I CA 0.652 61.878 61.300 -0.124 0.000 1.368 381 I CB -0.208 37.711 38.000 -0.135 0.000 1.058 381 I HN 0.118 nan 8.210 nan 0.000 0.410 382 L N 0.141 121.194 121.223 -0.283 0.000 2.083 382 L HA -0.220 4.121 4.340 0.002 0.000 0.209 382 L C 2.490 179.097 176.870 -0.438 0.000 1.083 382 L CA 1.312 55.796 54.840 -0.593 0.000 0.752 382 L CB -0.498 40.774 42.059 -1.311 0.000 0.899 382 L HN 0.270 nan 8.230 nan 0.000 0.433 383 L N -0.765 120.326 121.223 -0.220 0.000 2.072 383 L HA -0.172 4.169 4.340 0.002 0.000 0.205 383 L C 2.197 179.090 176.870 0.039 0.000 1.079 383 L CA 0.890 55.754 54.840 0.040 0.000 0.752 383 L CB -0.519 41.608 42.059 0.113 0.000 0.906 383 L HN 0.219 nan 8.230 nan 0.000 0.436 384 D N -0.309 120.085 120.400 -0.010 0.000 2.117 384 D HA -0.146 4.495 4.640 0.002 0.000 0.197 384 D C 2.328 178.639 176.300 0.018 0.000 0.987 384 D CA 1.056 55.056 54.000 0.000 0.000 0.829 384 D CB -0.138 40.646 40.800 -0.028 0.000 0.961 384 D HN 0.049 nan 8.370 nan 0.000 0.460 385 V N 0.631 120.552 119.914 0.012 0.000 2.358 385 V HA -0.208 3.913 4.120 0.002 0.000 0.246 385 V C 2.463 178.608 176.094 0.084 0.000 1.047 385 V CA 1.579 63.916 62.300 0.061 0.000 1.035 385 V CB -0.503 31.391 31.823 0.119 0.000 0.658 385 V HN 0.139 nan 8.190 nan 0.000 0.452 386 S N -0.311 115.451 115.700 0.103 0.000 2.359 386 S HA -0.226 4.245 4.470 0.002 0.000 0.224 386 S C 2.095 176.770 174.600 0.125 0.000 1.035 386 S CA 1.636 59.941 58.200 0.174 0.000 1.018 386 S CB -0.344 63.045 63.200 0.316 0.000 0.876 386 S HN 0.528 nan 8.310 nan 0.000 0.448 387 R N 1.023 121.585 120.500 0.103 0.000 2.115 387 R HA 0.048 4.389 4.340 0.002 0.000 0.230 387 R C 2.437 178.772 176.300 0.058 0.000 1.111 387 R CA 1.050 57.196 56.100 0.076 0.000 0.976 387 R CB -0.427 29.912 30.300 0.064 0.000 0.870 387 R HN 0.402 nan 8.270 nan 0.000 0.445 388 A N 0.838 123.691 122.820 0.055 0.000 2.125 388 A HA -0.071 4.250 4.320 0.002 0.000 0.219 388 A C 1.895 179.509 177.584 0.049 0.000 1.156 388 A CA 0.974 53.038 52.037 0.045 0.000 0.671 388 A CB -0.265 18.761 19.000 0.043 0.000 0.794 388 A HN 0.195 nan 8.150 nan 0.000 0.459 389 L N -0.450 120.809 121.223 0.060 0.000 2.558 389 L HA 0.067 4.408 4.340 0.002 0.000 0.225 389 L C -0.188 176.710 176.870 0.047 0.000 1.128 389 L CA -0.355 54.519 54.840 0.056 0.000 0.868 389 L CB -0.250 41.849 42.059 0.068 0.000 1.006 389 L HN 0.144 nan 8.230 nan 0.000 0.454 390 D N 1.532 121.960 120.400 0.047 0.000 2.399 390 D HA 0.197 4.838 4.640 0.002 0.000 0.241 390 D C 0.420 176.738 176.300 0.030 0.000 1.133 390 D CA 0.203 54.227 54.000 0.038 0.000 0.890 390 D CB 1.144 41.968 40.800 0.039 0.000 1.201 390 D HN 0.067 nan 8.370 nan 0.000 0.432 391 A N 1.491 124.326 122.820 0.025 0.000 2.498 391 A HA 0.406 4.727 4.320 0.002 0.000 0.239 391 A C 0.384 177.980 177.584 0.019 0.000 1.068 391 A CA -0.186 51.863 52.037 0.021 0.000 0.766 391 A CB 0.169 19.179 19.000 0.017 0.000 1.003 391 A HN 0.415 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.924 119.914 0.017 0.000 2.409 392 V HA 0.000 4.121 4.120 0.002 0.000 0.244 392 V CA 0.000 62.309 62.300 0.015 0.000 1.235 392 V CB 0.000 31.832 31.823 0.016 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556