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 2dcf_1_A DATA FIRST_RESID 5 DATA SEQUENCE STGQHPARYP GAAAGEPTLD SWQEPPHNRW AFAHLGEMVP SAAVSRRPXX DATA SEQUENCE XXGHALARLG AIAAQLPDLE QRLEQTYTDA FLVLRGTEVV AEYYRAGFAP DATA SEQUENCE DDRHLLMAVS KSLCGTVVGA LVDEGRIDPA QPVTEYVPEL AGSVYDGPSV DATA SEQUENCE LQVLDMQISI DYNEDYVDPA SEVQTHDRSA GWRTRRHGDP ADTYEFLTTL DATA SEQUENCE RGDGSTGEFQ YCSANTDVLA WIVERVTGLR YVEALSTYLW AKLDADRDAT DATA SEQUENCE ITVDTTGFGF ANGGVSCTAR 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 0.082 0.000 1.055 5 S CA 0.000 58.227 58.200 0.045 0.000 1.107 5 S CB 0.000 63.210 63.200 0.016 0.000 0.593 6 T N -0.671 113.946 114.554 0.105 0.000 3.085 6 T HA 0.634 4.985 4.350 0.003 0.000 0.264 6 T C 1.298 176.037 174.700 0.066 0.000 1.019 6 T CA 0.578 62.811 62.100 0.221 0.000 0.910 6 T CB -0.361 68.660 68.868 0.254 0.000 1.059 6 T HN 2.422 nan 8.240 nan 0.000 0.542 7 G N 1.558 110.297 108.800 -0.102 0.000 2.693 7 G HA2 -0.221 3.740 3.960 0.003 0.000 0.226 7 G HA3 -0.221 3.740 3.960 0.003 0.000 0.226 7 G C -0.584 173.991 174.900 -0.541 0.000 1.354 7 G CA -0.383 44.582 45.100 -0.225 0.000 0.873 7 G HN 0.776 nan 8.290 nan 0.000 0.562 8 Q N 0.375 119.930 119.800 -0.408 0.000 2.313 8 Q HA 0.437 4.778 4.340 0.003 0.000 0.266 8 Q C -0.249 175.405 176.000 -0.576 0.000 0.989 8 Q CA -0.209 55.362 55.803 -0.386 0.000 0.890 8 Q CB 0.257 28.891 28.738 -0.173 0.000 1.200 8 Q HN 0.632 nan 8.270 nan 0.000 0.396 9 H N 2.997 121.984 119.070 -0.137 0.000 2.747 9 H HA 0.404 4.962 4.556 0.002 0.000 0.371 9 H C -2.264 173.030 175.328 -0.056 0.000 1.161 9 H CA -2.258 53.699 56.048 -0.153 0.000 1.167 9 H CB 1.133 30.720 29.762 -0.291 0.000 1.732 9 H HN 0.612 nan 8.280 nan 0.000 0.544 10 P HA 0.149 nan 4.420 nan 0.000 0.267 10 P C -0.417 176.887 177.300 0.007 0.000 1.205 10 P CA -0.233 62.909 63.100 0.070 0.000 0.765 10 P CB 0.353 32.122 31.700 0.114 0.000 0.828 11 A N 3.284 126.061 122.820 -0.071 0.000 2.483 11 A HA 0.064 4.386 4.320 0.003 0.000 0.238 11 A C 1.686 179.113 177.584 -0.263 0.000 1.070 11 A CA -0.124 51.797 52.037 -0.193 0.000 0.770 11 A CB 0.075 18.922 19.000 -0.255 0.000 1.008 11 A HN 0.536 nan 8.150 nan 0.000 0.497 12 R N 0.310 120.564 120.500 -0.410 0.000 2.096 12 R HA -0.071 4.271 4.340 0.003 0.000 0.235 12 R C 0.028 175.919 176.300 -0.682 0.000 1.127 12 R CA 2.280 58.051 56.100 -0.549 0.000 0.968 12 R CB -0.371 29.507 30.300 -0.703 0.000 0.861 12 R HN 0.857 nan 8.270 nan 0.000 0.440 13 Y N -4.690 115.286 120.300 -0.539 0.000 2.644 13 Y HA 0.642 5.194 4.550 0.003 0.000 0.338 13 Y C -2.793 173.016 175.900 -0.153 0.000 1.119 13 Y CA -3.977 53.895 58.100 -0.380 0.000 1.060 13 Y CB 0.242 38.444 38.460 -0.430 0.000 1.294 13 Y HN -0.242 nan 8.280 nan 0.000 0.472 14 P HA 0.200 nan 4.420 nan 0.000 0.258 14 P C 0.733 178.087 177.300 0.090 0.000 1.187 14 P CA 2.257 65.406 63.100 0.081 0.000 0.767 14 P CB 0.393 32.166 31.700 0.122 0.000 0.770 15 G N 2.428 111.202 108.800 -0.043 0.000 2.175 15 G HA2 -0.177 3.785 3.960 0.003 0.000 0.244 15 G HA3 -0.177 3.785 3.960 0.003 0.000 0.244 15 G C 0.442 175.258 174.900 -0.140 0.000 0.982 15 G CA -0.101 44.981 45.100 -0.031 0.000 0.641 15 G HN 0.842 nan 8.290 nan 0.000 0.527 16 A N 0.359 122.886 122.820 -0.487 0.000 2.462 16 A HA 0.777 5.098 4.320 0.003 0.000 0.243 16 A C 1.124 178.539 177.584 -0.282 0.000 1.076 16 A CA 1.162 52.788 52.037 -0.683 0.000 0.773 16 A CB 0.320 18.473 19.000 -1.411 0.000 1.010 16 A HN 2.112 nan 8.150 nan 0.000 0.493 17 A N 1.781 124.527 122.820 -0.123 0.000 2.386 17 A HA 0.564 4.885 4.320 0.003 0.000 0.246 17 A C 0.991 178.526 177.584 -0.081 0.000 1.089 17 A CA 0.128 52.130 52.037 -0.058 0.000 0.790 17 A CB -0.271 18.740 19.000 0.019 0.000 1.042 17 A HN 2.326 nan 8.150 nan 0.000 0.497 18 A N -0.192 122.599 122.820 -0.048 0.000 2.548 18 A HA 0.457 4.778 4.320 0.003 0.000 0.247 18 A C 1.618 179.187 177.584 -0.025 0.000 1.067 18 A CA 0.880 52.899 52.037 -0.031 0.000 0.757 18 A CB -1.136 17.859 19.000 -0.008 0.000 0.996 18 A HN 2.755 nan 8.150 nan 0.000 0.504 19 G N 1.516 110.298 108.800 -0.029 0.000 2.184 19 G HA2 -0.188 3.774 3.960 0.003 0.000 0.264 19 G HA3 -0.188 3.774 3.960 0.003 0.000 0.264 19 G C 0.009 174.875 174.900 -0.057 0.000 0.975 19 G CA 0.483 45.568 45.100 -0.025 0.000 0.642 19 G HN 0.815 nan 8.290 nan 0.000 0.536 20 E N 1.151 121.290 120.200 -0.102 0.000 2.204 20 E HA 0.461 4.813 4.350 0.003 0.000 0.276 20 E C -2.221 174.282 176.600 -0.163 0.000 0.974 20 E CA -1.678 54.628 56.400 -0.155 0.000 0.815 20 E CB 2.324 31.965 29.700 -0.098 0.000 1.119 20 E HN 0.270 nan 8.360 nan 0.000 0.393 21 P HA 0.140 nan 4.420 nan 0.000 0.278 21 P C -0.204 177.093 177.300 -0.005 0.000 1.266 21 P CA -0.324 62.668 63.100 -0.180 0.000 0.807 21 P CB 0.883 32.616 31.700 0.056 0.000 1.094 22 T N -1.973 112.594 114.554 0.021 0.000 2.910 22 T HA 0.225 4.577 4.350 0.003 0.000 0.279 22 T C 1.135 175.982 174.700 0.246 0.000 0.989 22 T CA -0.703 61.458 62.100 0.101 0.000 0.968 22 T CB 0.203 69.109 68.868 0.064 0.000 1.135 22 T HN 0.137 nan 8.240 nan 0.000 0.562 23 L N 0.285 121.649 121.223 0.235 0.000 2.265 23 L HA 0.044 4.386 4.340 0.003 0.000 0.215 23 L C 1.487 178.587 176.870 0.384 0.000 1.117 23 L CA 1.831 56.887 54.840 0.361 0.000 0.782 23 L CB -0.822 41.364 42.059 0.213 0.000 0.914 23 L HN 0.679 nan 8.230 nan 0.000 0.441 24 D N -2.105 118.413 120.400 0.197 0.000 2.360 24 D HA 0.061 4.702 4.640 0.003 0.000 0.210 24 D C 1.742 178.052 176.300 0.017 0.000 1.047 24 D CA 1.003 55.054 54.000 0.085 0.000 0.854 24 D CB 0.480 41.317 40.800 0.062 0.000 0.936 24 D HN 0.522 nan 8.370 nan 0.000 0.514 25 S N -0.374 115.361 115.700 0.059 0.000 2.666 25 S HA -0.006 4.466 4.470 0.003 0.000 0.239 25 S C 1.708 176.369 174.600 0.102 0.000 1.031 25 S CA -0.805 57.419 58.200 0.039 0.000 1.015 25 S CB -0.705 62.499 63.200 0.006 0.000 0.981 25 S HN 0.404 nan 8.310 nan 0.000 0.547 26 W N 1.874 123.242 121.300 0.113 0.000 2.525 26 W HA 0.075 4.736 4.660 0.002 0.000 0.259 26 W C 0.860 177.498 176.519 0.199 0.000 1.253 26 W CA 0.552 58.007 57.345 0.182 0.000 1.262 26 W CB -0.762 28.824 29.460 0.209 0.000 1.122 26 W HN 0.410 nan 8.180 nan 0.000 0.607 27 Q N 0.970 120.550 119.800 -0.367 0.000 2.425 27 Q HA 0.044 4.386 4.340 0.003 0.000 0.204 27 Q C 0.111 176.065 176.000 -0.077 0.000 0.933 27 Q CA 0.560 56.193 55.803 -0.283 0.000 0.939 27 Q CB 0.162 28.555 28.738 -0.575 0.000 1.044 27 Q HN 0.410 nan 8.270 nan 0.000 0.513 28 E N 1.834 122.039 120.200 0.009 0.000 2.248 28 E HA 0.250 4.602 4.350 0.003 0.000 0.272 28 E C -2.437 174.141 176.600 -0.037 0.000 1.008 28 E CA -2.312 54.102 56.400 0.023 0.000 0.856 28 E CB 0.883 30.638 29.700 0.091 0.000 1.120 28 E HN -0.050 nan 8.360 nan 0.000 0.397 29 P HA 0.107 nan 4.420 nan 0.000 0.277 29 P C -2.166 174.936 177.300 -0.329 0.000 1.240 29 P CA -1.457 61.529 63.100 -0.189 0.000 0.798 29 P CB 0.652 32.281 31.700 -0.119 0.000 0.979 30 P HA -0.002 nan 4.420 nan 0.000 0.255 30 P C 1.002 178.089 177.300 -0.355 0.000 1.248 30 P CA 0.757 63.684 63.100 -0.287 0.000 0.807 30 P CB -0.131 31.481 31.700 -0.147 0.000 1.150 31 H N 1.757 120.787 119.070 -0.067 0.000 2.421 31 H HA -0.093 4.465 4.556 0.003 0.000 0.298 31 H C 1.645 176.897 175.328 -0.127 0.000 1.087 31 H CA 1.696 57.696 56.048 -0.080 0.000 1.330 31 H CB -1.029 28.859 29.762 0.211 0.000 1.388 31 H HN 0.349 nan 8.280 nan 0.000 0.526 32 N N 1.909 120.526 118.700 -0.138 0.000 2.309 32 N HA -0.131 4.611 4.740 0.003 0.000 0.182 32 N C 1.725 176.820 175.510 -0.692 0.000 1.018 32 N CA 0.598 53.336 53.050 -0.520 0.000 0.876 32 N CB -0.475 37.498 38.487 -0.856 0.000 0.972 32 N HN 0.250 nan 8.380 nan 0.000 0.434 33 R N -0.608 119.668 120.500 -0.374 0.000 2.083 33 R HA -0.147 4.194 4.340 0.003 0.000 0.237 33 R C 1.879 178.150 176.300 -0.048 0.000 1.137 33 R CA 1.651 57.630 56.100 -0.201 0.000 0.951 33 R CB -0.645 29.579 30.300 -0.128 0.000 0.851 33 R HN 0.443 nan 8.270 nan 0.000 0.434 34 W N 1.318 122.490 121.300 -0.213 0.000 2.407 34 W HA -0.077 4.585 4.660 0.003 0.000 0.305 34 W C 2.271 178.897 176.519 0.177 0.000 1.196 34 W CA 1.555 58.889 57.345 -0.019 0.000 1.311 34 W CB -0.274 29.073 29.460 -0.189 0.000 1.135 34 W HN 0.082 nan 8.180 nan 0.000 0.514 35 A N -0.131 122.775 122.820 0.142 0.000 1.933 35 A HA -0.157 4.165 4.320 0.003 0.000 0.218 35 A C 1.812 179.427 177.584 0.052 0.000 1.175 35 A CA 1.482 53.524 52.037 0.008 0.000 0.628 35 A CB -1.372 17.909 19.000 0.468 0.000 0.814 35 A HN 0.366 nan 8.150 nan 0.000 0.444 36 F N -0.263 119.684 119.950 -0.005 0.000 2.451 36 F HA 0.047 4.576 4.527 0.003 0.000 0.299 36 F C 2.402 178.096 175.800 -0.177 0.000 1.101 36 F CA 0.196 58.177 58.000 -0.032 0.000 1.436 36 F CB -0.854 38.167 39.000 0.035 0.000 1.074 36 F HN 0.300 nan 8.300 nan 0.000 0.553 37 A N -1.797 120.959 122.820 -0.106 0.000 2.348 37 A HA 0.125 4.446 4.320 0.003 0.000 0.224 37 A C 0.120 177.197 177.584 -0.846 0.000 1.227 37 A CA 0.215 52.014 52.037 -0.397 0.000 0.885 37 A CB -0.680 18.089 19.000 -0.384 0.000 0.933 37 A HN 0.430 nan 8.150 nan 0.000 0.506 38 H N -1.952 116.806 119.070 -0.520 0.000 3.064 38 H HA 0.201 4.759 4.556 0.003 0.000 0.232 38 H C 0.726 175.738 175.328 -0.528 0.000 1.308 38 H CA -0.399 55.277 56.048 -0.619 0.000 1.010 38 H CB 0.336 29.407 29.762 -1.152 0.000 2.408 38 H HN 0.213 nan 8.280 nan 0.000 0.599 39 L N 0.475 121.502 121.223 -0.328 0.000 2.201 39 L HA 0.082 4.424 4.340 0.003 0.000 0.212 39 L C 2.249 178.940 176.870 -0.299 0.000 1.105 39 L CA 1.805 56.419 54.840 -0.376 0.000 0.775 39 L CB -0.501 41.335 42.059 -0.371 0.000 0.913 39 L HN 0.515 nan 8.230 nan 0.000 0.440 40 G N -1.345 107.331 108.800 -0.207 0.000 2.498 40 G HA2 -0.214 3.748 3.960 0.003 0.000 0.219 40 G HA3 -0.214 3.748 3.960 0.003 0.000 0.219 40 G C 1.392 176.231 174.900 -0.101 0.000 1.119 40 G CA 0.515 45.528 45.100 -0.145 0.000 0.766 40 G HN 0.521 nan 8.290 nan 0.000 0.552 41 E N -0.587 119.567 120.200 -0.076 0.000 2.427 41 E HA 0.022 4.373 4.350 0.003 0.000 0.196 41 E C 1.933 178.546 176.600 0.022 0.000 1.028 41 E CA 0.377 56.794 56.400 0.028 0.000 0.864 41 E CB 0.046 29.851 29.700 0.175 0.000 0.813 41 E HN 0.365 nan 8.360 nan 0.000 0.514 42 M N -0.430 119.112 119.600 -0.097 0.000 2.740 42 M HA 0.145 4.627 4.480 0.003 0.000 0.253 42 M C 0.448 176.655 176.300 -0.155 0.000 1.341 42 M CA 0.537 55.754 55.300 -0.138 0.000 1.176 42 M CB 0.810 33.187 32.600 -0.372 0.000 1.310 42 M HN -0.261 nan 8.290 nan 0.000 0.531 43 V N 1.514 121.308 119.914 -0.199 0.000 2.638 43 V HA 0.406 4.527 4.120 0.003 0.000 0.306 43 V C -2.406 173.619 176.094 -0.114 0.000 1.052 43 V CA -1.781 60.433 62.300 -0.144 0.000 0.885 43 V CB 1.886 33.603 31.823 -0.176 0.000 0.999 43 V HN 0.074 nan 8.190 nan 0.000 0.424 44 P HA 0.237 nan 4.420 nan 0.000 0.264 44 P C -0.601 176.647 177.300 -0.087 0.000 1.183 44 P CA 0.463 63.513 63.100 -0.084 0.000 0.763 44 P CB 0.415 32.070 31.700 -0.075 0.000 0.807 45 S N 0.854 116.499 115.700 -0.091 0.000 2.541 45 S HA 0.745 5.217 4.470 0.003 0.000 0.271 45 S C -0.938 173.611 174.600 -0.085 0.000 1.133 45 S CA -0.581 57.565 58.200 -0.090 0.000 0.876 45 S CB 2.023 65.161 63.200 -0.104 0.000 1.105 45 S HN 0.511 nan 8.310 nan 0.000 0.470 46 A N 1.391 124.164 122.820 -0.078 0.000 2.337 46 A HA 0.900 5.222 4.320 0.003 0.000 0.331 46 A C -0.003 177.536 177.584 -0.075 0.000 1.137 46 A CA -0.681 51.310 52.037 -0.076 0.000 0.807 46 A CB 0.821 19.781 19.000 -0.067 0.000 1.250 46 A HN 1.125 nan 8.150 nan 0.000 0.468 47 A N 0.781 123.555 122.820 -0.076 0.000 2.401 47 A HA 0.537 4.858 4.320 0.003 0.000 0.259 47 A C -0.277 177.266 177.584 -0.068 0.000 1.103 47 A CA -0.187 51.806 52.037 -0.075 0.000 0.789 47 A CB 0.062 19.014 19.000 -0.080 0.000 1.035 47 A HN 1.114 nan 8.150 nan 0.000 0.491 48 V N 3.155 123.030 119.914 -0.064 0.000 2.311 48 V HA 0.260 4.381 4.120 0.003 0.000 0.275 48 V C 0.759 176.819 176.094 -0.057 0.000 1.022 48 V CA -0.348 61.918 62.300 -0.057 0.000 0.830 48 V CB 0.978 32.769 31.823 -0.053 0.000 1.012 48 V HN 0.951 nan 8.190 nan 0.000 0.452 49 S N 4.566 120.232 115.700 -0.057 0.000 2.533 49 S HA 0.147 4.619 4.470 0.003 0.000 0.282 49 S C 1.452 176.021 174.600 -0.051 0.000 1.304 49 S CA -0.381 57.784 58.200 -0.059 0.000 1.063 49 S CB 0.359 63.522 63.200 -0.062 0.000 0.881 49 S HN 0.851 nan 8.310 nan 0.000 0.493 50 R N 3.873 124.342 120.500 -0.051 0.000 2.307 50 R HA 0.149 4.491 4.340 0.003 0.000 0.199 50 R C 0.116 176.392 176.300 -0.041 0.000 1.000 50 R CA 0.344 56.418 56.100 -0.044 0.000 1.023 50 R CB -0.015 30.260 30.300 -0.043 0.000 0.908 50 R HN 0.436 nan 8.270 nan 0.000 0.473 51 R N 2.040 122.512 120.500 -0.047 0.000 2.346 51 R HA 0.361 4.703 4.340 0.003 0.000 0.311 51 R C -2.136 174.140 176.300 -0.039 0.000 0.983 51 R CA -2.001 54.072 56.100 -0.044 0.000 0.880 51 R CB 0.972 31.240 30.300 -0.054 0.000 1.100 51 R HN 0.085 nan 8.270 nan 0.000 0.453 58 H N -0.266 118.811 119.070 0.011 0.000 2.961 58 H HA 0.791 5.349 4.556 0.003 0.000 0.371 58 H C -0.214 175.119 175.328 0.009 0.000 1.190 58 H CA -0.482 55.575 56.048 0.015 0.000 1.138 58 H CB 1.311 31.082 29.762 0.015 0.000 1.816 58 H HN 0.292 nan 8.280 nan 0.000 0.551 59 A N 2.086 124.918 122.820 0.020 0.000 2.462 59 A HA 0.346 4.667 4.320 0.003 0.000 0.243 59 A C -0.351 177.197 177.584 -0.060 0.000 1.076 59 A CA -0.508 51.476 52.037 -0.088 0.000 0.773 59 A CB 0.027 19.025 19.000 -0.004 0.000 1.010 59 A HN 0.525 nan 8.150 nan 0.000 0.493 60 L N 2.397 123.532 121.223 -0.148 0.000 2.280 60 L HA 0.672 5.013 4.340 0.003 0.000 0.287 60 L C 0.104 176.983 176.870 0.014 0.000 1.023 60 L CA 0.008 54.850 54.840 0.003 0.000 0.819 60 L CB 1.087 43.187 42.059 0.069 0.000 1.212 60 L HN 0.758 nan 8.230 nan 0.000 0.420 61 A N 5.957 128.858 122.820 0.135 0.000 2.310 61 A HA 0.731 5.052 4.320 0.003 0.000 0.304 61 A C -0.207 177.477 177.584 0.167 0.000 1.231 61 A CA -0.626 51.547 52.037 0.225 0.000 0.799 61 A CB 0.396 19.558 19.000 0.269 0.000 1.162 61 A HN 0.747 nan 8.150 nan 0.000 0.486 62 R N 3.469 124.069 120.500 0.167 0.000 2.748 62 R HA 0.267 4.608 4.340 0.003 0.000 0.283 62 R C -0.212 176.168 176.300 0.132 0.000 1.507 62 R CA -0.221 55.959 56.100 0.133 0.000 1.666 62 R CB 0.449 30.826 30.300 0.129 0.000 1.237 62 R HN 0.730 nan 8.270 nan 0.000 0.633 63 L N 0.403 121.701 121.223 0.125 0.000 2.599 63 L HA 0.093 4.434 4.340 0.003 0.000 0.230 63 L C 1.459 178.386 176.870 0.095 0.000 1.141 63 L CA 0.609 55.523 54.840 0.124 0.000 0.877 63 L CB -0.488 41.620 42.059 0.083 0.000 1.009 63 L HN 0.768 nan 8.230 nan 0.000 0.447 64 G N 0.819 109.666 108.800 0.079 0.000 2.611 64 G HA2 -0.455 3.507 3.960 0.003 0.000 0.301 64 G HA3 -0.455 3.507 3.960 0.003 0.000 0.301 64 G C 0.973 175.904 174.900 0.052 0.000 1.233 64 G CA 0.602 45.740 45.100 0.063 0.000 0.993 64 G HN 0.330 nan 8.290 nan 0.000 0.553 65 A N -0.149 122.700 122.820 0.048 0.000 1.897 65 A HA 0.229 4.551 4.320 0.003 0.000 0.215 65 A C 2.621 180.228 177.584 0.039 0.000 1.181 65 A CA 2.823 54.883 52.037 0.040 0.000 0.620 65 A CB -0.602 18.420 19.000 0.037 0.000 0.821 65 A HN 1.643 nan 8.150 nan 0.000 0.443 66 I N -2.627 117.973 120.570 0.049 0.000 2.850 66 I HA -0.068 4.104 4.170 0.003 0.000 0.266 66 I C 2.132 178.268 176.117 0.032 0.000 1.257 66 I CA 1.131 62.459 61.300 0.047 0.000 1.465 66 I CB -0.458 37.584 38.000 0.071 0.000 1.091 66 I HN 0.174 nan 8.210 nan 0.000 0.467 67 A N 1.626 124.465 122.820 0.032 0.000 1.972 67 A HA 0.044 4.366 4.320 0.003 0.000 0.219 67 A C 2.561 180.150 177.584 0.008 0.000 1.169 67 A CA 1.659 53.706 52.037 0.016 0.000 0.635 67 A CB -0.718 18.297 19.000 0.025 0.000 0.810 67 A HN 0.605 nan 8.150 nan 0.000 0.446 68 A N -0.866 121.963 122.820 0.014 0.000 1.968 68 A HA -0.096 4.226 4.320 0.003 0.000 0.217 68 A C 2.048 179.635 177.584 0.006 0.000 1.169 68 A CA 1.412 53.455 52.037 0.010 0.000 0.638 68 A CB -0.330 18.678 19.000 0.014 0.000 0.812 68 A HN 0.635 nan 8.150 nan 0.000 0.446 69 Q N -0.978 118.827 119.800 0.008 0.000 2.302 69 Q HA 0.250 4.591 4.340 0.003 0.000 0.202 69 Q C -0.300 175.697 176.000 -0.004 0.000 0.936 69 Q CA 0.443 56.249 55.803 0.005 0.000 0.886 69 Q CB 0.180 28.926 28.738 0.013 0.000 0.986 69 Q HN 0.549 nan 8.270 nan 0.000 0.487 70 L N 1.896 123.113 121.223 -0.010 0.000 2.495 70 L HA 0.274 4.615 4.340 0.003 0.000 0.248 70 L C -1.902 174.946 176.870 -0.037 0.000 1.229 70 L CA -1.370 53.453 54.840 -0.029 0.000 0.942 70 L CB 1.042 43.077 42.059 -0.040 0.000 1.242 70 L HN -0.071 nan 8.230 nan 0.000 0.484 71 P HA -0.153 nan 4.420 nan 0.000 0.218 71 P C 0.348 177.621 177.300 -0.045 0.000 1.148 71 P CA 1.219 64.302 63.100 -0.029 0.000 0.822 71 P CB 0.410 32.097 31.700 -0.021 0.000 0.784 72 D N -0.904 119.461 120.400 -0.059 0.000 2.358 72 D HA 0.048 4.689 4.640 0.003 0.000 0.224 72 D C 1.652 177.882 176.300 -0.117 0.000 1.123 72 D CA -0.227 53.728 54.000 -0.076 0.000 0.833 72 D CB -0.158 40.602 40.800 -0.067 0.000 0.946 72 D HN 0.035 nan 8.370 nan 0.000 0.505 73 L N 1.302 122.445 121.223 -0.134 0.000 2.042 73 L HA -0.154 4.188 4.340 0.003 0.000 0.210 73 L C 2.092 178.779 176.870 -0.305 0.000 1.076 73 L CA 1.892 56.605 54.840 -0.212 0.000 0.749 73 L CB -0.349 41.590 42.059 -0.201 0.000 0.893 73 L HN -0.019 nan 8.230 nan 0.000 0.432 74 E N -1.086 118.956 120.200 -0.264 0.000 2.085 74 E HA -0.322 4.030 4.350 0.003 0.000 0.194 74 E C 2.222 178.632 176.600 -0.316 0.000 0.994 74 E CA 1.507 57.695 56.400 -0.353 0.000 0.801 74 E CB -0.229 29.371 29.700 -0.168 0.000 0.743 74 E HN 0.705 nan 8.360 nan 0.000 0.453 75 Q N 0.204 119.888 119.800 -0.193 0.000 2.124 75 Q HA -0.196 4.145 4.340 0.003 0.000 0.202 75 Q C 2.169 178.067 176.000 -0.170 0.000 0.977 75 Q CA 1.464 57.178 55.803 -0.148 0.000 0.850 75 Q CB 0.058 28.738 28.738 -0.097 0.000 0.901 75 Q HN 0.213 nan 8.270 nan 0.000 0.429 76 R N -0.173 120.211 120.500 -0.194 0.000 2.092 76 R HA -0.068 4.273 4.340 0.003 0.000 0.231 76 R C 2.383 178.548 176.300 -0.225 0.000 1.119 76 R CA 1.118 57.109 56.100 -0.181 0.000 0.970 76 R CB -0.184 30.006 30.300 -0.183 0.000 0.864 76 R HN 0.310 nan 8.270 nan 0.000 0.440 77 L N 0.598 121.602 121.223 -0.365 0.000 2.056 77 L HA -0.156 4.186 4.340 0.003 0.000 0.207 77 L C 2.165 178.859 176.870 -0.292 0.000 1.078 77 L CA 1.413 55.992 54.840 -0.435 0.000 0.749 77 L CB -0.416 41.147 42.059 -0.827 0.000 0.901 77 L HN 0.224 nan 8.230 nan 0.000 0.433 78 E N -0.006 120.025 120.200 -0.282 0.000 2.077 78 E HA -0.271 4.081 4.350 0.003 0.000 0.193 78 E C 2.205 178.690 176.600 -0.192 0.000 0.989 78 E CA 1.189 57.475 56.400 -0.190 0.000 0.800 78 E CB -0.113 29.500 29.700 -0.144 0.000 0.746 78 E HN 0.551 nan 8.360 nan 0.000 0.452 79 Q N -0.155 119.575 119.800 -0.118 0.000 2.226 79 Q HA -0.090 4.251 4.340 0.003 0.000 0.204 79 Q C 1.503 177.586 176.000 0.138 0.000 0.975 79 Q CA 1.550 57.346 55.803 -0.010 0.000 0.866 79 Q CB 0.061 28.808 28.738 0.015 0.000 0.915 79 Q HN 0.285 nan 8.270 nan 0.000 0.440 80 T N -4.193 110.411 114.554 0.082 0.000 3.243 80 T HA 0.141 4.493 4.350 0.003 0.000 0.264 80 T C -0.384 174.487 174.700 0.286 0.000 1.000 80 T CA -0.573 61.638 62.100 0.185 0.000 0.901 80 T CB -0.328 68.638 68.868 0.163 0.000 1.083 80 T HN 0.250 nan 8.240 nan 0.000 0.559 81 Y N 0.687 120.979 120.300 -0.012 0.000 3.168 81 Y HA -0.237 4.315 4.550 0.003 0.000 0.207 81 Y C 0.537 176.441 175.900 0.008 0.000 1.280 81 Y CA 0.305 58.404 58.100 -0.002 0.000 1.235 81 Y CB -2.662 35.776 38.460 -0.037 0.000 1.370 81 Y HN 0.325 nan 8.280 nan 0.000 0.537 82 T N 0.586 115.186 114.554 0.077 0.000 2.870 82 T HA 0.055 4.406 4.350 0.003 0.000 0.300 82 T C 0.937 175.687 174.700 0.083 0.000 0.989 82 T CA -0.120 62.011 62.100 0.051 0.000 1.139 82 T CB 0.877 69.732 68.868 -0.021 0.000 0.920 82 T HN 0.274 nan 8.240 nan 0.000 0.537 83 D N 1.428 121.789 120.400 -0.066 0.000 2.431 83 D HA 0.288 4.929 4.640 0.003 0.000 0.235 83 D C 0.646 176.722 176.300 -0.373 0.000 0.980 83 D CA 0.343 54.199 54.000 -0.240 0.000 0.912 83 D CB 0.420 41.007 40.800 -0.356 0.000 1.056 83 D HN 0.616 nan 8.370 nan 0.000 0.494 84 A N 0.121 122.743 122.820 -0.329 0.000 2.486 84 A HA 0.590 4.912 4.320 0.003 0.000 0.300 84 A C -1.856 175.704 177.584 -0.040 0.000 1.048 84 A CA -0.561 51.368 52.037 -0.180 0.000 0.696 84 A CB 1.626 20.584 19.000 -0.071 0.000 1.278 84 A HN 0.047 nan 8.150 nan 0.000 0.405 85 F N 1.964 121.751 119.950 -0.272 0.000 2.574 85 F HA 0.751 5.280 4.527 0.003 0.000 0.313 85 F C -1.640 174.052 175.800 -0.180 0.000 1.130 85 F CA -0.761 57.145 58.000 -0.158 0.000 0.936 85 F CB 1.620 40.571 39.000 -0.082 0.000 1.219 85 F HN 0.678 nan 8.300 nan 0.000 0.445 86 L N 6.813 127.616 121.223 -0.700 0.000 2.493 86 L HA 0.777 5.118 4.340 0.003 0.000 0.265 86 L C -1.879 174.660 176.870 -0.551 0.000 0.954 86 L CA -0.663 53.889 54.840 -0.480 0.000 0.844 86 L CB 2.141 44.113 42.059 -0.144 0.000 1.302 86 L HN 0.468 nan 8.230 nan 0.000 0.405 87 V N 5.210 124.892 119.914 -0.386 0.000 2.409 87 V HA 0.437 4.559 4.120 0.003 0.000 0.291 87 V C -0.535 175.510 176.094 -0.083 0.000 1.020 87 V CA -0.480 61.682 62.300 -0.229 0.000 0.848 87 V CB 1.618 33.345 31.823 -0.161 0.000 0.990 87 V HN 0.557 nan 8.190 nan 0.000 0.430 88 L N 6.082 127.281 121.223 -0.040 0.000 2.276 88 L HA 0.561 4.902 4.340 0.003 0.000 0.286 88 L C 0.045 176.922 176.870 0.013 0.000 1.024 88 L CA -0.046 54.791 54.840 -0.004 0.000 0.826 88 L CB 0.924 42.987 42.059 0.007 0.000 1.211 88 L HN 0.632 nan 8.230 nan 0.000 0.422 89 R N 4.585 125.095 120.500 0.016 0.000 2.229 89 R HA 0.562 4.903 4.340 0.003 0.000 0.332 89 R C 0.669 176.980 176.300 0.019 0.000 0.989 89 R CA 0.595 56.709 56.100 0.023 0.000 0.842 89 R CB 0.648 30.964 30.300 0.027 0.000 1.119 89 R HN 0.944 nan 8.270 nan 0.000 0.456 90 G N 2.758 111.569 108.800 0.018 0.000 2.596 90 G HA2 -0.456 3.506 3.960 0.003 0.000 0.304 90 G HA3 -0.456 3.506 3.960 0.003 0.000 0.304 90 G C 0.599 175.505 174.900 0.011 0.000 1.189 90 G CA 0.826 45.933 45.100 0.012 0.000 0.986 90 G HN 0.675 nan 8.290 nan 0.000 0.548 91 T N -1.081 113.478 114.554 0.009 0.000 3.069 91 T HA 0.476 4.828 4.350 0.003 0.000 0.252 91 T C 0.603 175.309 174.700 0.010 0.000 1.053 91 T CA 1.252 63.356 62.100 0.007 0.000 0.964 91 T CB 0.566 69.436 68.868 0.003 0.000 1.005 91 T HN 0.751 nan 8.240 nan 0.000 0.532 92 E N 1.430 121.638 120.200 0.013 0.000 2.175 92 E HA 0.441 4.793 4.350 0.003 0.000 0.278 92 E C -1.024 175.587 176.600 0.018 0.000 0.969 92 E CA -0.783 55.627 56.400 0.017 0.000 0.796 92 E CB 1.710 31.421 29.700 0.018 0.000 1.104 92 E HN 0.053 nan 8.360 nan 0.000 0.395 93 V N 6.045 125.972 119.914 0.023 0.000 2.415 93 V HA 0.002 4.124 4.120 0.003 0.000 0.267 93 V C 1.108 177.220 176.094 0.030 0.000 1.042 93 V CA 0.076 62.391 62.300 0.025 0.000 1.000 93 V CB 0.645 32.492 31.823 0.041 0.000 1.015 93 V HN 0.692 nan 8.190 nan 0.000 0.478 94 V N 1.965 121.893 119.914 0.023 0.000 3.643 94 V HA 0.768 4.890 4.120 0.003 0.000 0.280 94 V C 0.591 176.714 176.094 0.049 0.000 1.351 94 V CA 0.588 62.909 62.300 0.035 0.000 1.073 94 V CB 0.132 31.974 31.823 0.032 0.000 0.863 94 V HN 0.865 nan 8.190 nan 0.000 0.436 95 A N -0.174 122.670 122.820 0.041 0.000 2.566 95 A HA 0.807 5.128 4.320 0.003 0.000 0.297 95 A C -0.987 176.630 177.584 0.055 0.000 1.059 95 A CA -0.491 51.596 52.037 0.082 0.000 0.691 95 A CB 1.596 20.679 19.000 0.140 0.000 1.282 95 A HN 0.381 nan 8.150 nan 0.000 0.401 96 E N -0.045 120.226 120.200 0.118 0.000 2.356 96 E HA 0.547 4.898 4.350 0.003 0.000 0.275 96 E C -2.108 174.556 176.600 0.106 0.000 0.904 96 E CA -0.550 55.881 56.400 0.051 0.000 0.757 96 E CB 2.779 32.551 29.700 0.119 0.000 1.232 96 E HN 0.671 nan 8.360 nan 0.000 0.442 97 Y N 1.726 121.859 120.300 -0.278 0.000 2.479 97 Y HA 0.463 5.015 4.550 0.003 0.000 0.338 97 Y C -2.187 173.338 175.900 -0.625 0.000 1.055 97 Y CA -0.600 57.351 58.100 -0.249 0.000 1.023 97 Y CB 1.291 39.708 38.460 -0.072 0.000 1.287 97 Y HN 0.510 nan 8.280 nan 0.000 0.447 98 Y N 4.576 124.467 120.300 -0.681 0.000 2.421 98 Y HA 0.500 5.051 4.550 0.003 0.000 0.339 98 Y C -0.300 175.168 175.900 -0.721 0.000 0.996 98 Y CA -1.327 56.498 58.100 -0.458 0.000 1.046 98 Y CB 1.583 40.011 38.460 -0.053 0.000 1.226 98 Y HN 0.695 nan 8.280 nan 0.000 0.445 99 R N 1.496 121.828 120.500 -0.279 0.000 2.774 99 R HA 0.670 5.011 4.340 0.003 0.000 0.269 99 R C -0.066 176.216 176.300 -0.030 0.000 1.068 99 R CA -0.395 55.629 56.100 -0.126 0.000 1.180 99 R CB 0.396 30.734 30.300 0.063 0.000 1.077 99 R HN 0.717 nan 8.270 nan 0.000 0.513 100 A N 0.863 123.678 122.820 -0.009 0.000 2.546 100 A HA 0.367 4.688 4.320 0.003 0.000 0.243 100 A C 1.418 179.026 177.584 0.040 0.000 1.063 100 A CA 0.556 52.592 52.037 -0.001 0.000 0.757 100 A CB -0.784 18.237 19.000 0.035 0.000 0.991 100 A HN 1.280 nan 8.150 nan 0.000 0.503 101 G N 0.816 109.626 108.800 0.017 0.000 2.194 101 G HA2 -0.218 3.744 3.960 0.003 0.000 0.236 101 G HA3 -0.218 3.744 3.960 0.003 0.000 0.236 101 G C 0.002 174.949 174.900 0.078 0.000 0.987 101 G CA 0.387 45.509 45.100 0.037 0.000 0.635 101 G HN 1.427 nan 8.290 nan 0.000 0.520 102 F N 2.261 122.185 119.950 -0.043 0.000 2.427 102 F HA 0.741 5.270 4.527 0.002 0.000 0.348 102 F C 0.367 176.117 175.800 -0.084 0.000 1.125 102 F CA -0.267 57.721 58.000 -0.021 0.000 0.989 102 F CB 1.264 40.300 39.000 0.060 0.000 1.165 102 F HN 0.401 nan 8.300 nan 0.000 0.442 103 A N 7.198 129.750 122.820 -0.446 0.000 2.322 103 A HA 0.480 4.802 4.320 0.003 0.000 0.269 103 A C -1.935 175.319 177.584 -0.550 0.000 1.094 103 A CA -1.435 50.361 52.037 -0.401 0.000 0.807 103 A CB 0.277 19.066 19.000 -0.351 0.000 1.047 103 A HN 0.653 nan 8.150 nan 0.000 0.487 104 P HA -0.163 nan 4.420 nan 0.000 0.217 104 P C 0.431 177.472 177.300 -0.433 0.000 1.148 104 P CA 1.779 64.251 63.100 -1.047 0.000 0.828 104 P CB 0.089 31.340 31.700 -0.749 0.000 0.783 105 D N -2.650 117.564 120.400 -0.310 0.000 2.368 105 D HA 0.023 4.665 4.640 0.003 0.000 0.218 105 D C -0.108 176.074 176.300 -0.197 0.000 1.112 105 D CA -0.076 53.822 54.000 -0.171 0.000 0.834 105 D CB -0.639 40.084 40.800 -0.127 0.000 0.953 105 D HN 0.028 nan 8.370 nan 0.000 0.505 106 D N 1.165 121.330 120.400 -0.392 0.000 2.362 106 D HA 0.203 4.845 4.640 0.003 0.000 0.242 106 D C 0.551 176.742 176.300 -0.181 0.000 1.132 106 D CA -0.004 53.692 54.000 -0.506 0.000 0.907 106 D CB 1.169 41.240 40.800 -1.214 0.000 1.195 106 D HN 0.045 nan 8.370 nan 0.000 0.429 107 R N 0.853 121.323 120.500 -0.049 0.000 2.500 107 R HA 0.397 4.738 4.340 0.003 0.000 0.277 107 R C 0.027 176.517 176.300 0.317 0.000 1.026 107 R CA -0.629 55.559 56.100 0.147 0.000 1.058 107 R CB 1.367 31.698 30.300 0.052 0.000 1.078 107 R HN 0.480 nan 8.270 nan 0.000 0.509 108 H N 1.754 120.963 119.070 0.232 0.000 2.771 108 H HA 0.180 4.738 4.556 0.003 0.000 0.361 108 H C -1.145 174.229 175.328 0.077 0.000 1.108 108 H CA -0.939 55.226 56.048 0.195 0.000 1.201 108 H CB 1.652 31.517 29.762 0.172 0.000 1.681 108 H HN 0.304 nan 8.280 nan 0.000 0.534 109 L N 4.720 125.939 121.223 -0.006 0.000 2.525 109 L HA -0.022 4.319 4.340 0.003 0.000 0.278 109 L C 0.347 177.356 176.870 0.231 0.000 1.218 109 L CA 0.574 55.450 54.840 0.060 0.000 0.878 109 L CB 0.125 42.129 42.059 -0.092 0.000 1.127 109 L HN 0.714 nan 8.230 nan 0.000 0.492 110 L N 4.817 126.141 121.223 0.168 0.000 2.554 110 L HA 0.049 4.390 4.340 0.003 0.000 0.225 110 L C 1.237 178.183 176.870 0.125 0.000 1.104 110 L CA -0.295 54.630 54.840 0.141 0.000 0.866 110 L CB -0.151 41.973 42.059 0.108 0.000 1.047 110 L HN 0.742 nan 8.230 nan 0.000 0.468 111 M N -0.012 119.691 119.600 0.172 0.000 7.319 111 M HA -0.369 4.113 4.480 0.003 0.000 0.191 111 M C 1.514 177.897 176.300 0.137 0.000 0.480 111 M CA 2.025 57.441 55.300 0.193 0.000 1.311 111 M CB -1.605 31.071 32.600 0.126 0.000 0.421 111 M HN 0.219 nan 8.290 nan 0.000 0.563 112 A N 0.059 122.958 122.820 0.132 0.000 2.239 112 A HA 0.252 4.573 4.320 0.003 0.000 0.209 112 A C 1.879 179.539 177.584 0.128 0.000 1.171 112 A CA 1.209 53.343 52.037 0.161 0.000 0.768 112 A CB -0.534 18.662 19.000 0.327 0.000 0.790 112 A HN 0.508 nan 8.150 nan 0.000 0.478 113 V N 0.010 119.975 119.914 0.084 0.000 2.568 113 V HA -0.243 3.879 4.120 0.003 0.000 0.253 113 V C 2.615 178.704 176.094 -0.007 0.000 1.072 113 V CA 2.179 64.491 62.300 0.021 0.000 1.084 113 V CB -0.763 31.081 31.823 0.035 0.000 0.676 113 V HN 0.615 nan 8.190 nan 0.000 0.469 114 S N -0.294 115.427 115.700 0.035 0.000 2.387 114 S HA -0.267 4.205 4.470 0.003 0.000 0.230 114 S C 1.953 176.553 174.600 -0.000 0.000 1.035 114 S CA 1.574 59.792 58.200 0.030 0.000 1.014 114 S CB -0.287 62.936 63.200 0.038 0.000 0.836 114 S HN 0.651 nan 8.310 nan 0.000 0.466 115 K N 1.101 121.491 120.400 -0.017 0.000 2.097 115 K HA -0.006 4.316 4.320 0.003 0.000 0.206 115 K C 2.357 178.902 176.600 -0.091 0.000 1.049 115 K CA 1.426 57.692 56.287 -0.036 0.000 0.933 115 K CB -0.263 32.249 32.500 0.021 0.000 0.717 115 K HN 0.209 nan 8.250 nan 0.000 0.442 116 S N 1.482 117.040 115.700 -0.238 0.000 2.402 116 S HA -0.033 4.438 4.470 0.003 0.000 0.229 116 S C 1.910 176.415 174.600 -0.159 0.000 1.021 116 S CA 0.847 58.730 58.200 -0.530 0.000 0.974 116 S CB -0.165 62.296 63.200 -1.232 0.000 0.800 116 S HN 0.201 nan 8.310 nan 0.000 0.484 117 L N 0.394 121.598 121.223 -0.031 0.000 2.056 117 L HA -0.116 4.226 4.340 0.003 0.000 0.207 117 L C 2.748 179.710 176.870 0.154 0.000 1.078 117 L CA 0.854 55.762 54.840 0.114 0.000 0.749 117 L CB -0.821 41.322 42.059 0.139 0.000 0.901 117 L HN 0.454 nan 8.230 nan 0.000 0.433 118 C N 0.786 120.171 119.300 0.142 0.000 2.432 118 C HA -0.090 4.372 4.460 0.003 0.000 0.277 118 C C 2.926 178.000 174.990 0.139 0.000 1.249 118 C CA 1.014 60.142 59.018 0.184 0.000 1.725 118 C CB -1.226 26.548 27.740 0.055 0.000 2.028 118 C HN 0.648 nan 8.230 nan 0.000 0.477 119 G N -0.485 108.396 108.800 0.136 0.000 2.450 119 G HA2 -0.174 3.788 3.960 0.003 0.000 0.220 119 G HA3 -0.174 3.788 3.960 0.003 0.000 0.220 119 G C 1.743 176.805 174.900 0.269 0.000 1.130 119 G CA 1.626 46.873 45.100 0.245 0.000 0.760 119 G HN 0.567 nan 8.290 nan 0.000 0.557 120 T N 0.790 115.488 114.554 0.239 0.000 2.777 120 T HA -0.101 4.251 4.350 0.003 0.000 0.266 120 T C 2.566 177.237 174.700 -0.049 0.000 1.040 120 T CA 1.188 63.375 62.100 0.145 0.000 1.141 120 T CB -0.234 68.769 68.868 0.225 0.000 0.868 120 T HN 0.081 nan 8.240 nan 0.000 0.444 121 V N 1.347 121.275 119.914 0.022 0.000 2.343 121 V HA -0.153 3.969 4.120 0.003 0.000 0.247 121 V C 2.677 178.648 176.094 -0.205 0.000 1.051 121 V CA 1.295 63.570 62.300 -0.042 0.000 1.036 121 V CB -0.771 31.096 31.823 0.074 0.000 0.654 121 V HN 0.312 nan 8.190 nan 0.000 0.451 122 V N 1.042 120.864 119.914 -0.153 0.000 2.287 122 V HA -0.217 3.904 4.120 0.003 0.000 0.248 122 V C 2.668 178.458 176.094 -0.508 0.000 1.053 122 V CA 2.268 64.430 62.300 -0.230 0.000 1.027 122 V CB -1.492 30.296 31.823 -0.057 0.000 0.646 122 V HN 0.617 nan 8.190 nan 0.000 0.447 123 G N -0.478 107.778 108.800 -0.907 0.000 2.442 123 G HA2 -0.223 3.738 3.960 0.003 0.000 0.219 123 G HA3 -0.223 3.738 3.960 0.003 0.000 0.219 123 G C 1.756 176.116 174.900 -0.900 0.000 1.141 123 G CA 1.080 45.060 45.100 -1.867 0.000 0.763 123 G HN 0.624 nan 8.290 nan 0.000 0.554 124 A N 0.500 122.999 122.820 -0.535 0.000 1.902 124 A HA 0.105 4.426 4.320 0.003 0.000 0.217 124 A C 2.400 179.829 177.584 -0.258 0.000 1.181 124 A CA 1.250 53.123 52.037 -0.273 0.000 0.623 124 A CB -0.347 18.603 19.000 -0.084 0.000 0.818 124 A HN 0.365 nan 8.150 nan 0.000 0.443 125 L N -0.668 120.333 121.223 -0.370 0.000 2.217 125 L HA -0.086 4.255 4.340 0.003 0.000 0.211 125 L C 2.381 179.127 176.870 -0.207 0.000 1.107 125 L CA 0.442 55.097 54.840 -0.309 0.000 0.783 125 L CB -0.329 41.503 42.059 -0.378 0.000 0.919 125 L HN 0.223 nan 8.230 nan 0.000 0.442 126 V N -0.196 119.573 119.914 -0.243 0.000 2.358 126 V HA -0.290 3.831 4.120 0.003 0.000 0.246 126 V C 2.176 178.228 176.094 -0.070 0.000 1.047 126 V CA 2.025 64.249 62.300 -0.127 0.000 1.035 126 V CB -0.403 31.363 31.823 -0.095 0.000 0.658 126 V HN 0.438 nan 8.190 nan 0.000 0.452 127 D N 0.198 120.533 120.400 -0.109 0.000 2.178 127 D HA -0.166 4.475 4.640 0.003 0.000 0.201 127 D C 2.122 178.412 176.300 -0.017 0.000 0.980 127 D CA 1.143 55.118 54.000 -0.042 0.000 0.842 127 D CB -0.053 40.714 40.800 -0.055 0.000 0.948 127 D HN 0.535 nan 8.370 nan 0.000 0.472 128 E N -1.021 119.163 120.200 -0.028 0.000 2.482 128 E HA 0.124 4.476 4.350 0.003 0.000 0.196 128 E C 1.233 177.836 176.600 0.005 0.000 1.047 128 E CA 0.476 56.878 56.400 0.003 0.000 0.869 128 E CB 0.136 29.849 29.700 0.022 0.000 0.836 128 E HN 0.377 nan 8.360 nan 0.000 0.520 129 G N 1.856 110.654 108.800 -0.004 0.000 2.136 129 G HA2 -0.338 3.624 3.960 0.003 0.000 0.242 129 G HA3 -0.338 3.624 3.960 0.003 0.000 0.242 129 G C 0.827 175.738 174.900 0.018 0.000 0.989 129 G CA 0.445 45.553 45.100 0.014 0.000 0.682 129 G HN 0.256 nan 8.290 nan 0.000 0.522 130 R N -0.830 119.663 120.500 -0.012 0.000 2.254 130 R HA 0.405 4.746 4.340 0.003 0.000 0.195 130 R C 0.857 177.133 176.300 -0.041 0.000 0.957 130 R CA 0.557 56.652 56.100 -0.009 0.000 1.024 130 R CB 0.564 30.841 30.300 -0.039 0.000 0.952 130 R HN 0.480 nan 8.270 nan 0.000 0.484 131 I N 0.923 121.438 120.570 -0.091 0.000 2.498 131 I HA 0.147 4.318 4.170 0.003 0.000 0.290 131 I C -1.143 174.982 176.117 0.015 0.000 1.032 131 I CA -0.990 60.214 61.300 -0.160 0.000 1.073 131 I CB 2.344 40.153 38.000 -0.318 0.000 1.251 131 I HN -0.180 nan 8.210 nan 0.000 0.426 132 D N 8.329 128.823 120.400 0.157 0.000 2.427 132 D HA 0.330 4.972 4.640 0.003 0.000 0.226 132 D C -1.914 174.483 176.300 0.162 0.000 1.076 132 D CA -2.309 51.782 54.000 0.152 0.000 0.849 132 D CB 2.062 42.956 40.800 0.156 0.000 1.052 132 D HN 0.117 nan 8.370 nan 0.000 0.515 133 P HA -0.087 nan 4.420 nan 0.000 0.220 133 P C 0.807 178.172 177.300 0.108 0.000 1.144 133 P CA 0.899 64.076 63.100 0.128 0.000 0.800 133 P CB 0.294 32.082 31.700 0.146 0.000 0.772 134 A N -1.692 121.185 122.820 0.095 0.000 2.119 134 A HA -0.055 4.267 4.320 0.003 0.000 0.216 134 A C 1.329 178.951 177.584 0.062 0.000 1.152 134 A CA 0.661 52.738 52.037 0.066 0.000 0.708 134 A CB -0.556 18.473 19.000 0.049 0.000 0.805 134 A HN 0.111 nan 8.150 nan 0.000 0.460 135 Q N 0.579 120.435 119.800 0.094 0.000 2.394 135 Q HA 0.251 4.593 4.340 0.003 0.000 0.248 135 Q C -2.441 173.596 176.000 0.061 0.000 0.992 135 Q CA -2.050 53.787 55.803 0.057 0.000 0.888 135 Q CB 0.349 29.119 28.738 0.053 0.000 1.257 135 Q HN 0.271 nan 8.270 nan 0.000 0.462 136 P HA 0.011 nan 4.420 nan 0.000 0.272 136 P C 0.771 178.080 177.300 0.016 0.000 1.223 136 P CA -0.078 63.020 63.100 -0.004 0.000 0.784 136 P CB 0.746 32.420 31.700 -0.044 0.000 0.923 137 V N 2.113 122.052 119.914 0.043 0.000 2.370 137 V HA -0.269 3.853 4.120 0.003 0.000 0.252 137 V C 2.532 178.603 176.094 -0.038 0.000 1.068 137 V CA 3.036 65.362 62.300 0.044 0.000 1.061 137 V CB -2.031 29.797 31.823 0.009 0.000 0.656 137 V HN 0.736 nan 8.190 nan 0.000 0.455 138 T N -1.734 112.767 114.554 -0.088 0.000 3.051 138 T HA -0.166 4.186 4.350 0.003 0.000 0.269 138 T C 1.604 176.186 174.700 -0.196 0.000 1.127 138 T CA 1.274 63.290 62.100 -0.141 0.000 1.107 138 T CB -0.256 68.546 68.868 -0.111 0.000 0.898 138 T HN 0.515 nan 8.240 nan 0.000 0.517 139 E N 0.778 120.812 120.200 -0.276 0.000 2.204 139 E HA -0.119 4.233 4.350 0.003 0.000 0.195 139 E C 1.061 177.308 176.600 -0.588 0.000 0.990 139 E CA 1.308 57.418 56.400 -0.483 0.000 0.821 139 E CB -0.381 28.895 29.700 -0.708 0.000 0.750 139 E HN 0.784 nan 8.360 nan 0.000 0.477 140 Y N -1.581 118.643 120.300 -0.127 0.000 2.558 140 Y HA 0.320 4.871 4.550 0.003 0.000 0.273 140 Y C 0.389 176.154 175.900 -0.226 0.000 1.100 140 Y CA -0.050 57.965 58.100 -0.142 0.000 1.276 140 Y CB 1.044 39.429 38.460 -0.124 0.000 1.196 140 Y HN -0.188 nan 8.280 nan 0.000 0.527 141 V N 2.417 122.218 119.914 -0.189 0.000 2.315 141 V HA 0.225 4.347 4.120 0.003 0.000 0.265 141 V C -2.087 173.803 176.094 -0.340 0.000 1.019 141 V CA -1.374 60.668 62.300 -0.430 0.000 0.824 141 V CB 1.156 32.440 31.823 -0.899 0.000 1.072 141 V HN -0.009 nan 8.190 nan 0.000 0.448 142 P HA -0.120 nan 4.420 nan 0.000 0.219 142 P C 1.215 178.423 177.300 -0.154 0.000 1.146 142 P CA 1.027 64.027 63.100 -0.167 0.000 0.808 142 P CB 0.428 32.051 31.700 -0.128 0.000 0.779 143 E N -1.061 119.031 120.200 -0.180 0.000 2.472 143 E HA -0.030 4.322 4.350 0.003 0.000 0.200 143 E C 1.432 177.970 176.600 -0.102 0.000 1.046 143 E CA 0.453 56.793 56.400 -0.099 0.000 0.871 143 E CB -0.802 28.896 29.700 -0.004 0.000 0.806 143 E HN 0.277 nan 8.360 nan 0.000 0.533 144 L N 0.201 121.299 121.223 -0.208 0.000 2.591 144 L HA 0.216 4.557 4.340 0.003 0.000 0.228 144 L C 0.686 177.523 176.870 -0.055 0.000 1.133 144 L CA -0.570 54.192 54.840 -0.129 0.000 0.880 144 L CB -0.166 41.767 42.059 -0.210 0.000 1.033 144 L HN 0.028 nan 8.230 nan 0.000 0.450 145 A N -0.158 122.621 122.820 -0.067 0.000 2.531 145 A HA 0.357 4.678 4.320 0.003 0.000 0.236 145 A C 1.484 179.050 177.584 -0.029 0.000 1.062 145 A CA 0.758 52.766 52.037 -0.048 0.000 0.760 145 A CB -0.142 18.826 19.000 -0.053 0.000 0.995 145 A HN 0.575 nan 8.150 nan 0.000 0.501 146 G N 0.693 109.475 108.800 -0.029 0.000 2.205 146 G HA2 -0.178 3.784 3.960 0.003 0.000 0.261 146 G HA3 -0.178 3.784 3.960 0.003 0.000 0.261 146 G C 0.623 175.506 174.900 -0.027 0.000 0.980 146 G CA 1.187 46.272 45.100 -0.026 0.000 0.632 146 G HN 2.230 nan 8.290 nan 0.000 0.533 147 S N -1.541 114.146 115.700 -0.021 0.000 2.767 147 S HA 0.678 5.150 4.470 0.003 0.000 0.300 147 S C 1.264 175.816 174.600 -0.080 0.000 1.123 147 S CA 0.328 58.512 58.200 -0.027 0.000 0.992 147 S CB 1.887 65.112 63.200 0.042 0.000 1.138 147 S HN 1.206 nan 8.310 nan 0.000 0.550 148 V N 0.533 120.341 119.914 -0.176 0.000 2.867 148 V HA -0.043 4.078 4.120 0.003 0.000 0.260 148 V C 0.783 176.636 176.094 -0.401 0.000 1.099 148 V CA 1.404 63.514 62.300 -0.317 0.000 1.122 148 V CB -1.178 30.374 31.823 -0.451 0.000 0.708 148 V HN 0.827 nan 8.190 nan 0.000 0.490 149 Y N -0.486 119.765 120.300 -0.082 0.000 2.461 149 Y HA 0.298 4.849 4.550 0.002 0.000 0.277 149 Y C 0.824 176.673 175.900 -0.086 0.000 1.182 149 Y CA -0.384 57.664 58.100 -0.086 0.000 1.276 149 Y CB -0.026 38.376 38.460 -0.097 0.000 1.087 149 Y HN 0.237 nan 8.280 nan 0.000 0.519 150 D N 0.059 120.462 120.400 0.005 0.000 2.380 150 D HA 0.399 5.041 4.640 0.003 0.000 0.230 150 D C 0.985 177.264 176.300 -0.034 0.000 1.154 150 D CA 0.951 54.938 54.000 -0.021 0.000 0.859 150 D CB 0.597 41.376 40.800 -0.034 0.000 1.045 150 D HN 0.454 nan 8.370 nan 0.000 0.495 151 G N 4.745 113.529 108.800 -0.026 0.000 2.905 151 G HA2 -0.184 3.777 3.960 0.003 0.000 0.199 151 G HA3 -0.184 3.777 3.960 0.003 0.000 0.199 151 G C -1.950 172.941 174.900 -0.015 0.000 1.370 151 G CA -0.487 44.597 45.100 -0.028 0.000 0.966 151 G HN 0.548 nan 8.290 nan 0.000 0.522 152 P HA 0.430 nan 4.420 nan 0.000 0.268 152 P C 0.422 177.742 177.300 0.034 0.000 1.208 152 P CA 0.678 63.784 63.100 0.009 0.000 0.777 152 P CB 1.062 32.769 31.700 0.011 0.000 0.875 153 S N 0.315 116.037 115.700 0.036 0.000 2.632 153 S HA 0.142 4.613 4.470 0.003 0.000 0.267 153 S C 1.258 175.902 174.600 0.073 0.000 1.276 153 S CA -0.684 57.548 58.200 0.053 0.000 0.998 153 S CB 0.404 63.632 63.200 0.047 0.000 0.953 153 S HN 0.154 nan 8.310 nan 0.000 0.547 154 V N 1.210 121.181 119.914 0.095 0.000 2.407 154 V HA -0.132 3.990 4.120 0.003 0.000 0.248 154 V C 2.331 178.474 176.094 0.082 0.000 1.055 154 V CA 1.812 64.165 62.300 0.089 0.000 1.049 154 V CB -1.109 30.772 31.823 0.098 0.000 0.662 154 V HN 0.822 nan 8.190 nan 0.000 0.455 155 L N -0.006 121.267 121.223 0.082 0.000 2.083 155 L HA -0.187 4.154 4.340 0.003 0.000 0.209 155 L C 2.413 179.319 176.870 0.061 0.000 1.083 155 L CA 1.877 56.760 54.840 0.072 0.000 0.752 155 L CB -0.685 41.406 42.059 0.053 0.000 0.899 155 L HN 0.343 nan 8.230 nan 0.000 0.433 156 Q N -1.445 118.387 119.800 0.053 0.000 2.167 156 Q HA -0.143 4.198 4.340 0.003 0.000 0.202 156 Q C 2.136 178.163 176.000 0.045 0.000 0.970 156 Q CA 1.560 57.389 55.803 0.043 0.000 0.855 156 Q CB -0.092 28.662 28.738 0.028 0.000 0.911 156 Q HN 0.467 nan 8.270 nan 0.000 0.438 157 V N 0.884 120.836 119.914 0.063 0.000 2.307 157 V HA -0.255 3.867 4.120 0.003 0.000 0.245 157 V C 2.160 178.284 176.094 0.051 0.000 1.045 157 V CA 1.452 63.789 62.300 0.062 0.000 1.024 157 V CB -0.498 31.359 31.823 0.056 0.000 0.651 157 V HN 0.346 nan 8.190 nan 0.000 0.449 158 L N 0.022 121.292 121.223 0.079 0.000 2.081 158 L HA -0.221 4.120 4.340 0.003 0.000 0.212 158 L C 1.853 178.825 176.870 0.170 0.000 1.080 158 L CA 1.582 56.492 54.840 0.117 0.000 0.754 158 L CB -0.478 41.659 42.059 0.131 0.000 0.893 158 L HN 0.372 nan 8.230 nan 0.000 0.433 159 D N -1.102 119.386 120.400 0.147 0.000 2.349 159 D HA 0.063 4.705 4.640 0.003 0.000 0.214 159 D C 0.761 177.174 176.300 0.187 0.000 1.063 159 D CA 0.155 54.295 54.000 0.233 0.000 0.847 159 D CB 0.409 41.292 40.800 0.139 0.000 0.933 159 D HN 0.072 nan 8.370 nan 0.000 0.513 160 M N 0.211 119.819 119.600 0.013 0.000 2.249 160 M HA -0.250 4.231 4.480 0.003 0.000 0.198 160 M C -0.432 175.760 176.300 -0.181 0.000 0.394 160 M CA 0.718 55.882 55.300 -0.227 0.000 0.427 160 M CB -2.345 29.891 32.600 -0.608 0.000 1.307 160 M HN 0.173 nan 8.290 nan 0.000 0.924 161 Q N 0.142 119.905 119.800 -0.061 0.000 2.354 161 Q HA 0.565 4.907 4.340 0.003 0.000 0.372 161 Q C -0.264 175.700 176.000 -0.061 0.000 0.923 161 Q CA -0.018 55.766 55.803 -0.031 0.000 1.123 161 Q CB 0.788 29.546 28.738 0.034 0.000 1.298 161 Q HN 0.597 nan 8.270 nan 0.000 0.419 162 I N -0.073 120.426 120.570 -0.118 0.000 2.466 162 I HA 0.227 4.399 4.170 0.003 0.000 0.289 162 I C -0.118 175.899 176.117 -0.167 0.000 1.026 162 I CA -0.831 60.388 61.300 -0.135 0.000 1.078 162 I CB 2.209 40.111 38.000 -0.164 0.000 1.249 162 I HN -0.033 nan 8.210 nan 0.000 0.429 163 S N 6.971 122.589 115.700 -0.136 0.000 2.481 163 S HA 0.606 5.077 4.470 0.003 0.000 0.276 163 S C -0.532 173.979 174.600 -0.148 0.000 1.247 163 S CA -0.101 58.025 58.200 -0.122 0.000 1.053 163 S CB -0.074 63.077 63.200 -0.082 0.000 0.925 163 S HN 0.406 nan 8.310 nan 0.000 0.491 164 I N 3.304 123.793 120.570 -0.135 0.000 2.686 164 I HA 0.261 4.432 4.170 0.003 0.000 0.295 164 I C -0.757 175.338 176.117 -0.036 0.000 1.114 164 I CA -0.902 60.320 61.300 -0.130 0.000 1.038 164 I CB 2.115 40.007 38.000 -0.180 0.000 1.238 164 I HN 0.451 nan 8.210 nan 0.000 0.420 165 D N 5.494 125.881 120.400 -0.022 0.000 2.498 165 D HA 0.080 4.722 4.640 0.003 0.000 0.229 165 D C -1.393 174.969 176.300 0.103 0.000 1.188 165 D CA 0.644 54.657 54.000 0.021 0.000 1.028 165 D CB -0.247 40.548 40.800 -0.008 0.000 1.087 165 D HN 0.409 nan 8.370 nan 0.000 0.510 166 Y N 2.718 123.001 120.300 -0.029 0.000 2.298 166 Y HA 0.201 4.753 4.550 0.003 0.000 0.322 166 Y C -1.150 174.757 175.900 0.012 0.000 1.138 166 Y CA -1.245 56.863 58.100 0.014 0.000 1.127 166 Y CB 0.786 39.255 38.460 0.015 0.000 1.178 166 Y HN 0.038 nan 8.280 nan 0.000 0.428 167 N N 4.377 123.119 118.700 0.071 0.000 2.439 167 N HA 0.049 4.791 4.740 0.003 0.000 0.243 167 N C -0.417 175.135 175.510 0.071 0.000 1.088 167 N CA -0.034 53.055 53.050 0.065 0.000 0.940 167 N CB 0.926 39.410 38.487 -0.005 0.000 1.180 167 N HN 0.755 nan 8.380 nan 0.000 0.505 168 E N 2.372 122.673 120.200 0.168 0.000 2.346 168 E HA 0.019 4.370 4.350 0.003 0.000 0.317 168 E C -1.080 175.340 176.600 -0.300 0.000 1.404 168 E CA -0.217 56.218 56.400 0.059 0.000 1.534 168 E CB -0.370 29.428 29.700 0.162 0.000 1.309 168 E HN 0.370 nan 8.360 nan 0.000 0.499 169 D N 1.011 121.276 120.400 -0.225 0.000 2.349 169 D HA 0.022 4.664 4.640 0.003 0.000 0.232 169 D C -0.248 175.960 176.300 -0.153 0.000 1.071 169 D CA -0.565 53.317 54.000 -0.196 0.000 0.832 169 D CB 0.551 41.326 40.800 -0.042 0.000 1.086 169 D HN 0.297 nan 8.370 nan 0.000 0.504 170 Y N 2.001 122.392 120.300 0.152 0.000 2.546 170 Y HA -0.001 4.551 4.550 0.003 0.000 0.287 170 Y C 1.977 177.960 175.900 0.139 0.000 1.158 170 Y CA 0.105 58.302 58.100 0.162 0.000 1.307 170 Y CB 0.082 38.650 38.460 0.179 0.000 1.036 170 Y HN 0.373 nan 8.280 nan 0.000 0.532 171 V N -4.326 115.716 119.914 0.214 0.000 3.645 171 V HA 0.192 4.314 4.120 0.003 0.000 0.275 171 V C 0.201 176.360 176.094 0.108 0.000 1.356 171 V CA -0.040 62.358 62.300 0.163 0.000 1.051 171 V CB 0.386 32.297 31.823 0.147 0.000 0.828 171 V HN -0.002 nan 8.190 nan 0.000 0.441 172 D N 3.223 123.673 120.400 0.083 0.000 2.325 172 D HA 0.276 4.918 4.640 0.003 0.000 0.251 172 D C -1.390 174.940 176.300 0.050 0.000 1.196 172 D CA -2.126 51.907 54.000 0.054 0.000 0.866 172 D CB 2.051 42.870 40.800 0.033 0.000 1.101 172 D HN 0.214 nan 8.370 nan 0.000 0.476 173 P HA -0.054 nan 4.420 nan 0.000 0.228 173 P C 0.586 177.903 177.300 0.028 0.000 1.151 173 P CA 0.465 63.590 63.100 0.042 0.000 0.770 173 P CB 0.312 32.037 31.700 0.040 0.000 0.786 174 A N -0.158 122.675 122.820 0.021 0.000 2.267 174 A HA 0.180 4.502 4.320 0.003 0.000 0.213 174 A C 1.232 178.813 177.584 -0.006 0.000 1.192 174 A CA 0.097 52.140 52.037 0.011 0.000 0.851 174 A CB -0.649 18.358 19.000 0.013 0.000 0.881 174 A HN 0.328 nan 8.150 nan 0.000 0.494 175 S N -0.348 115.344 115.700 -0.014 0.000 2.593 175 S HA 0.242 4.713 4.470 0.003 0.000 0.269 175 S C 0.527 175.061 174.600 -0.109 0.000 1.334 175 S CA -0.000 58.166 58.200 -0.056 0.000 1.015 175 S CB 0.914 64.083 63.200 -0.051 0.000 0.912 175 S HN 0.262 nan 8.310 nan 0.000 0.541 176 E N 1.033 121.092 120.200 -0.235 0.000 2.204 176 E HA -0.056 4.296 4.350 0.003 0.000 0.195 176 E C 1.840 178.183 176.600 -0.429 0.000 0.990 176 E CA 0.818 56.992 56.400 -0.377 0.000 0.821 176 E CB -0.569 28.677 29.700 -0.757 0.000 0.750 176 E HN 0.527 nan 8.360 nan 0.000 0.477 177 V N 1.097 120.814 119.914 -0.328 0.000 2.282 177 V HA -0.337 3.785 4.120 0.003 0.000 0.249 177 V C 2.235 178.357 176.094 0.047 0.000 1.057 177 V CA 1.988 64.292 62.300 0.006 0.000 1.032 177 V CB -0.487 31.400 31.823 0.107 0.000 0.645 177 V HN 0.360 nan 8.190 nan 0.000 0.447 178 Q N -0.587 119.221 119.800 0.014 0.000 2.119 178 Q HA -0.159 4.183 4.340 0.003 0.000 0.201 178 Q C 2.338 178.322 176.000 -0.028 0.000 0.972 178 Q CA 1.991 57.813 55.803 0.031 0.000 0.847 178 Q CB -0.562 28.197 28.738 0.035 0.000 0.903 178 Q HN 0.648 nan 8.270 nan 0.000 0.433 179 T N 0.180 114.687 114.554 -0.078 0.000 2.746 179 T HA -0.182 4.169 4.350 0.003 0.000 0.267 179 T C 1.658 176.110 174.700 -0.414 0.000 1.039 179 T CA 1.460 63.478 62.100 -0.137 0.000 1.142 179 T CB -0.385 68.475 68.868 -0.013 0.000 0.866 179 T HN 0.480 nan 8.240 nan 0.000 0.444 180 H N 0.793 119.406 119.070 -0.761 0.000 2.319 180 H HA -0.132 4.425 4.556 0.003 0.000 0.299 180 H C 1.959 177.077 175.328 -0.350 0.000 1.092 180 H CA 1.314 56.779 56.048 -0.972 0.000 1.302 180 H CB 0.114 29.657 29.762 -0.365 0.000 1.373 180 H HN 0.192 nan 8.280 nan 0.000 0.497 181 D N -0.002 120.368 120.400 -0.049 0.000 2.123 181 D HA -0.130 4.512 4.640 0.003 0.000 0.196 181 D C 2.359 178.633 176.300 -0.044 0.000 0.992 181 D CA 1.012 54.986 54.000 -0.042 0.000 0.833 181 D CB -0.185 40.677 40.800 0.104 0.000 0.954 181 D HN 0.400 nan 8.370 nan 0.000 0.455 182 R N 0.283 120.756 120.500 -0.045 0.000 2.092 182 R HA 0.018 4.359 4.340 0.003 0.000 0.231 182 R C 2.327 178.601 176.300 -0.043 0.000 1.119 182 R CA 0.945 57.027 56.100 -0.030 0.000 0.970 182 R CB -0.188 30.100 30.300 -0.021 0.000 0.864 182 R HN 0.048 nan 8.270 nan 0.000 0.440 183 S N 0.527 116.175 115.700 -0.087 0.000 2.423 183 S HA -0.066 4.405 4.470 0.003 0.000 0.231 183 S C 1.757 176.343 174.600 -0.024 0.000 1.014 183 S CA 1.195 59.363 58.200 -0.053 0.000 0.965 183 S CB 0.175 63.319 63.200 -0.092 0.000 0.785 183 S HN 0.449 nan 8.310 nan 0.000 0.495 184 A N -0.173 122.624 122.820 -0.039 0.000 2.252 184 A HA 0.577 4.899 4.320 0.003 0.000 0.213 184 A C 1.537 179.063 177.584 -0.096 0.000 1.188 184 A CA 0.664 52.666 52.037 -0.058 0.000 0.863 184 A CB -0.176 18.769 19.000 -0.092 0.000 0.893 184 A HN 0.796 nan 8.150 nan 0.000 0.495 185 G N -2.764 106.005 108.800 -0.052 0.000 2.159 185 G HA2 -0.249 3.713 3.960 0.003 0.000 0.227 185 G HA3 -0.249 3.713 3.960 0.003 0.000 0.227 185 G C 0.450 175.379 174.900 0.048 0.000 0.986 185 G CA 0.347 45.444 45.100 -0.005 0.000 0.651 185 G HN 0.369 nan 8.290 nan 0.000 0.523 186 W N 0.860 121.972 121.300 -0.313 0.000 2.678 186 W HA 0.435 5.097 4.660 0.002 0.000 0.256 186 W C 1.622 178.039 176.519 -0.169 0.000 1.280 186 W CA 0.647 57.810 57.345 -0.302 0.000 1.345 186 W CB 0.166 29.367 29.460 -0.431 0.000 1.118 186 W HN 0.228 nan 8.180 nan 0.000 0.629 187 R N -1.494 119.049 120.500 0.072 0.000 2.836 187 R HA 0.353 4.695 4.340 0.003 0.000 0.269 187 R C -0.323 175.985 176.300 0.013 0.000 1.010 187 R CA -0.802 55.317 56.100 0.031 0.000 0.930 187 R CB 1.307 31.637 30.300 0.051 0.000 1.218 187 R HN -0.407 nan 8.270 nan 0.000 0.473 188 T N 2.474 117.033 114.554 0.008 0.000 2.888 188 T HA 0.099 4.450 4.350 0.003 0.000 0.301 188 T C 0.361 175.071 174.700 0.017 0.000 1.001 188 T CA 0.048 62.154 62.100 0.010 0.000 1.147 188 T CB 0.200 69.075 68.868 0.011 0.000 0.931 188 T HN 0.203 nan 8.240 nan 0.000 0.541 189 R N 2.588 123.099 120.500 0.019 0.000 2.679 189 R HA 0.238 4.579 4.340 0.003 0.000 0.268 189 R C 0.559 176.881 176.300 0.037 0.000 1.044 189 R CA 0.034 56.148 56.100 0.024 0.000 1.105 189 R CB 0.552 30.868 30.300 0.026 0.000 0.989 189 R HN 0.525 nan 8.270 nan 0.000 0.447 190 R N 0.643 121.167 120.500 0.040 0.000 2.720 190 R HA 0.150 4.491 4.340 0.003 0.000 0.272 190 R C -0.356 175.994 176.300 0.083 0.000 0.991 190 R CA -1.044 55.094 56.100 0.064 0.000 1.010 190 R CB 0.899 31.232 30.300 0.055 0.000 1.141 190 R HN 0.542 nan 8.270 nan 0.000 0.494 191 H N -0.061 119.022 119.070 0.021 0.000 3.034 191 H HA 0.116 4.673 4.556 0.002 0.000 0.324 191 H C 1.102 176.446 175.328 0.027 0.000 1.015 191 H CA 1.977 58.039 56.048 0.023 0.000 1.429 191 H CB 0.378 30.152 29.762 0.020 0.000 1.429 191 H HN 0.819 nan 8.280 nan 0.000 0.585 192 G N 3.758 112.275 108.800 -0.471 0.000 2.175 192 G HA2 -0.252 3.709 3.960 0.003 0.000 0.244 192 G HA3 -0.252 3.709 3.960 0.003 0.000 0.244 192 G C -0.017 174.817 174.900 -0.109 0.000 0.982 192 G CA 0.088 44.998 45.100 -0.316 0.000 0.641 192 G HN 0.695 nan 8.290 nan 0.000 0.527 193 D N 1.615 121.979 120.400 -0.059 0.000 2.357 193 D HA 0.476 5.118 4.640 0.003 0.000 0.242 193 D C -1.740 174.568 176.300 0.014 0.000 1.153 193 D CA -0.920 53.081 54.000 0.001 0.000 0.918 193 D CB 0.679 41.484 40.800 0.009 0.000 1.181 193 D HN 0.117 nan 8.370 nan 0.000 0.435 194 P HA 0.096 nan 4.420 nan 0.000 0.269 194 P C -0.134 177.193 177.300 0.045 0.000 1.215 194 P CA -0.155 62.991 63.100 0.077 0.000 0.780 194 P CB 0.650 32.452 31.700 0.170 0.000 0.898 195 A N 1.928 124.768 122.820 0.033 0.000 2.014 195 A HA 0.014 4.336 4.320 0.003 0.000 0.218 195 A C 0.456 178.043 177.584 0.006 0.000 1.163 195 A CA 1.610 53.658 52.037 0.018 0.000 0.652 195 A CB -0.781 18.230 19.000 0.019 0.000 0.808 195 A HN 0.733 nan 8.150 nan 0.000 0.449 196 D N -5.637 114.762 120.400 -0.002 0.000 2.677 196 D HA 0.343 4.984 4.640 0.003 0.000 0.298 196 D C 0.373 176.629 176.300 -0.074 0.000 1.250 196 D CA 0.104 54.067 54.000 -0.061 0.000 0.888 196 D CB -0.012 40.717 40.800 -0.118 0.000 1.397 196 D HN -0.205 nan 8.370 nan 0.000 0.461 197 T N -0.961 113.478 114.554 -0.192 0.000 2.777 197 T HA -0.123 4.229 4.350 0.003 0.000 0.266 197 T C 1.297 175.852 174.700 -0.241 0.000 1.040 197 T CA 1.413 63.440 62.100 -0.121 0.000 1.141 197 T CB -0.594 68.243 68.868 -0.051 0.000 0.868 197 T HN 0.377 nan 8.240 nan 0.000 0.444 198 Y N 1.630 121.614 120.300 -0.526 0.000 2.128 198 Y HA -0.120 4.431 4.550 0.002 0.000 0.284 198 Y C 2.604 178.344 175.900 -0.267 0.000 1.154 198 Y CA 0.891 58.511 58.100 -0.800 0.000 1.149 198 Y CB -0.696 37.033 38.460 -1.219 0.000 0.976 198 Y HN 0.308 nan 8.280 nan 0.000 0.505 199 E N -0.271 119.947 120.200 0.029 0.000 2.077 199 E HA -0.254 4.097 4.350 0.003 0.000 0.193 199 E C 2.098 178.766 176.600 0.113 0.000 0.989 199 E CA 1.264 57.718 56.400 0.089 0.000 0.800 199 E CB -0.424 29.322 29.700 0.076 0.000 0.746 199 E HN 0.411 nan 8.360 nan 0.000 0.452 200 F N 1.431 121.375 119.950 -0.009 0.000 2.126 200 F HA -0.190 4.338 4.527 0.002 0.000 0.299 200 F C 1.834 177.653 175.800 0.032 0.000 1.096 200 F CA 1.435 59.435 58.000 -0.000 0.000 1.255 200 F CB -0.276 38.709 39.000 -0.026 0.000 0.997 200 F HN 0.008 nan 8.300 nan 0.000 0.479 201 L N 0.086 121.240 121.223 -0.115 0.000 2.083 201 L HA -0.213 4.129 4.340 0.003 0.000 0.209 201 L C 2.550 179.412 176.870 -0.013 0.000 1.083 201 L CA 1.804 56.572 54.840 -0.122 0.000 0.752 201 L CB -1.371 40.773 42.059 0.141 0.000 0.899 201 L HN 0.360 nan 8.230 nan 0.000 0.433 202 T N -4.462 110.140 114.554 0.080 0.000 3.051 202 T HA -0.123 4.229 4.350 0.003 0.000 0.269 202 T C 1.683 176.380 174.700 -0.005 0.000 1.127 202 T CA 1.226 63.380 62.100 0.090 0.000 1.107 202 T CB -0.611 68.340 68.868 0.137 0.000 0.898 202 T HN 0.473 nan 8.240 nan 0.000 0.517 203 T N -0.252 114.244 114.554 -0.097 0.000 3.100 203 T HA 0.333 4.684 4.350 0.003 0.000 0.253 203 T C 0.668 175.283 174.700 -0.142 0.000 1.118 203 T CA -0.369 61.666 62.100 -0.108 0.000 1.058 203 T CB -0.577 68.228 68.868 -0.106 0.000 0.953 203 T HN 0.391 nan 8.240 nan 0.000 0.515 204 L N 2.136 123.249 121.223 -0.182 0.000 2.380 204 L HA 0.496 4.838 4.340 0.003 0.000 0.273 204 L C 0.593 177.386 176.870 -0.128 0.000 1.138 204 L CA -0.650 54.093 54.840 -0.162 0.000 0.832 204 L CB 0.514 42.482 42.059 -0.151 0.000 1.124 204 L HN 0.104 nan 8.230 nan 0.000 0.454 205 R N 1.647 122.078 120.500 -0.115 0.000 2.867 205 R HA 0.834 5.176 4.340 0.003 0.000 0.268 205 R C -0.365 175.864 176.300 -0.120 0.000 1.014 205 R CA -0.841 55.192 56.100 -0.111 0.000 0.946 205 R CB 2.035 32.292 30.300 -0.071 0.000 1.208 205 R HN 0.781 nan 8.270 nan 0.000 0.477 206 G N -0.435 108.294 108.800 -0.119 0.000 2.645 206 G HA2 0.231 4.192 3.960 0.003 0.000 0.292 206 G HA3 0.231 4.192 3.960 0.003 0.000 0.292 206 G C -0.568 174.282 174.900 -0.083 0.000 1.415 206 G CA -0.519 44.517 45.100 -0.108 0.000 0.785 206 G HN 0.497 nan 8.290 nan 0.000 0.483 207 D N -1.697 118.661 120.400 -0.069 0.000 2.349 207 D HA 0.281 4.923 4.640 0.003 0.000 0.224 207 D C 1.653 177.920 176.300 -0.054 0.000 1.029 207 D CA 1.159 55.127 54.000 -0.052 0.000 0.879 207 D CB 0.173 40.950 40.800 -0.039 0.000 0.906 207 D HN 1.703 nan 8.370 nan 0.000 0.528 208 G N -0.057 108.700 108.800 -0.071 0.000 2.213 208 G HA2 -0.262 3.699 3.960 0.003 0.000 0.226 208 G HA3 -0.262 3.699 3.960 0.003 0.000 0.226 208 G C 0.411 175.275 174.900 -0.059 0.000 0.992 208 G CA 0.260 45.319 45.100 -0.067 0.000 0.632 208 G HN 0.839 nan 8.290 nan 0.000 0.511 209 S N 0.507 116.175 115.700 -0.054 0.000 2.592 209 S HA 0.715 5.187 4.470 0.003 0.000 0.271 209 S C 0.265 174.835 174.600 -0.050 0.000 1.326 209 S CA 0.996 59.171 58.200 -0.042 0.000 1.024 209 S CB 1.857 65.039 63.200 -0.031 0.000 0.921 209 S HN 1.744 nan 8.310 nan 0.000 0.527 210 T N -2.790 111.743 114.554 -0.035 0.000 2.838 210 T HA 0.790 5.142 4.350 0.003 0.000 0.292 210 T C 0.793 175.486 174.700 -0.011 0.000 1.113 210 T CA -0.264 61.817 62.100 -0.032 0.000 1.008 210 T CB 1.032 69.882 68.868 -0.029 0.000 1.259 210 T HN 1.954 nan 8.240 nan 0.000 0.520 211 G N -0.007 108.793 108.800 0.001 0.000 2.232 211 G HA2 -0.182 3.779 3.960 0.003 0.000 0.226 211 G HA3 -0.182 3.779 3.960 0.003 0.000 0.226 211 G C -0.105 174.821 174.900 0.044 0.000 0.996 211 G CA 0.251 45.365 45.100 0.022 0.000 0.626 211 G HN 1.062 nan 8.290 nan 0.000 0.509 212 E N -0.043 120.179 120.200 0.036 0.000 2.191 212 E HA 0.583 4.935 4.350 0.003 0.000 0.278 212 E C -0.477 176.171 176.600 0.080 0.000 0.972 212 E CA -1.218 55.224 56.400 0.071 0.000 0.804 212 E CB 0.743 30.475 29.700 0.052 0.000 1.110 212 E HN 0.176 nan 8.360 nan 0.000 0.394 213 F N 3.807 123.742 119.950 -0.024 0.000 2.578 213 F HA 0.045 4.574 4.527 0.003 0.000 0.381 213 F C -0.271 175.491 175.800 -0.063 0.000 1.069 213 F CA 0.589 58.545 58.000 -0.074 0.000 1.231 213 F CB 0.459 39.416 39.000 -0.072 0.000 1.086 213 F HN 0.408 nan 8.300 nan 0.000 0.564 214 Q N 6.797 126.154 119.800 -0.739 0.000 2.294 214 Q HA 0.154 4.496 4.340 0.003 0.000 0.264 214 Q C -1.797 173.646 176.000 -0.928 0.000 0.992 214 Q CA -0.936 54.453 55.803 -0.690 0.000 0.747 214 Q CB 1.081 29.628 28.738 -0.318 0.000 1.262 214 Q HN 0.774 nan 8.270 nan 0.000 0.452 215 Y N 3.155 122.781 120.300 -1.124 0.000 2.569 215 Y HA 0.229 4.781 4.550 0.003 0.000 0.332 215 Y C -0.831 174.835 175.900 -0.390 0.000 1.120 215 Y CA 0.423 58.077 58.100 -0.745 0.000 1.416 215 Y CB 0.620 38.915 38.460 -0.275 0.000 1.210 215 Y HN 0.678 nan 8.280 nan 0.000 0.528 216 C N 5.890 124.756 119.300 -0.724 0.000 2.599 216 C HA 0.315 4.776 4.460 0.003 0.000 0.354 216 C C 1.073 175.677 174.990 -0.643 0.000 1.092 216 C CA -0.434 58.207 59.018 -0.627 0.000 1.280 216 C CB 0.312 27.709 27.740 -0.573 0.000 1.829 216 C HN 1.013 nan 8.230 nan 0.000 0.454 217 S N 2.809 118.226 115.700 -0.472 0.000 2.442 217 S HA -0.105 4.366 4.470 0.003 0.000 0.236 217 S C 1.989 176.525 174.600 -0.108 0.000 1.007 217 S CA 1.467 59.525 58.200 -0.237 0.000 0.965 217 S CB 0.002 63.210 63.200 0.013 0.000 0.773 217 S HN 1.027 nan 8.310 nan 0.000 0.504 218 A N 2.282 124.994 122.820 -0.179 0.000 1.972 218 A HA -0.152 4.169 4.320 0.003 0.000 0.219 218 A C 1.884 179.412 177.584 -0.092 0.000 1.169 218 A CA 1.541 53.544 52.037 -0.057 0.000 0.635 218 A CB -0.618 18.345 19.000 -0.063 0.000 0.810 218 A HN 0.447 nan 8.150 nan 0.000 0.446 219 N N -0.050 118.572 118.700 -0.130 0.000 2.104 219 N HA -0.110 4.632 4.740 0.003 0.000 0.190 219 N C 1.667 177.090 175.510 -0.145 0.000 1.024 219 N CA 2.048 55.032 53.050 -0.110 0.000 0.853 219 N CB -0.724 37.692 38.487 -0.118 0.000 1.008 219 N HN 0.504 nan 8.380 nan 0.000 0.424 220 T N 0.502 114.962 114.554 -0.157 0.000 2.821 220 T HA -0.067 4.285 4.350 0.003 0.000 0.267 220 T C 0.960 175.569 174.700 -0.152 0.000 1.046 220 T CA 1.119 63.129 62.100 -0.149 0.000 1.139 220 T CB -0.240 68.520 68.868 -0.179 0.000 0.871 220 T HN 0.188 nan 8.240 nan 0.000 0.454 221 D N 0.784 121.121 120.400 -0.106 0.000 2.183 221 D HA -0.009 4.633 4.640 0.003 0.000 0.203 221 D C 2.189 178.565 176.300 0.126 0.000 0.969 221 D CA 0.352 54.367 54.000 0.026 0.000 0.842 221 D CB -0.433 40.454 40.800 0.145 0.000 0.957 221 D HN 0.187 nan 8.370 nan 0.000 0.484 222 V N 0.920 120.813 119.914 -0.036 0.000 2.343 222 V HA -0.213 3.909 4.120 0.003 0.000 0.247 222 V C 2.553 178.637 176.094 -0.017 0.000 1.051 222 V CA 1.109 63.360 62.300 -0.083 0.000 1.036 222 V CB -0.434 31.064 31.823 -0.543 0.000 0.654 222 V HN 0.234 nan 8.190 nan 0.000 0.451 223 L N 0.096 121.284 121.223 -0.059 0.000 2.042 223 L HA -0.190 4.152 4.340 0.003 0.000 0.210 223 L C 2.734 179.603 176.870 -0.002 0.000 1.076 223 L CA 1.689 56.505 54.840 -0.041 0.000 0.749 223 L CB -0.836 41.196 42.059 -0.047 0.000 0.893 223 L HN 0.376 nan 8.230 nan 0.000 0.432 224 A N -0.779 122.013 122.820 -0.047 0.000 1.933 224 A HA -0.253 4.069 4.320 0.003 0.000 0.218 224 A C 2.066 179.850 177.584 0.333 0.000 1.175 224 A CA 1.274 53.250 52.037 -0.102 0.000 0.628 224 A CB -0.893 17.724 19.000 -0.638 0.000 0.814 224 A HN 0.627 nan 8.150 nan 0.000 0.444 225 W N 0.893 122.305 121.300 0.187 0.000 2.358 225 W HA -0.139 4.522 4.660 0.002 0.000 0.303 225 W C 1.856 178.427 176.519 0.086 0.000 1.208 225 W CA 1.337 58.784 57.345 0.169 0.000 1.274 225 W CB -0.776 28.718 29.460 0.057 0.000 1.138 225 W HN 0.344 nan 8.180 nan 0.000 0.515 226 I N -0.178 120.501 120.570 0.182 0.000 2.163 226 I HA -0.348 3.823 4.170 0.003 0.000 0.243 226 I C 2.293 178.419 176.117 0.015 0.000 1.085 226 I CA 1.469 62.769 61.300 -0.000 0.000 1.347 226 I CB -1.069 36.856 38.000 -0.124 0.000 1.044 226 I HN -0.296 nan 8.210 nan 0.000 0.408 227 V N 0.791 120.743 119.914 0.062 0.000 2.332 227 V HA -0.308 3.813 4.120 0.003 0.000 0.248 227 V C 2.387 178.566 176.094 0.141 0.000 1.055 227 V CA 2.024 64.361 62.300 0.062 0.000 1.038 227 V CB -0.679 31.238 31.823 0.157 0.000 0.651 227 V HN 0.460 nan 8.190 nan 0.000 0.450 228 E N -0.484 119.877 120.200 0.269 0.000 2.077 228 E HA -0.199 4.153 4.350 0.003 0.000 0.193 228 E C 2.515 179.240 176.600 0.208 0.000 0.989 228 E CA 0.886 57.456 56.400 0.284 0.000 0.800 228 E CB -0.170 29.773 29.700 0.405 0.000 0.746 228 E HN 0.382 nan 8.360 nan 0.000 0.452 229 R N 0.451 121.074 120.500 0.205 0.000 2.115 229 R HA -0.057 4.284 4.340 0.003 0.000 0.230 229 R C 2.270 178.626 176.300 0.093 0.000 1.111 229 R CA 0.628 56.807 56.100 0.133 0.000 0.976 229 R CB -0.540 29.820 30.300 0.099 0.000 0.870 229 R HN 0.132 nan 8.270 nan 0.000 0.445 230 V N 0.545 120.497 119.914 0.064 0.000 2.591 230 V HA -0.124 3.997 4.120 0.003 0.000 0.249 230 V C 2.208 178.328 176.094 0.043 0.000 1.053 230 V CA 2.081 64.402 62.300 0.035 0.000 1.068 230 V CB -0.324 31.454 31.823 -0.074 0.000 0.689 230 V HN 0.481 nan 8.190 nan 0.000 0.462 231 T N -3.939 110.652 114.554 0.062 0.000 2.990 231 T HA 0.304 4.655 4.350 0.003 0.000 0.249 231 T C 1.663 176.426 174.700 0.105 0.000 1.039 231 T CA 0.960 63.118 62.100 0.096 0.000 1.036 231 T CB 0.777 69.727 68.868 0.137 0.000 0.994 231 T HN 0.838 nan 8.240 nan 0.000 0.489 232 G N 1.568 110.430 108.800 0.103 0.000 2.162 232 G HA2 -0.207 3.754 3.960 0.003 0.000 0.260 232 G HA3 -0.207 3.754 3.960 0.003 0.000 0.260 232 G C -0.077 174.885 174.900 0.103 0.000 0.976 232 G CA 0.407 45.561 45.100 0.091 0.000 0.655 232 G HN 0.652 nan 8.290 nan 0.000 0.533 233 L N 0.321 121.624 121.223 0.134 0.000 2.325 233 L HA 0.525 4.867 4.340 0.003 0.000 0.279 233 L C 1.310 178.280 176.870 0.167 0.000 1.054 233 L CA -1.202 53.719 54.840 0.135 0.000 0.804 233 L CB 0.983 43.134 42.059 0.154 0.000 1.200 233 L HN 0.087 nan 8.230 nan 0.000 0.436 234 R N 0.701 121.287 120.500 0.143 0.000 2.638 234 R HA -0.129 4.212 4.340 0.003 0.000 0.268 234 R C 0.631 177.048 176.300 0.196 0.000 1.006 234 R CA 0.112 56.322 56.100 0.182 0.000 1.088 234 R CB 0.242 30.614 30.300 0.119 0.000 0.950 234 R HN 0.508 nan 8.270 nan 0.000 0.419 235 Y N 3.427 123.813 120.300 0.143 0.000 2.193 235 Y HA -0.266 4.286 4.550 0.003 0.000 0.285 235 Y C 1.798 177.716 175.900 0.030 0.000 1.166 235 Y CA 1.831 59.974 58.100 0.072 0.000 1.181 235 Y CB -0.091 38.348 38.460 -0.035 0.000 0.976 235 Y HN 0.405 nan 8.280 nan 0.000 0.520 236 V N 0.505 120.370 119.914 -0.081 0.000 2.324 236 V HA -0.349 3.772 4.120 0.003 0.000 0.250 236 V C 2.394 178.412 176.094 -0.127 0.000 1.060 236 V CA 2.414 64.631 62.300 -0.140 0.000 1.042 236 V CB -0.708 31.110 31.823 -0.008 0.000 0.650 236 V HN 0.511 nan 8.190 nan 0.000 0.450 237 E N -0.041 120.139 120.200 -0.034 0.000 2.072 237 E HA -0.137 4.215 4.350 0.003 0.000 0.190 237 E C 2.243 178.847 176.600 0.007 0.000 0.982 237 E CA 1.037 57.441 56.400 0.006 0.000 0.803 237 E CB -0.221 29.509 29.700 0.051 0.000 0.755 237 E HN 0.549 nan 8.360 nan 0.000 0.453 238 A N 1.153 123.986 122.820 0.020 0.000 1.933 238 A HA -0.168 4.153 4.320 0.003 0.000 0.218 238 A C 2.131 179.753 177.584 0.064 0.000 1.175 238 A CA 1.239 53.365 52.037 0.149 0.000 0.628 238 A CB -0.651 18.446 19.000 0.162 0.000 0.814 238 A HN 0.396 nan 8.150 nan 0.000 0.444 239 L N -0.240 120.831 121.223 -0.253 0.000 2.083 239 L HA -0.098 4.244 4.340 0.003 0.000 0.209 239 L C 2.577 179.455 176.870 0.012 0.000 1.083 239 L CA 2.473 57.177 54.840 -0.227 0.000 0.752 239 L CB -0.670 41.080 42.059 -0.514 0.000 0.899 239 L HN 0.370 nan 8.230 nan 0.000 0.433 240 S N -1.829 113.879 115.700 0.012 0.000 2.345 240 S HA -0.168 4.304 4.470 0.003 0.000 0.219 240 S C 1.917 176.559 174.600 0.070 0.000 1.031 240 S CA 1.719 59.982 58.200 0.106 0.000 0.984 240 S CB -0.447 62.795 63.200 0.071 0.000 0.874 240 S HN 0.606 nan 8.310 nan 0.000 0.451 241 T N 0.425 114.976 114.554 -0.005 0.000 2.746 241 T HA -0.043 4.309 4.350 0.003 0.000 0.267 241 T C 1.213 175.757 174.700 -0.260 0.000 1.039 241 T CA 1.612 63.615 62.100 -0.162 0.000 1.142 241 T CB -0.409 68.288 68.868 -0.285 0.000 0.866 241 T HN 0.561 nan 8.240 nan 0.000 0.444 242 Y N -0.622 119.682 120.300 0.007 0.000 2.500 242 Y HA 0.385 4.937 4.550 0.003 0.000 0.270 242 Y C 1.555 177.462 175.900 0.013 0.000 1.134 242 Y CA -0.102 57.997 58.100 -0.002 0.000 1.293 242 Y CB 0.295 38.744 38.460 -0.019 0.000 1.063 242 Y HN 0.103 nan 8.280 nan 0.000 0.534 243 L N -2.663 118.656 121.223 0.161 0.000 2.865 243 L HA 0.130 4.472 4.340 0.003 0.000 0.167 243 L C 1.665 178.617 176.870 0.137 0.000 1.135 243 L CA 0.505 55.436 54.840 0.152 0.000 0.895 243 L CB -0.867 41.318 42.059 0.210 0.000 1.643 243 L HN 0.197 nan 8.230 nan 0.000 0.518 244 W N 1.233 122.538 121.300 0.009 0.000 2.363 244 W HA -0.118 4.543 4.660 0.003 0.000 0.296 244 W C 1.882 178.401 176.519 0.001 0.000 1.212 244 W CA 1.928 59.278 57.345 0.008 0.000 1.260 244 W CB 0.023 29.483 29.460 -0.000 0.000 1.131 244 W HN 0.410 nan 8.180 nan 0.000 0.530 245 A N 0.163 123.042 122.820 0.098 0.000 2.209 245 A HA -0.126 4.195 4.320 0.003 0.000 0.212 245 A C 1.748 179.296 177.584 -0.059 0.000 1.158 245 A CA 1.077 53.123 52.037 0.015 0.000 0.742 245 A CB -0.428 18.590 19.000 0.030 0.000 0.790 245 A HN 0.303 nan 8.150 nan 0.000 0.472 246 K N -0.613 119.740 120.400 -0.078 0.000 2.374 246 K HA 0.313 4.635 4.320 0.003 0.000 0.196 246 K C 0.877 177.402 176.600 -0.124 0.000 1.023 246 K CA -0.017 56.221 56.287 -0.082 0.000 1.103 246 K CB 0.156 32.626 32.500 -0.050 0.000 0.848 246 K HN 0.419 nan 8.250 nan 0.000 0.528 247 L N 0.665 121.755 121.223 -0.222 0.000 2.492 247 L HA 0.006 4.347 4.340 0.003 0.000 0.223 247 L C 0.090 176.824 176.870 -0.227 0.000 1.132 247 L CA 0.118 54.792 54.840 -0.276 0.000 0.850 247 L CB -0.312 41.430 42.059 -0.527 0.000 0.966 247 L HN 0.238 nan 8.230 nan 0.000 0.454 248 D N 1.055 121.343 120.400 -0.187 0.000 2.697 248 D HA -0.176 4.466 4.640 0.003 0.000 0.238 248 D C 0.308 176.513 176.300 -0.158 0.000 1.152 248 D CA 0.648 54.567 54.000 -0.134 0.000 0.666 248 D CB -0.409 40.338 40.800 -0.088 0.000 1.037 248 D HN 0.348 nan 8.370 nan 0.000 0.423 249 A N 0.549 123.224 122.820 -0.242 0.000 2.386 249 A HA 0.300 4.622 4.320 0.003 0.000 0.248 249 A C 1.366 178.922 177.584 -0.046 0.000 1.082 249 A CA 0.195 52.101 52.037 -0.218 0.000 0.789 249 A CB 0.513 19.256 19.000 -0.428 0.000 1.025 249 A HN 0.272 nan 8.150 nan 0.000 0.490 250 D N 0.341 120.747 120.400 0.010 0.000 2.149 250 D HA -0.015 4.627 4.640 0.003 0.000 0.201 250 D C 0.546 176.892 176.300 0.076 0.000 0.972 250 D CA 1.325 55.346 54.000 0.036 0.000 0.835 250 D CB 0.157 40.979 40.800 0.037 0.000 0.966 250 D HN 0.540 nan 8.370 nan 0.000 0.476 251 R N 0.597 121.189 120.500 0.154 0.000 2.837 251 R HA 0.250 4.591 4.340 0.003 0.000 0.271 251 R C -0.887 175.615 176.300 0.337 0.000 0.993 251 R CA -0.855 55.350 56.100 0.176 0.000 0.931 251 R CB 1.535 31.910 30.300 0.126 0.000 1.206 251 R HN -0.153 nan 8.270 nan 0.000 0.474 252 D N 1.051 121.585 120.400 0.224 0.000 2.419 252 D HA 0.126 4.768 4.640 0.003 0.000 0.236 252 D C 0.099 176.400 176.300 0.002 0.000 1.165 252 D CA 0.568 54.674 54.000 0.177 0.000 0.882 252 D CB 0.694 41.520 40.800 0.044 0.000 1.201 252 D HN 0.539 nan 8.370 nan 0.000 0.443 253 A N 1.195 123.713 122.820 -0.502 0.000 2.246 253 A HA 0.653 4.974 4.320 0.003 0.000 0.291 253 A C 0.400 177.771 177.584 -0.355 0.000 1.103 253 A CA -0.351 51.291 52.037 -0.657 0.000 0.844 253 A CB 0.570 18.709 19.000 -1.434 0.000 1.136 253 A HN 0.598 nan 8.150 nan 0.000 0.500 254 T N -1.895 112.505 114.554 -0.257 0.000 2.916 254 T HA 0.700 5.052 4.350 0.003 0.000 0.292 254 T C -0.621 174.010 174.700 -0.115 0.000 1.064 254 T CA -0.486 61.525 62.100 -0.149 0.000 1.011 254 T CB 1.239 70.053 68.868 -0.089 0.000 1.152 254 T HN 0.961 nan 8.240 nan 0.000 0.510 255 I N 1.826 122.364 120.570 -0.053 0.000 2.692 255 I HA 0.458 4.629 4.170 0.003 0.000 0.293 255 I C 0.078 176.228 176.117 0.055 0.000 1.200 255 I CA -0.700 60.608 61.300 0.015 0.000 1.036 255 I CB 2.352 40.356 38.000 0.007 0.000 1.258 255 I HN 1.121 nan 8.210 nan 0.000 0.421 256 T N 4.577 119.208 114.554 0.129 0.000 2.900 256 T HA 0.484 4.836 4.350 0.003 0.000 0.307 256 T C -0.114 174.645 174.700 0.098 0.000 1.065 256 T CA -0.394 61.781 62.100 0.126 0.000 1.105 256 T CB 1.111 70.131 68.868 0.254 0.000 0.979 256 T HN 0.569 nan 8.240 nan 0.000 0.544 257 V N -0.139 119.812 119.914 0.062 0.000 2.914 257 V HA 0.720 4.842 4.120 0.003 0.000 0.314 257 V C -0.358 175.760 176.094 0.039 0.000 1.084 257 V CA -1.265 61.064 62.300 0.048 0.000 0.963 257 V CB 1.757 33.619 31.823 0.064 0.000 1.025 257 V HN 1.089 nan 8.190 nan 0.000 0.432 258 D N 1.244 121.669 120.400 0.042 0.000 2.478 258 D HA 0.230 4.871 4.640 0.003 0.000 0.274 258 D C 1.319 177.635 176.300 0.026 0.000 1.234 258 D CA 0.421 54.435 54.000 0.024 0.000 1.069 258 D CB 0.414 41.225 40.800 0.018 0.000 1.113 258 D HN 0.808 nan 8.370 nan 0.000 0.571 259 T N -4.393 110.168 114.554 0.012 0.000 3.051 259 T HA -0.105 4.247 4.350 0.003 0.000 0.269 259 T C 1.535 176.246 174.700 0.020 0.000 1.127 259 T CA 1.388 63.502 62.100 0.023 0.000 1.107 259 T CB -0.995 67.886 68.868 0.021 0.000 0.898 259 T HN 0.600 nan 8.240 nan 0.000 0.517 260 T N -2.468 112.089 114.554 0.004 0.000 3.086 260 T HA 0.484 4.835 4.350 0.003 0.000 0.250 260 T C 1.821 176.539 174.700 0.030 0.000 1.074 260 T CA 0.456 62.560 62.100 0.008 0.000 0.988 260 T CB -0.286 68.583 68.868 0.001 0.000 0.988 260 T HN 0.823 nan 8.240 nan 0.000 0.530 261 G N 1.096 109.929 108.800 0.055 0.000 2.157 261 G HA2 -0.219 3.743 3.960 0.003 0.000 0.248 261 G HA3 -0.219 3.743 3.960 0.003 0.000 0.248 261 G C -0.215 174.760 174.900 0.126 0.000 0.979 261 G CA -0.110 45.038 45.100 0.081 0.000 0.650 261 G HN 0.643 nan 8.290 nan 0.000 0.529 262 F N 2.757 122.661 119.950 -0.077 0.000 2.472 262 F HA 0.570 5.099 4.527 0.003 0.000 0.364 262 F C 0.990 176.780 175.800 -0.017 0.000 1.090 262 F CA -0.347 57.588 58.000 -0.109 0.000 1.188 262 F CB 0.634 39.357 39.000 -0.461 0.000 1.105 262 F HN 0.268 nan 8.300 nan 0.000 0.536 263 G N 5.496 114.029 108.800 -0.445 0.000 2.442 263 G HA2 0.074 4.036 3.960 0.003 0.000 0.249 263 G HA3 0.074 4.036 3.960 0.003 0.000 0.249 263 G C -0.887 173.719 174.900 -0.490 0.000 1.263 263 G CA -0.568 44.370 45.100 -0.269 0.000 0.846 263 G HN 0.682 nan 8.290 nan 0.000 0.555 264 F N 3.559 123.310 119.950 -0.333 0.000 2.679 264 F HA 0.379 4.907 4.527 0.002 0.000 0.351 264 F C 1.557 177.179 175.800 -0.297 0.000 1.279 264 F CA -0.886 56.905 58.000 -0.349 0.000 1.227 264 F CB 0.236 39.048 39.000 -0.315 0.000 1.623 264 F HN 0.505 nan 8.300 nan 0.000 0.666 265 A N 3.215 125.737 122.820 -0.498 0.000 2.019 265 A HA -0.260 4.061 4.320 0.003 0.000 0.219 265 A C 2.064 179.442 177.584 -0.343 0.000 1.164 265 A CA 1.776 53.560 52.037 -0.421 0.000 0.644 265 A CB -0.838 17.672 19.000 -0.817 0.000 0.805 265 A HN 0.779 nan 8.150 nan 0.000 0.449 266 N N -1.772 116.598 118.700 -0.549 0.000 2.396 266 N HA 0.207 4.949 4.740 0.003 0.000 0.180 266 N C 0.994 176.299 175.510 -0.341 0.000 1.028 266 N CA 1.613 54.394 53.050 -0.448 0.000 0.893 266 N CB -0.075 38.082 38.487 -0.550 0.000 0.967 266 N HN 0.275 nan 8.380 nan 0.000 0.440 267 G N -2.177 106.396 108.800 -0.378 0.000 3.934 267 G HA2 0.195 4.156 3.960 0.003 0.000 0.212 267 G HA3 0.195 4.156 3.960 0.003 0.000 0.212 267 G C 0.680 175.775 174.900 0.326 0.000 1.126 267 G CA -0.096 44.982 45.100 -0.036 0.000 0.877 267 G HN 0.350 nan 8.290 nan 0.000 0.556 268 G N 0.637 109.652 108.800 0.358 0.000 3.233 268 G HA2 0.409 4.371 3.960 0.003 0.000 0.234 268 G HA3 0.409 4.371 3.960 0.003 0.000 0.234 268 G C 0.182 175.246 174.900 0.272 0.000 1.137 268 G CA 0.054 45.489 45.100 0.558 0.000 0.763 268 G HN 0.252 nan 8.290 nan 0.000 0.549 269 V N 1.270 121.278 119.914 0.156 0.000 2.649 269 V HA 0.474 4.596 4.120 0.003 0.000 0.292 269 V C 0.138 176.254 176.094 0.037 0.000 1.055 269 V CA -0.103 62.221 62.300 0.041 0.000 1.023 269 V CB 1.430 33.245 31.823 -0.014 0.000 0.992 269 V HN 0.163 nan 8.190 nan 0.000 0.480 270 S N 2.646 118.329 115.700 -0.027 0.000 2.526 270 S HA 0.816 5.287 4.470 0.003 0.000 0.293 270 S C -0.431 174.139 174.600 -0.050 0.000 1.092 270 S CA -0.570 57.631 58.200 0.003 0.000 0.980 270 S CB 1.625 64.824 63.200 -0.001 0.000 1.048 270 S HN 1.156 nan 8.310 nan 0.000 0.483 271 C N 0.079 119.411 119.300 0.053 0.000 3.284 271 C HA 0.860 5.321 4.460 0.003 0.000 0.348 271 C C 0.214 175.334 174.990 0.217 0.000 1.448 271 C CA -0.869 58.204 59.018 0.093 0.000 1.223 271 C CB 0.601 28.393 27.740 0.087 0.000 1.588 271 C HN 0.874 nan 8.230 nan 0.000 0.451 272 T N -0.506 114.199 114.554 0.252 0.000 2.868 272 T HA 0.548 4.900 4.350 0.003 0.000 0.292 272 T C 1.230 176.091 174.700 0.269 0.000 1.028 272 T CA 0.354 62.609 62.100 0.258 0.000 1.059 272 T CB 1.139 70.122 68.868 0.192 0.000 0.991 272 T HN 1.992 nan 8.240 nan 0.000 0.531 273 A N 1.573 124.567 122.820 0.289 0.000 1.902 273 A HA -0.050 4.271 4.320 0.003 0.000 0.217 273 A C 2.415 180.108 177.584 0.180 0.000 1.181 273 A CA 1.768 53.938 52.037 0.223 0.000 0.623 273 A CB -0.901 18.253 19.000 0.257 0.000 0.818 273 A HN 0.860 nan 8.150 nan 0.000 0.443 274 R N 0.362 120.976 120.500 0.190 0.000 2.081 274 R HA -0.125 4.216 4.340 0.003 0.000 0.235 274 R C 1.318 177.679 176.300 0.101 0.000 1.131 274 R CA 2.086 58.263 56.100 0.129 0.000 0.960 274 R CB -0.647 29.722 30.300 0.115 0.000 0.856 274 R HN 0.481 nan 8.270 nan 0.000 0.436 275 D N -0.214 120.271 120.400 0.142 0.000 2.149 275 D HA -0.122 4.520 4.640 0.003 0.000 0.201 275 D C 1.745 178.124 176.300 0.131 0.000 0.972 275 D CA 0.900 54.964 54.000 0.107 0.000 0.835 275 D CB -0.240 40.724 40.800 0.272 0.000 0.966 275 D HN 0.171 nan 8.370 nan 0.000 0.476 276 L N 1.065 122.438 121.223 0.251 0.000 2.083 276 L HA -0.084 4.258 4.340 0.003 0.000 0.209 276 L C 2.066 179.029 176.870 0.155 0.000 1.083 276 L CA 1.556 56.546 54.840 0.250 0.000 0.752 276 L CB -0.687 41.505 42.059 0.222 0.000 0.899 276 L HN -0.039 nan 8.230 nan 0.000 0.433 277 A N -0.484 122.402 122.820 0.110 0.000 2.019 277 A HA -0.219 4.102 4.320 0.003 0.000 0.219 277 A C 2.349 179.967 177.584 0.056 0.000 1.164 277 A CA 1.648 53.733 52.037 0.080 0.000 0.644 277 A CB -0.559 18.471 19.000 0.050 0.000 0.805 277 A HN 0.541 nan 8.150 nan 0.000 0.449 278 R N -0.694 119.815 120.500 0.014 0.000 2.152 278 R HA -0.061 4.281 4.340 0.003 0.000 0.232 278 R C 1.873 178.167 176.300 -0.010 0.000 1.117 278 R CA 1.275 57.353 56.100 -0.036 0.000 0.981 278 R CB -0.480 29.738 30.300 -0.136 0.000 0.870 278 R HN 0.416 nan 8.270 nan 0.000 0.451 279 V N 0.165 120.105 119.914 0.044 0.000 2.358 279 V HA -0.136 3.985 4.120 0.003 0.000 0.246 279 V C 2.398 178.595 176.094 0.171 0.000 1.047 279 V CA 2.107 64.482 62.300 0.126 0.000 1.035 279 V CB -0.854 31.101 31.823 0.219 0.000 0.658 279 V HN 0.510 nan 8.190 nan 0.000 0.452 280 G N -0.031 108.874 108.800 0.175 0.000 2.422 280 G HA2 -0.305 3.657 3.960 0.003 0.000 0.218 280 G HA3 -0.305 3.657 3.960 0.003 0.000 0.218 280 G C 1.668 176.613 174.900 0.075 0.000 1.146 280 G CA 0.934 46.129 45.100 0.159 0.000 0.769 280 G HN 0.406 nan 8.290 nan 0.000 0.547 281 R N 0.071 120.603 120.500 0.053 0.000 2.091 281 R HA 0.008 4.349 4.340 0.003 0.000 0.238 281 R C 2.419 178.728 176.300 0.016 0.000 1.136 281 R CA 1.515 57.629 56.100 0.023 0.000 0.959 281 R CB -0.561 29.745 30.300 0.010 0.000 0.856 281 R HN 0.341 nan 8.270 nan 0.000 0.437 282 M N -0.632 118.983 119.600 0.025 0.000 2.117 282 M HA -0.161 4.321 4.480 0.003 0.000 0.262 282 M C 1.455 177.770 176.300 0.025 0.000 1.065 282 M CA 1.745 57.059 55.300 0.024 0.000 1.114 282 M CB -0.237 32.385 32.600 0.037 0.000 1.361 282 M HN 0.210 nan 8.290 nan 0.000 0.408 283 M N 0.334 119.952 119.600 0.030 0.000 2.117 283 M HA -0.134 4.348 4.480 0.003 0.000 0.262 283 M C 2.114 178.380 176.300 -0.057 0.000 1.065 283 M CA 1.345 56.627 55.300 -0.029 0.000 1.114 283 M CB -1.272 31.260 32.600 -0.113 0.000 1.361 283 M HN 0.334 nan 8.290 nan 0.000 0.408 284 L N -0.530 120.668 121.223 -0.042 0.000 2.552 284 L HA -0.102 4.240 4.340 0.003 0.000 0.227 284 L C 0.516 177.370 176.870 -0.026 0.000 1.146 284 L CA 0.350 55.164 54.840 -0.043 0.000 0.858 284 L CB -0.419 41.623 42.059 -0.029 0.000 0.969 284 L HN 0.173 nan 8.230 nan 0.000 0.451 285 D N 0.360 120.751 120.400 -0.014 0.000 2.491 285 D HA 0.173 4.814 4.640 0.003 0.000 0.228 285 D C 1.408 177.705 176.300 -0.005 0.000 1.183 285 D CA 0.480 54.475 54.000 -0.008 0.000 0.827 285 D CB 0.607 41.404 40.800 -0.004 0.000 0.989 285 D HN 0.256 nan 8.370 nan 0.000 0.494 286 G N 0.465 109.259 108.800 -0.010 0.000 2.153 286 G HA2 -0.235 3.727 3.960 0.003 0.000 0.252 286 G HA3 -0.235 3.727 3.960 0.003 0.000 0.252 286 G C 1.097 176.008 174.900 0.019 0.000 0.994 286 G CA 0.353 45.452 45.100 -0.001 0.000 0.698 286 G HN 0.828 nan 8.290 nan 0.000 0.521 287 G N -3.091 105.723 108.800 0.024 0.000 2.179 287 G HA2 0.053 4.015 3.960 0.003 0.000 0.220 287 G HA3 0.053 4.015 3.960 0.003 0.000 0.220 287 G C 0.257 175.172 174.900 0.025 0.000 0.990 287 G CA 0.351 45.475 45.100 0.040 0.000 0.646 287 G HN 1.597 nan 8.290 nan 0.000 0.517 288 V N 0.981 120.903 119.914 0.014 0.000 2.472 288 V HA 0.848 4.970 4.120 0.003 0.000 0.290 288 V C 0.666 176.759 176.094 -0.003 0.000 1.037 288 V CA 0.071 62.373 62.300 0.004 0.000 0.908 288 V CB 1.434 33.257 31.823 0.001 0.000 0.985 288 V HN 1.119 nan 8.190 nan 0.000 0.454 289 A N 5.510 128.323 122.820 -0.011 0.000 2.346 289 A HA 0.855 5.177 4.320 0.003 0.000 0.313 289 A C -2.043 175.521 177.584 -0.032 0.000 1.140 289 A CA -1.711 50.310 52.037 -0.027 0.000 0.826 289 A CB 1.190 20.166 19.000 -0.040 0.000 1.332 289 A HN 0.603 nan 8.150 nan 0.000 0.457 290 P HA -0.085 nan 4.420 nan 0.000 0.217 290 P C 1.245 178.522 177.300 -0.038 0.000 1.148 290 P CA 1.957 65.033 63.100 -0.040 0.000 0.828 290 P CB 0.189 31.859 31.700 -0.049 0.000 0.783 291 G N -2.056 106.716 108.800 -0.046 0.000 2.985 291 G HA2 0.436 4.398 3.960 0.003 0.000 0.209 291 G HA3 0.436 4.398 3.960 0.003 0.000 0.209 291 G C 0.536 175.415 174.900 -0.034 0.000 1.165 291 G CA 0.418 45.493 45.100 -0.042 0.000 0.776 291 G HN 0.600 nan 8.290 nan 0.000 0.541 292 G N -0.708 108.075 108.800 -0.027 0.000 2.353 292 G HA2 0.108 4.070 3.960 0.003 0.000 0.424 292 G HA3 0.108 4.070 3.960 0.003 0.000 0.424 292 G C -0.711 174.182 174.900 -0.012 0.000 1.320 292 G CA -0.768 44.320 45.100 -0.019 0.000 0.995 292 G HN 0.433 nan 8.290 nan 0.000 0.580 293 R N -0.348 120.149 120.500 -0.004 0.000 2.489 293 R HA 0.473 4.815 4.340 0.003 0.000 0.287 293 R C 0.894 177.200 176.300 0.009 0.000 1.053 293 R CA 0.205 56.307 56.100 0.004 0.000 1.036 293 R CB 0.853 31.158 30.300 0.007 0.000 0.966 293 R HN 0.384 nan 8.270 nan 0.000 0.432 294 V N 4.871 124.793 119.914 0.013 0.000 2.521 294 V HA 0.043 4.165 4.120 0.003 0.000 0.239 294 V C 0.425 176.514 176.094 -0.008 0.000 1.053 294 V CA 1.076 63.389 62.300 0.022 0.000 1.073 294 V CB 0.591 32.434 31.823 0.034 0.000 0.746 294 V HN 0.711 nan 8.190 nan 0.000 0.476 295 V N -2.266 117.638 119.914 -0.017 0.000 3.141 295 V HA 0.781 4.903 4.120 0.003 0.000 0.312 295 V C -0.164 175.938 176.094 0.013 0.000 1.157 295 V CA -0.518 61.740 62.300 -0.071 0.000 1.041 295 V CB 1.607 33.341 31.823 -0.148 0.000 1.071 295 V HN 0.317 nan 8.190 nan 0.000 0.441 296 S N 0.224 115.950 115.700 0.043 0.000 2.600 296 S HA 0.268 4.740 4.470 0.003 0.000 0.265 296 S C 0.794 175.461 174.600 0.112 0.000 1.325 296 S CA 0.035 58.284 58.200 0.080 0.000 1.002 296 S CB 0.793 64.051 63.200 0.097 0.000 0.921 296 S HN 0.832 nan 8.310 nan 0.000 0.554 297 E N 1.029 121.272 120.200 0.072 0.000 2.118 297 E HA -0.210 4.142 4.350 0.003 0.000 0.195 297 E C 1.465 178.103 176.600 0.063 0.000 0.992 297 E CA 1.756 58.188 56.400 0.053 0.000 0.804 297 E CB -0.501 29.216 29.700 0.029 0.000 0.741 297 E HN 0.925 nan 8.360 nan 0.000 0.458 298 D N 0.138 120.587 120.400 0.082 0.000 2.117 298 D HA -0.170 4.471 4.640 0.003 0.000 0.197 298 D C 1.684 178.040 176.300 0.092 0.000 0.987 298 D CA 0.951 54.992 54.000 0.069 0.000 0.829 298 D CB -0.148 40.699 40.800 0.077 0.000 0.961 298 D HN 0.242 nan 8.370 nan 0.000 0.460 299 W N 0.775 122.059 121.300 -0.028 0.000 2.355 299 W HA -0.189 4.473 4.660 0.002 0.000 0.309 299 W C 1.749 178.228 176.519 -0.067 0.000 1.206 299 W CA 1.037 58.364 57.345 -0.031 0.000 1.284 299 W CB -0.452 29.002 29.460 -0.009 0.000 1.145 299 W HN -0.094 nan 8.180 nan 0.000 0.502 300 V N 1.260 121.264 119.914 0.149 0.000 2.343 300 V HA -0.295 3.826 4.120 0.003 0.000 0.247 300 V C 2.642 178.653 176.094 -0.139 0.000 1.051 300 V CA 2.310 64.597 62.300 -0.023 0.000 1.036 300 V CB -1.023 30.800 31.823 0.000 0.000 0.654 300 V HN 0.149 nan 8.190 nan 0.000 0.451 301 R N -0.044 120.402 120.500 -0.090 0.000 2.081 301 R HA -0.160 4.181 4.340 0.003 0.000 0.235 301 R C 2.556 178.763 176.300 -0.155 0.000 1.131 301 R CA 1.610 57.646 56.100 -0.107 0.000 0.960 301 R CB -0.145 30.118 30.300 -0.063 0.000 0.856 301 R HN 0.449 nan 8.270 nan 0.000 0.436 302 R N -0.363 120.020 120.500 -0.195 0.000 2.092 302 R HA -0.068 4.274 4.340 0.003 0.000 0.231 302 R C 2.296 178.412 176.300 -0.306 0.000 1.119 302 R CA 1.349 57.301 56.100 -0.247 0.000 0.970 302 R CB -0.245 29.867 30.300 -0.314 0.000 0.864 302 R HN 0.094 nan 8.270 nan 0.000 0.440 303 V N 1.661 121.335 119.914 -0.400 0.000 2.287 303 V HA -0.244 3.877 4.120 0.003 0.000 0.248 303 V C 2.280 178.164 176.094 -0.349 0.000 1.053 303 V CA 1.729 63.770 62.300 -0.432 0.000 1.027 303 V CB -0.395 31.060 31.823 -0.612 0.000 0.646 303 V HN 0.297 nan 8.190 nan 0.000 0.447 304 L N -0.068 120.969 121.223 -0.309 0.000 2.201 304 L HA -0.108 4.233 4.340 0.003 0.000 0.212 304 L C 2.594 179.363 176.870 -0.168 0.000 1.105 304 L CA 1.281 55.974 54.840 -0.244 0.000 0.775 304 L CB -0.682 41.253 42.059 -0.207 0.000 0.913 304 L HN 0.367 nan 8.230 nan 0.000 0.440 305 A N -0.302 122.429 122.820 -0.148 0.000 2.014 305 A HA 0.312 4.634 4.320 0.003 0.000 0.218 305 A C 1.299 178.850 177.584 -0.055 0.000 1.163 305 A CA 0.999 52.981 52.037 -0.091 0.000 0.652 305 A CB -0.437 18.509 19.000 -0.090 0.000 0.808 305 A HN 0.479 nan 8.150 nan 0.000 0.449 306 G N -3.010 105.737 108.800 -0.089 0.000 2.661 306 G HA2 0.400 4.361 3.960 0.003 0.000 0.685 306 G HA3 0.400 4.361 3.960 0.003 0.000 0.685 306 G C 0.210 175.097 174.900 -0.023 0.000 1.298 306 G CA -0.355 44.720 45.100 -0.042 0.000 0.855 306 G HN 1.282 nan 8.290 nan 0.000 0.560 307 G N -1.109 107.700 108.800 0.015 0.000 2.568 307 G HA2 0.708 4.669 3.960 0.003 0.000 0.293 307 G HA3 0.708 4.669 3.960 0.003 0.000 0.293 307 G C 0.596 175.571 174.900 0.124 0.000 1.347 307 G CA 0.879 46.001 45.100 0.037 0.000 1.039 307 G HN 1.868 nan 8.290 nan 0.000 0.523 308 S N -1.311 114.445 115.700 0.095 0.000 2.516 308 S HA 0.055 4.526 4.470 0.003 0.000 0.282 308 S C 1.220 175.945 174.600 0.209 0.000 1.286 308 S CA -0.238 58.026 58.200 0.107 0.000 1.066 308 S CB -0.178 63.059 63.200 0.062 0.000 0.884 308 S HN 0.570 nan 8.310 nan 0.000 0.491 309 H N 3.054 122.141 119.070 0.028 0.000 2.423 309 H HA -0.059 4.498 4.556 0.003 0.000 0.297 309 H C 1.479 176.840 175.328 0.055 0.000 1.075 309 H CA 1.339 57.415 56.048 0.046 0.000 1.342 309 H CB 0.288 30.076 29.762 0.043 0.000 1.395 309 H HN 0.618 nan 8.280 nan 0.000 0.530 310 E N 0.885 121.189 120.200 0.173 0.000 2.268 310 E HA -0.056 4.295 4.350 0.003 0.000 0.195 310 E C 2.210 178.876 176.600 0.111 0.000 0.995 310 E CA 0.700 57.171 56.400 0.117 0.000 0.836 310 E CB -0.012 29.733 29.700 0.076 0.000 0.763 310 E HN 0.424 nan 8.360 nan 0.000 0.491 311 A N 0.361 123.251 122.820 0.116 0.000 2.015 311 A HA -0.038 4.284 4.320 0.003 0.000 0.219 311 A C 1.354 179.036 177.584 0.162 0.000 1.163 311 A CA 0.525 52.639 52.037 0.128 0.000 0.646 311 A CB -0.308 18.767 19.000 0.126 0.000 0.806 311 A HN 0.241 nan 8.150 nan 0.000 0.448 312 M N 2.301 121.974 119.600 0.122 0.000 2.383 312 M HA 0.197 4.678 4.480 0.003 0.000 0.337 312 M C 0.725 177.119 176.300 0.157 0.000 1.422 312 M CA 0.549 55.902 55.300 0.087 0.000 1.333 312 M CB -0.023 32.593 32.600 0.026 0.000 1.488 312 M HN 0.234 nan 8.290 nan 0.000 0.454 313 T N -0.748 113.933 114.554 0.211 0.000 3.129 313 T HA 0.193 4.544 4.350 0.003 0.000 0.267 313 T C 0.300 175.132 174.700 0.219 0.000 1.018 313 T CA -0.517 61.695 62.100 0.186 0.000 0.903 313 T CB -0.332 68.627 68.868 0.152 0.000 1.067 313 T HN 0.547 nan 8.240 nan 0.000 0.549 314 D N 2.263 122.844 120.400 0.302 0.000 2.346 314 D HA 0.131 4.772 4.640 0.003 0.000 0.267 314 D C 1.037 177.496 176.300 0.266 0.000 1.320 314 D CA 0.043 54.242 54.000 0.332 0.000 0.951 314 D CB 0.898 41.989 40.800 0.486 0.000 1.079 314 D HN 0.298 nan 8.370 nan 0.000 0.509 315 K N 2.222 122.734 120.400 0.187 0.000 2.147 315 K HA -0.102 4.219 4.320 0.003 0.000 0.205 315 K C 1.929 178.602 176.600 0.122 0.000 1.049 315 K CA 1.038 57.404 56.287 0.132 0.000 0.936 315 K CB 0.027 32.583 32.500 0.094 0.000 0.722 315 K HN 0.493 nan 8.250 nan 0.000 0.446 316 G N 1.015 109.903 108.800 0.148 0.000 2.446 316 G HA2 -0.274 3.688 3.960 0.003 0.000 0.217 316 G HA3 -0.274 3.688 3.960 0.003 0.000 0.217 316 G C 1.305 176.285 174.900 0.133 0.000 1.168 316 G CA 0.520 45.686 45.100 0.111 0.000 0.771 316 G HN 0.218 nan 8.290 nan 0.000 0.551 317 F N 2.394 122.387 119.950 0.071 0.000 2.128 317 F HA -0.027 4.502 4.527 0.003 0.000 0.295 317 F C 3.032 178.921 175.800 0.147 0.000 1.100 317 F CA 2.077 60.154 58.000 0.129 0.000 1.260 317 F CB -0.567 38.588 39.000 0.259 0.000 1.009 317 F HN 0.212 nan 8.300 nan 0.000 0.476 318 T N -2.281 112.361 114.554 0.147 0.000 3.055 318 T HA -0.077 4.274 4.350 0.003 0.000 0.265 318 T C 1.709 176.373 174.700 -0.059 0.000 1.111 318 T CA 0.945 63.061 62.100 0.027 0.000 1.118 318 T CB -0.536 68.394 68.868 0.104 0.000 0.909 318 T HN 0.133 nan 8.240 nan 0.000 0.501 319 N N 1.446 120.109 118.700 -0.062 0.000 2.223 319 N HA -0.038 4.703 4.740 0.003 0.000 0.185 319 N C 1.842 177.228 175.510 -0.208 0.000 1.016 319 N CA 1.630 54.621 53.050 -0.097 0.000 0.863 319 N CB -0.552 37.895 38.487 -0.067 0.000 0.983 319 N HN 0.505 nan 8.380 nan 0.000 0.429 320 T N -0.708 113.624 114.554 -0.370 0.000 3.010 320 T HA 0.154 4.505 4.350 0.003 0.000 0.252 320 T C -0.015 174.173 174.700 -0.854 0.000 1.047 320 T CA 0.522 62.206 62.100 -0.692 0.000 1.140 320 T CB 0.095 68.342 68.868 -1.034 0.000 0.885 320 T HN 0.029 nan 8.240 nan 0.000 0.464 321 F N 2.010 121.758 119.950 -0.337 0.000 2.453 321 F HA 0.369 4.897 4.527 0.002 0.000 0.358 321 F C -1.860 173.786 175.800 -0.256 0.000 1.129 321 F CA -3.068 54.719 58.000 -0.355 0.000 1.200 321 F CB 1.300 39.903 39.000 -0.662 0.000 1.431 321 F HN -0.082 nan 8.300 nan 0.000 0.503 322 P HA -0.186 nan 4.420 nan 0.000 0.217 322 P C 0.354 177.653 177.300 -0.001 0.000 1.148 322 P CA 1.618 64.714 63.100 -0.007 0.000 0.828 322 P CB 0.457 32.155 31.700 -0.003 0.000 0.783 323 D N -0.509 119.875 120.400 -0.027 0.000 2.427 323 D HA 0.179 4.821 4.640 0.003 0.000 0.224 323 D C 1.224 177.308 176.300 -0.359 0.000 1.157 323 D CA 0.037 53.956 54.000 -0.136 0.000 0.828 323 D CB 0.151 40.935 40.800 -0.027 0.000 0.974 323 D HN 0.117 nan 8.370 nan 0.000 0.498 324 G N 0.530 109.247 108.800 -0.139 0.000 2.599 324 G HA2 0.453 4.414 3.960 0.003 0.000 0.264 324 G HA3 0.453 4.414 3.960 0.003 0.000 0.264 324 G C 0.212 175.131 174.900 0.032 0.000 1.200 324 G CA -0.050 45.055 45.100 0.008 0.000 0.896 324 G HN 0.202 nan 8.290 nan 0.000 0.536 325 S N -1.556 114.246 115.700 0.170 0.000 2.724 325 S HA 0.604 5.075 4.470 0.003 0.000 0.278 325 S C -1.667 172.908 174.600 -0.042 0.000 1.190 325 S CA -0.887 57.329 58.200 0.026 0.000 0.860 325 S CB 1.451 64.666 63.200 0.025 0.000 1.206 325 S HN 1.143 nan 8.310 nan 0.000 0.507 326 Y N 0.162 120.281 120.300 -0.302 0.000 2.441 326 Y HA 0.654 5.205 4.550 0.003 0.000 0.334 326 Y C -0.910 174.877 175.900 -0.188 0.000 1.061 326 Y CA -0.010 57.853 58.100 -0.396 0.000 1.032 326 Y CB 2.184 40.156 38.460 -0.814 0.000 1.266 326 Y HN 1.112 nan 8.280 nan 0.000 0.441 327 T N 5.536 119.885 114.554 -0.341 0.000 2.982 327 T HA 0.402 4.754 4.350 0.003 0.000 0.321 327 T C -0.870 173.678 174.700 -0.253 0.000 1.229 327 T CA -0.570 61.421 62.100 -0.182 0.000 1.044 327 T CB 0.929 69.704 68.868 -0.154 0.000 1.184 327 T HN 0.840 nan 8.240 nan 0.000 0.477 328 R N 3.259 123.693 120.500 -0.111 0.000 3.416 328 R HA -0.161 4.181 4.340 0.003 0.000 0.263 328 R C 0.072 176.426 176.300 0.091 0.000 1.053 328 R CA 0.870 56.963 56.100 -0.012 0.000 0.705 328 R CB -1.516 28.636 30.300 -0.248 0.000 1.124 328 R HN 0.796 nan 8.270 nan 0.000 0.444 329 Q N -4.455 115.275 119.800 -0.117 0.000 2.493 329 Q HA -0.235 4.107 4.340 0.003 0.000 0.260 329 Q C -0.851 174.853 176.000 -0.493 0.000 0.905 329 Q CA 2.005 57.695 55.803 -0.189 0.000 1.140 329 Q CB -1.605 27.116 28.738 -0.028 0.000 1.435 329 Q HN 0.599 nan 8.270 nan 0.000 0.581 330 W N -0.257 120.608 121.300 -0.725 0.000 2.736 330 W HA 0.572 5.233 4.660 0.003 0.000 0.335 330 W C -0.164 175.886 176.519 -0.782 0.000 1.059 330 W CA -0.609 56.441 57.345 -0.493 0.000 1.226 330 W CB 0.674 29.976 29.460 -0.263 0.000 1.416 330 W HN 0.043 nan 8.180 nan 0.000 0.505 331 W N 2.055 123.289 121.300 -0.111 0.000 2.316 331 W HA 0.488 5.150 4.660 0.002 0.000 0.311 331 W C -0.632 175.862 176.519 -0.042 0.000 1.217 331 W CA -0.321 56.951 57.345 -0.121 0.000 1.199 331 W CB 0.787 30.198 29.460 -0.083 0.000 1.202 331 W HN -0.008 nan 8.180 nan 0.000 0.528 332 C N 2.714 122.118 119.300 0.174 0.000 2.301 332 C HA 0.241 4.703 4.460 0.003 0.000 0.323 332 C C 1.769 176.818 174.990 0.098 0.000 1.265 332 C CA -0.527 58.523 59.018 0.054 0.000 1.503 332 C CB 0.382 28.103 27.740 -0.032 0.000 2.195 332 C HN 0.869 nan 8.230 nan 0.000 0.477 333 T N -0.654 113.789 114.554 -0.184 0.000 2.904 333 T HA 0.084 4.435 4.350 0.003 0.000 0.267 333 T C 1.682 176.245 174.700 -0.228 0.000 1.059 333 T CA 1.344 63.120 62.100 -0.540 0.000 1.137 333 T CB -0.357 67.956 68.868 -0.925 0.000 0.879 333 T HN 1.747 nan 8.240 nan 0.000 0.467 334 G N 2.781 111.493 108.800 -0.146 0.000 2.203 334 G HA2 -0.326 3.635 3.960 0.003 0.000 0.263 334 G HA3 -0.326 3.635 3.960 0.003 0.000 0.263 334 G C 0.018 174.902 174.900 -0.027 0.000 1.012 334 G CA 0.396 45.443 45.100 -0.088 0.000 0.749 334 G HN 1.074 nan 8.290 nan 0.000 0.512 335 N N -0.036 118.651 118.700 -0.020 0.000 2.364 335 N HA 0.284 5.025 4.740 0.003 0.000 0.264 335 N C 1.436 176.966 175.510 0.033 0.000 1.263 335 N CA -0.010 53.075 53.050 0.058 0.000 0.959 335 N CB 0.122 38.697 38.487 0.147 0.000 1.204 335 N HN 0.529 nan 8.380 nan 0.000 0.550 336 E N -0.779 119.453 120.200 0.053 0.000 2.338 336 E HA -0.156 4.195 4.350 0.003 0.000 0.197 336 E C 0.876 177.493 176.600 0.028 0.000 1.007 336 E CA 0.821 57.244 56.400 0.038 0.000 0.849 336 E CB -0.186 29.541 29.700 0.045 0.000 0.774 336 E HN 0.540 nan 8.360 nan 0.000 0.506 337 R N -0.001 120.517 120.500 0.031 0.000 2.312 337 R HA 0.128 4.469 4.340 0.003 0.000 0.205 337 R C 1.100 177.378 176.300 -0.037 0.000 0.904 337 R CA 0.432 56.542 56.100 0.017 0.000 1.052 337 R CB 0.473 30.810 30.300 0.061 0.000 1.014 337 R HN 0.325 nan 8.270 nan 0.000 0.503 338 G N 2.029 110.793 108.800 -0.060 0.000 2.198 338 G HA2 -0.320 3.641 3.960 0.003 0.000 0.260 338 G HA3 -0.320 3.641 3.960 0.003 0.000 0.260 338 G C -0.493 174.286 174.900 -0.201 0.000 1.025 338 G CA 0.145 45.179 45.100 -0.109 0.000 0.769 338 G HN 0.406 nan 8.290 nan 0.000 0.507 339 N N -0.907 117.631 118.700 -0.271 0.000 2.454 339 N HA 0.404 5.145 4.740 0.003 0.000 0.254 339 N C 0.081 175.265 175.510 -0.544 0.000 1.228 339 N CA 0.427 53.149 53.050 -0.547 0.000 0.900 339 N CB 1.128 39.112 38.487 -0.838 0.000 1.089 339 N HN 0.179 nan 8.380 nan 0.000 0.449 340 V N 0.552 120.137 119.914 -0.549 0.000 2.876 340 V HA 0.651 4.772 4.120 0.003 0.000 0.312 340 V C -0.458 175.531 176.094 -0.175 0.000 1.085 340 V CA -0.671 61.450 62.300 -0.298 0.000 0.945 340 V CB 2.064 33.732 31.823 -0.259 0.000 1.017 340 V HN 0.644 nan 8.190 nan 0.000 0.428 341 S N 1.144 116.956 115.700 0.187 0.000 2.536 341 S HA 0.716 5.188 4.470 0.003 0.000 0.271 341 S C -0.207 174.689 174.600 0.493 0.000 1.134 341 S CA -0.020 58.407 58.200 0.379 0.000 0.897 341 S CB 1.711 65.128 63.200 0.362 0.000 1.094 341 S HN 1.281 nan 8.310 nan 0.000 0.473 342 G N 2.737 111.712 108.800 0.291 0.000 2.432 342 G HA2 0.602 4.564 3.960 0.003 0.000 0.257 342 G HA3 0.602 4.564 3.960 0.003 0.000 0.257 342 G C -0.762 174.248 174.900 0.183 0.000 1.238 342 G CA -0.303 44.813 45.100 0.027 0.000 0.838 342 G HN 0.720 nan 8.290 nan 0.000 0.547 343 I N 0.946 121.648 120.570 0.219 0.000 2.619 343 I HA 0.570 4.741 4.170 0.003 0.000 0.292 343 I C 0.363 176.552 176.117 0.119 0.000 1.100 343 I CA -0.806 60.565 61.300 0.117 0.000 1.043 343 I CB 2.628 40.568 38.000 -0.100 0.000 1.239 343 I HN 0.651 nan 8.210 nan 0.000 0.420 344 G N 5.378 114.194 108.800 0.025 0.000 2.563 344 G HA2 0.701 4.662 3.960 0.003 0.000 0.302 344 G HA3 0.701 4.662 3.960 0.003 0.000 0.302 344 G C -0.490 174.334 174.900 -0.128 0.000 1.301 344 G CA -0.844 44.261 45.100 0.007 0.000 0.965 344 G HN 0.713 nan 8.290 nan 0.000 0.480 345 I N -1.098 119.391 120.570 -0.135 0.000 3.045 345 I HA 0.161 4.332 4.170 0.003 0.000 0.288 345 I C 0.770 176.697 176.117 -0.318 0.000 1.238 345 I CA -0.018 61.122 61.300 -0.268 0.000 1.396 345 I CB 0.136 37.915 38.000 -0.369 0.000 1.355 345 I HN 0.815 nan 8.210 nan 0.000 0.601 346 H N 2.381 121.101 119.070 -0.583 0.000 3.080 346 H HA -0.150 4.407 4.556 0.002 0.000 0.254 346 H C 1.011 175.336 175.328 -1.672 0.000 1.179 346 H CA 0.915 56.480 56.048 -0.805 0.000 1.144 346 H CB -1.768 27.764 29.762 -0.383 0.000 1.261 346 H HN 1.432 nan 8.280 nan 0.000 0.333 347 G N 0.595 108.207 108.800 -1.981 0.000 2.215 347 G HA2 -0.202 3.759 3.960 0.003 0.000 0.198 347 G HA3 -0.202 3.759 3.960 0.003 0.000 0.198 347 G C -0.268 174.262 174.900 -0.618 0.000 1.047 347 G CA 0.048 44.129 45.100 -1.699 0.000 0.747 347 G HN 0.318 nan 8.290 nan 0.000 0.495 348 Q N 0.175 119.734 119.800 -0.402 0.000 2.290 348 Q HA 0.623 4.965 4.340 0.003 0.000 0.259 348 Q C -0.198 175.770 176.000 -0.053 0.000 0.941 348 Q CA -0.396 55.303 55.803 -0.173 0.000 0.912 348 Q CB 1.393 30.078 28.738 -0.088 0.000 1.244 348 Q HN 0.472 nan 8.270 nan 0.000 0.441 349 N N 1.386 120.098 118.700 0.021 0.000 2.310 349 N HA 0.420 5.161 4.740 0.003 0.000 0.292 349 N C -1.521 174.091 175.510 0.170 0.000 1.049 349 N CA -0.653 52.483 53.050 0.143 0.000 0.849 349 N CB 1.733 40.349 38.487 0.216 0.000 1.532 349 N HN 0.321 nan 8.380 nan 0.000 0.479 350 L N 2.893 124.248 121.223 0.219 0.000 2.297 350 L HA 0.486 4.828 4.340 0.003 0.000 0.277 350 L C -1.443 175.674 176.870 0.413 0.000 1.040 350 L CA -0.606 54.394 54.840 0.267 0.000 0.867 350 L CB 0.090 42.277 42.059 0.214 0.000 1.244 350 L HN 0.611 nan 8.230 nan 0.000 0.433 351 W N 7.895 129.295 121.300 0.168 0.000 2.376 351 W HA 0.455 5.116 4.660 0.002 0.000 0.312 351 W C -1.793 174.803 176.519 0.128 0.000 1.060 351 W CA -0.930 56.512 57.345 0.162 0.000 1.221 351 W CB 1.396 30.931 29.460 0.126 0.000 1.281 351 W HN 0.347 nan 8.180 nan 0.000 0.456 352 L N 5.817 126.968 121.223 -0.120 0.000 2.295 352 L HA 0.204 4.545 4.340 0.003 0.000 0.285 352 L C -0.357 176.353 176.870 -0.266 0.000 1.035 352 L CA -0.250 54.513 54.840 -0.128 0.000 0.806 352 L CB 1.330 43.283 42.059 -0.176 0.000 1.214 352 L HN 0.348 nan 8.230 nan 0.000 0.426 353 D N 4.396 124.771 120.400 -0.042 0.000 2.456 353 D HA 0.253 4.894 4.640 0.003 0.000 0.287 353 D C -1.503 174.791 176.300 -0.009 0.000 1.186 353 D CA -1.701 52.301 54.000 0.003 0.000 0.916 353 D CB 1.238 42.146 40.800 0.179 0.000 1.029 353 D HN 0.172 nan 8.370 nan 0.000 0.498 354 P HA -0.183 nan 4.420 nan 0.000 0.217 354 P C 1.782 179.071 177.300 -0.019 0.000 1.148 354 P CA 0.693 63.764 63.100 -0.049 0.000 0.828 354 P CB 0.489 32.141 31.700 -0.081 0.000 0.783 355 L N -0.214 121.004 121.223 -0.007 0.000 2.043 355 L HA -0.144 4.197 4.340 0.003 0.000 0.212 355 L C 2.274 179.155 176.870 0.018 0.000 1.075 355 L CA 2.457 57.302 54.840 0.008 0.000 0.752 355 L CB -1.324 40.749 42.059 0.022 0.000 0.891 355 L HN 0.184 nan 8.230 nan 0.000 0.432 356 T N -5.691 108.882 114.554 0.031 0.000 3.092 356 T HA 0.087 4.439 4.350 0.003 0.000 0.258 356 T C 0.588 175.306 174.700 0.029 0.000 1.031 356 T CA 0.138 62.260 62.100 0.036 0.000 0.925 356 T CB 0.138 69.039 68.868 0.054 0.000 1.036 356 T HN 0.251 nan 8.240 nan 0.000 0.544 357 D N 0.536 120.947 120.400 0.018 0.000 2.772 357 D HA -0.154 4.488 4.640 0.003 0.000 0.233 357 D C -0.687 175.627 176.300 0.023 0.000 1.143 357 D CA 0.562 54.569 54.000 0.012 0.000 0.700 357 D CB -1.461 39.344 40.800 0.009 0.000 1.076 357 D HN 0.546 nan 8.370 nan 0.000 0.430 358 S N -1.199 114.525 115.700 0.040 0.000 2.568 358 S HA 0.796 5.267 4.470 0.003 0.000 0.302 358 S C -0.304 174.345 174.600 0.081 0.000 1.082 358 S CA -0.749 57.486 58.200 0.058 0.000 1.009 358 S CB 2.660 65.904 63.200 0.074 0.000 1.069 358 S HN 0.097 nan 8.310 nan 0.000 0.500 359 V N 2.695 122.657 119.914 0.080 0.000 2.540 359 V HA 0.531 4.653 4.120 0.003 0.000 0.302 359 V C -0.764 175.385 176.094 0.093 0.000 1.035 359 V CA -0.563 61.804 62.300 0.112 0.000 0.873 359 V CB 1.459 33.333 31.823 0.086 0.000 0.992 359 V HN 0.758 nan 8.190 nan 0.000 0.428 360 I N 4.525 125.197 120.570 0.170 0.000 2.362 360 I HA 0.465 4.637 4.170 0.003 0.000 0.289 360 I C -0.608 175.534 176.117 0.042 0.000 0.994 360 I CA -0.791 60.524 61.300 0.026 0.000 1.158 360 I CB 1.975 39.994 38.000 0.032 0.000 1.315 360 I HN 0.263 nan 8.210 nan 0.000 0.451 361 V N 6.759 126.614 119.914 -0.098 0.000 2.394 361 V HA 0.367 4.489 4.120 0.003 0.000 0.282 361 V C -0.066 175.984 176.094 -0.074 0.000 1.031 361 V CA -0.565 61.714 62.300 -0.034 0.000 0.881 361 V CB 1.646 33.460 31.823 -0.015 0.000 0.982 361 V HN 0.624 nan 8.190 nan 0.000 0.451 362 K N 5.514 125.926 120.400 0.020 0.000 2.463 362 K HA 0.683 5.005 4.320 0.003 0.000 0.255 362 K C -1.678 174.875 176.600 -0.079 0.000 0.942 362 K CA -0.574 55.748 56.287 0.059 0.000 0.814 362 K CB 1.350 33.939 32.500 0.149 0.000 1.122 362 K HN 0.606 nan 8.250 nan 0.000 0.425 363 L N 2.956 124.057 121.223 -0.204 0.000 2.356 363 L HA 0.529 4.870 4.340 0.003 0.000 0.277 363 L C -0.666 175.891 176.870 -0.521 0.000 0.996 363 L CA -0.583 53.955 54.840 -0.503 0.000 0.822 363 L CB 2.073 43.650 42.059 -0.803 0.000 1.256 363 L HN 0.659 nan 8.230 nan 0.000 0.413 364 S N 0.227 115.695 115.700 -0.387 0.000 2.720 364 S HA 0.632 5.103 4.470 0.003 0.000 0.287 364 S C -0.600 173.967 174.600 -0.055 0.000 1.168 364 S CA -0.763 57.335 58.200 -0.171 0.000 0.832 364 S CB 2.119 65.197 63.200 -0.204 0.000 1.166 364 S HN 0.578 nan 8.310 nan 0.000 0.493 365 S N 0.181 115.877 115.700 -0.007 0.000 2.359 365 S HA 0.312 4.783 4.470 0.003 0.000 0.148 365 S C -0.893 173.645 174.600 -0.103 0.000 1.610 365 S CA -0.806 57.364 58.200 -0.050 0.000 1.274 365 S CB -0.322 62.874 63.200 -0.006 0.000 1.380 365 S HN 0.584 nan 8.310 nan 0.000 0.380 366 W N 2.428 123.500 121.300 -0.382 0.000 2.274 366 W HA 0.230 4.892 4.660 0.002 0.000 0.345 366 W C -1.946 174.197 176.519 -0.627 0.000 1.265 366 W CA -1.834 54.955 57.345 -0.927 0.000 1.293 366 W CB -0.690 28.098 29.460 -1.120 0.000 1.175 366 W HN 0.292 nan 8.180 nan 0.000 0.577 367 P HA -0.134 nan 4.420 nan 0.000 0.218 367 P C -0.052 177.319 177.300 0.117 0.000 1.149 367 P CA 1.692 64.687 63.100 -0.175 0.000 0.817 367 P CB 0.331 31.949 31.700 -0.137 0.000 0.785 368 D N -1.269 119.221 120.400 0.150 0.000 2.185 368 D HA 0.133 4.775 4.640 0.003 0.000 0.247 368 D C -1.619 174.634 176.300 -0.079 0.000 1.027 368 D CA -1.858 52.260 54.000 0.197 0.000 0.861 368 D CB 1.515 42.548 40.800 0.388 0.000 1.202 368 D HN -0.000 nan 8.370 nan 0.000 0.453 369 P HA -0.101 nan 4.420 nan 0.000 0.216 369 P C 0.075 177.341 177.300 -0.056 0.000 1.153 369 P CA 1.340 64.002 63.100 -0.729 0.000 0.848 369 P CB 0.561 32.076 31.700 -0.308 0.000 0.787 370 D N -0.643 119.907 120.400 0.251 0.000 2.312 370 D HA 0.190 4.831 4.640 0.003 0.000 0.229 370 D C -1.237 175.294 176.300 0.384 0.000 1.337 370 D CA -0.289 53.969 54.000 0.431 0.000 0.964 370 D CB 0.290 41.340 40.800 0.415 0.000 1.456 370 D HN -0.003 nan 8.370 nan 0.000 0.547 371 T N -0.184 114.599 114.554 0.383 0.000 2.906 371 T HA 0.454 4.806 4.350 0.003 0.000 0.295 371 T C 1.044 175.865 174.700 0.201 0.000 1.075 371 T CA -0.710 61.522 62.100 0.221 0.000 1.005 371 T CB 1.855 70.770 68.868 0.077 0.000 1.136 371 T HN 0.114 nan 8.240 nan 0.000 0.498 372 E N 0.009 120.276 120.200 0.112 0.000 2.118 372 E HA -0.248 4.104 4.350 0.003 0.000 0.195 372 E C 1.620 178.201 176.600 -0.033 0.000 0.992 372 E CA 1.673 58.112 56.400 0.066 0.000 0.804 372 E CB -0.313 29.396 29.700 0.015 0.000 0.741 372 E HN 0.846 nan 8.360 nan 0.000 0.458 373 H N -0.290 118.630 119.070 -0.250 0.000 2.290 373 H HA -0.185 4.372 4.556 0.003 0.000 0.298 373 H C 1.658 176.680 175.328 -0.509 0.000 1.087 373 H CA 2.240 58.020 56.048 -0.446 0.000 1.291 373 H CB -0.374 28.969 29.762 -0.698 0.000 1.369 373 H HN 0.214 nan 8.280 nan 0.000 0.492 374 W N -0.210 120.763 121.300 -0.544 0.000 2.381 374 W HA -0.123 4.538 4.660 0.002 0.000 0.301 374 W C 2.713 178.706 176.519 -0.877 0.000 1.205 374 W CA 0.771 57.444 57.345 -1.120 0.000 1.285 374 W CB -0.150 28.018 29.460 -2.154 0.000 1.133 374 W HN 0.351 nan 8.180 nan 0.000 0.521 375 H N 0.066 119.010 119.070 -0.210 0.000 2.387 375 H HA -0.105 4.452 4.556 0.003 0.000 0.299 375 H C 2.186 177.494 175.328 -0.033 0.000 1.090 375 H CA 1.783 57.856 56.048 0.042 0.000 1.332 375 H CB -0.356 29.477 29.762 0.118 0.000 1.386 375 H HN 0.205 nan 8.280 nan 0.000 0.516 376 R N 0.819 121.305 120.500 -0.023 0.000 2.083 376 R HA -0.113 4.229 4.340 0.003 0.000 0.237 376 R C 2.436 178.668 176.300 -0.113 0.000 1.137 376 R CA 1.141 57.186 56.100 -0.092 0.000 0.951 376 R CB -0.235 29.974 30.300 -0.152 0.000 0.851 376 R HN 0.208 nan 8.270 nan 0.000 0.434 377 L N 0.277 121.386 121.223 -0.191 0.000 2.017 377 L HA -0.192 4.150 4.340 0.003 0.000 0.208 377 L C 2.829 179.662 176.870 -0.061 0.000 1.073 377 L CA 1.639 56.386 54.840 -0.155 0.000 0.745 377 L CB -0.491 41.445 42.059 -0.205 0.000 0.894 377 L HN 0.337 nan 8.230 nan 0.000 0.432 378 Q N 0.214 120.019 119.800 0.009 0.000 2.050 378 Q HA -0.191 4.151 4.340 0.003 0.000 0.202 378 Q C 2.047 178.064 176.000 0.028 0.000 0.980 378 Q CA 1.653 57.516 55.803 0.101 0.000 0.840 378 Q CB 0.052 28.994 28.738 0.341 0.000 0.898 378 Q HN 0.365 nan 8.270 nan 0.000 0.424 379 N N -0.395 118.346 118.700 0.069 0.000 2.244 379 N HA -0.093 4.649 4.740 0.003 0.000 0.183 379 N C 1.602 177.086 175.510 -0.043 0.000 1.016 379 N CA 1.254 54.329 53.050 0.042 0.000 0.866 379 N CB -0.543 38.050 38.487 0.176 0.000 0.980 379 N HN 0.442 nan 8.380 nan 0.000 0.430 380 G N 1.228 110.000 108.800 -0.046 0.000 2.418 380 G HA2 -0.168 3.793 3.960 0.003 0.000 0.217 380 G HA3 -0.168 3.793 3.960 0.003 0.000 0.217 380 G C 1.678 176.527 174.900 -0.084 0.000 1.158 380 G CA 0.367 45.431 45.100 -0.060 0.000 0.771 380 G HN 0.265 nan 8.290 nan 0.000 0.545 381 I N 0.261 120.767 120.570 -0.107 0.000 2.202 381 I HA -0.100 4.071 4.170 0.003 0.000 0.242 381 I C 2.699 178.718 176.117 -0.164 0.000 1.091 381 I CA 0.643 61.864 61.300 -0.131 0.000 1.368 381 I CB -0.213 37.698 38.000 -0.148 0.000 1.058 381 I HN 0.119 nan 8.210 nan 0.000 0.410 382 L N 0.127 121.175 121.223 -0.291 0.000 2.046 382 L HA -0.221 4.121 4.340 0.003 0.000 0.208 382 L C 2.502 179.104 176.870 -0.446 0.000 1.077 382 L CA 1.336 55.814 54.840 -0.604 0.000 0.747 382 L CB -0.510 40.757 42.059 -1.319 0.000 0.896 382 L HN 0.267 nan 8.230 nan 0.000 0.432 383 L N -0.723 120.365 121.223 -0.225 0.000 2.072 383 L HA -0.180 4.162 4.340 0.003 0.000 0.205 383 L C 2.208 179.103 176.870 0.041 0.000 1.079 383 L CA 0.914 55.780 54.840 0.043 0.000 0.752 383 L CB -0.524 41.605 42.059 0.117 0.000 0.906 383 L HN 0.228 nan 8.230 nan 0.000 0.436 384 D N -0.342 120.051 120.400 -0.011 0.000 2.117 384 D HA -0.145 4.496 4.640 0.003 0.000 0.197 384 D C 2.325 178.635 176.300 0.017 0.000 0.987 384 D CA 1.070 55.070 54.000 0.000 0.000 0.829 384 D CB -0.138 40.645 40.800 -0.029 0.000 0.961 384 D HN 0.060 nan 8.370 nan 0.000 0.460 385 V N 0.645 120.566 119.914 0.011 0.000 2.358 385 V HA -0.200 3.922 4.120 0.003 0.000 0.246 385 V C 2.457 178.601 176.094 0.084 0.000 1.047 385 V CA 1.536 63.872 62.300 0.060 0.000 1.035 385 V CB -0.487 31.407 31.823 0.119 0.000 0.658 385 V HN 0.135 nan 8.190 nan 0.000 0.452 386 S N -0.255 115.507 115.700 0.104 0.000 2.359 386 S HA -0.220 4.251 4.470 0.003 0.000 0.224 386 S C 2.097 176.774 174.600 0.127 0.000 1.035 386 S CA 1.604 59.910 58.200 0.176 0.000 1.018 386 S CB -0.342 63.050 63.200 0.321 0.000 0.876 386 S HN 0.528 nan 8.310 nan 0.000 0.448 387 R N 1.052 121.615 120.500 0.105 0.000 2.120 387 R HA 0.040 4.382 4.340 0.003 0.000 0.234 387 R C 2.438 178.774 176.300 0.060 0.000 1.123 387 R CA 1.067 57.214 56.100 0.079 0.000 0.975 387 R CB -0.435 29.905 30.300 0.066 0.000 0.866 387 R HN 0.404 nan 8.270 nan 0.000 0.446 388 A N 0.854 123.708 122.820 0.056 0.000 2.125 388 A HA -0.069 4.253 4.320 0.003 0.000 0.219 388 A C 1.906 179.520 177.584 0.050 0.000 1.156 388 A CA 0.962 53.027 52.037 0.047 0.000 0.671 388 A CB -0.265 18.762 19.000 0.044 0.000 0.794 388 A HN 0.194 nan 8.150 nan 0.000 0.459 389 L N -0.441 120.819 121.223 0.061 0.000 2.558 389 L HA 0.063 4.405 4.340 0.003 0.000 0.225 389 L C -0.192 176.708 176.870 0.049 0.000 1.128 389 L CA -0.355 54.519 54.840 0.057 0.000 0.868 389 L CB -0.283 41.817 42.059 0.069 0.000 1.006 389 L HN 0.143 nan 8.230 nan 0.000 0.454 390 D N 1.550 121.979 120.400 0.049 0.000 2.443 390 D HA 0.196 4.838 4.640 0.003 0.000 0.239 390 D C 0.421 176.740 176.300 0.033 0.000 1.136 390 D CA 0.213 54.238 54.000 0.041 0.000 0.879 390 D CB 1.133 41.958 40.800 0.041 0.000 1.195 390 D HN 0.070 nan 8.370 nan 0.000 0.443 391 A N 1.658 124.495 122.820 0.028 0.000 2.498 391 A HA 0.357 4.678 4.320 0.003 0.000 0.239 391 A C 0.137 177.733 177.584 0.021 0.000 1.068 391 A CA -0.103 51.948 52.037 0.023 0.000 0.766 391 A CB 0.571 19.583 19.000 0.019 0.000 1.003 391 A HN 0.359 nan 8.150 nan 0.000 0.497 392 V N 0.000 119.925 119.914 0.019 0.000 2.409 392 V HA 0.000 4.122 4.120 0.003 0.000 0.244 392 V CA 0.000 62.310 62.300 0.017 0.000 1.235 392 V CB 0.000 31.834 31.823 0.017 0.000 1.184 392 V HN 0.000 nan 8.190 nan 0.000 0.556