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 1cpo_1_A DATA FIRST_RESID 1 DATA SEQUENCE EPGSGIGYPY DNNTLPYVAP GPTDSRAPCP ALNALANHGY IPHDGRAISR DATA SEQUENCE ETLQNAFLNH MGIANSVIEL ALTNAFVVcE YVTGSDcGDS LVNLTLLAEP DATA SEQUENCE HAFEHDHSFS RKDYKQGVAN SNDFIDNRNF DAETFQTSLD VVAGKTHFDY DATA SEQUENCE ADMNEIRLQR ESLSNELDFP GWFTESKPIQ NVESGFIFAL VSDFNLPDND DATA SEQUENCE ENPLVRIDWW KYWFTNESFP YHLGWHPPSP AREIEFVTSA SSAVLAASVT DATA SEQUENCE STPSSLPSGA IGPGAEAVPL SFASTMTPFL LATNAPYYAQ DPTLGPND 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.639 176.600 0.064 0.000 1.382 1 E CA 0.000 56.450 56.400 0.083 0.000 0.976 1 E CB 0.000 29.740 29.700 0.067 0.000 0.812 2 P HA 0.072 nan 4.420 nan 0.000 0.271 2 P C 0.615 177.930 177.300 0.025 0.000 1.220 2 P CA 0.771 63.895 63.100 0.041 0.000 0.768 2 P CB 0.602 32.325 31.700 0.039 0.000 0.848 3 G N 2.559 111.365 108.800 0.010 0.000 2.157 3 G HA2 -0.283 3.679 3.960 0.004 0.000 0.239 3 G HA3 -0.283 3.679 3.960 0.004 0.000 0.239 3 G C 0.868 175.772 174.900 0.007 0.000 0.982 3 G CA 0.408 45.507 45.100 -0.002 0.000 0.650 3 G HN 0.655 nan 8.290 nan 0.000 0.527 4 S N -1.047 114.665 115.700 0.020 0.000 2.470 4 S HA 0.426 4.898 4.470 0.004 0.000 0.222 4 S C 2.390 177.006 174.600 0.028 0.000 1.024 4 S CA 1.590 59.812 58.200 0.035 0.000 0.931 4 S CB 0.366 63.601 63.200 0.057 0.000 0.791 4 S HN 2.342 nan 8.310 nan 0.000 0.513 5 G N 1.482 110.287 108.800 0.008 0.000 2.241 5 G HA2 -0.231 3.732 3.960 0.004 0.000 0.244 5 G HA3 -0.231 3.732 3.960 0.004 0.000 0.244 5 G C 0.096 175.009 174.900 0.022 0.000 0.998 5 G CA 0.050 45.153 45.100 0.005 0.000 0.621 5 G HN 0.597 nan 8.290 nan 0.000 0.519 6 I N 1.548 122.113 120.570 -0.008 0.000 2.587 6 I HA 0.390 4.562 4.170 0.004 0.000 0.284 6 I C 1.668 177.618 176.117 -0.279 0.000 1.134 6 I CA 1.534 62.768 61.300 -0.110 0.000 1.410 6 I CB 0.547 38.481 38.000 -0.111 0.000 1.392 6 I HN 0.881 nan 8.210 nan 0.000 0.545 7 G N 5.022 113.611 108.800 -0.351 0.000 2.436 7 G HA2 -0.293 3.669 3.960 0.004 0.000 0.204 7 G HA3 -0.293 3.669 3.960 0.004 0.000 0.204 7 G C 0.085 174.985 174.900 0.000 0.000 1.026 7 G CA -0.533 44.368 45.100 -0.332 0.000 0.658 7 G HN 0.556 nan 8.290 nan 0.000 0.499 8 Y N 4.590 124.839 120.300 -0.085 0.000 2.511 8 Y HA 0.469 5.022 4.550 0.005 0.000 0.332 8 Y C -0.968 174.861 175.900 -0.118 0.000 1.177 8 Y CA -0.285 57.756 58.100 -0.098 0.000 1.422 8 Y CB 1.227 39.637 38.460 -0.083 0.000 1.271 8 Y HN 0.110 nan 8.280 nan 0.000 0.550 9 P HA 0.070 nan 4.420 nan 0.000 0.259 9 P C -0.177 176.598 177.300 -0.875 0.000 1.530 9 P CA 0.407 62.705 63.100 -1.336 0.000 1.022 9 P CB 0.046 30.850 31.700 -1.494 0.000 1.514 10 Y N 0.319 120.386 120.300 -0.388 0.000 2.269 10 Y HA 0.106 4.657 4.550 0.003 0.000 0.294 10 Y C 1.073 176.830 175.900 -0.238 0.000 1.120 10 Y CA 0.929 58.827 58.100 -0.337 0.000 1.159 10 Y CB 0.035 38.274 38.460 -0.368 0.000 1.024 10 Y HN -0.015 nan 8.280 nan 0.000 0.532 11 D N -0.732 119.657 120.400 -0.018 0.000 2.473 11 D HA 0.176 4.818 4.640 0.004 0.000 0.253 11 D C -0.470 175.831 176.300 0.002 0.000 1.233 11 D CA -0.197 53.791 54.000 -0.021 0.000 0.908 11 D CB 0.320 41.152 40.800 0.053 0.000 1.170 11 D HN -0.031 nan 8.370 nan 0.000 0.558 12 N N 2.563 121.260 118.700 -0.005 0.000 2.336 12 N HA 0.045 4.788 4.740 0.004 0.000 0.189 12 N C -0.482 175.074 175.510 0.077 0.000 1.113 12 N CA 0.171 53.259 53.050 0.064 0.000 0.858 12 N CB 0.097 38.624 38.487 0.065 0.000 0.970 12 N HN 0.359 nan 8.380 nan 0.000 0.471 13 N N -0.262 118.494 118.700 0.093 0.000 2.757 13 N HA 0.069 4.811 4.740 0.004 0.000 0.296 13 N C -0.806 174.848 175.510 0.239 0.000 1.874 13 N CA -0.247 52.891 53.050 0.146 0.000 0.885 13 N CB 0.998 39.568 38.487 0.138 0.000 1.242 13 N HN 0.025 nan 8.380 nan 0.000 0.488 14 T N -1.402 113.269 114.554 0.195 0.000 2.882 14 T HA 0.585 4.937 4.350 0.004 0.000 0.287 14 T C 0.043 174.889 174.700 0.243 0.000 1.014 14 T CA -0.488 61.766 62.100 0.256 0.000 1.049 14 T CB 1.099 70.068 68.868 0.169 0.000 1.001 14 T HN 0.034 nan 8.240 nan 0.000 0.525 15 L N 2.377 123.767 121.223 0.278 0.000 2.370 15 L HA 0.561 4.903 4.340 0.004 0.000 0.266 15 L C -2.142 174.850 176.870 0.203 0.000 1.002 15 L CA -2.795 52.130 54.840 0.141 0.000 0.818 15 L CB 2.529 44.578 42.059 -0.016 0.000 1.325 15 L HN 0.552 nan 8.230 nan 0.000 0.418 16 P HA -0.050 nan 4.420 nan 0.000 0.272 16 P C -1.082 176.183 177.300 -0.058 0.000 1.230 16 P CA -0.381 62.786 63.100 0.111 0.000 0.788 16 P CB 0.497 32.235 31.700 0.064 0.000 0.949 17 Y N 2.003 122.144 120.300 -0.265 0.000 2.359 17 Y HA 0.048 4.600 4.550 0.004 0.000 0.330 17 Y C -1.553 174.192 175.900 -0.258 0.000 1.143 17 Y CA -0.316 57.475 58.100 -0.514 0.000 1.318 17 Y CB 0.904 39.146 38.460 -0.363 0.000 1.234 17 Y HN -0.064 nan 8.280 nan 0.000 0.522 18 V N 6.345 125.723 119.914 -0.894 0.000 2.488 18 V HA 0.115 nan 4.120 nan 0.000 0.293 18 V C 0.277 175.807 176.094 -0.940 0.000 1.027 18 V CA -0.710 61.160 62.300 -0.717 0.000 0.862 18 V CB 1.379 32.853 31.823 -0.583 0.000 1.008 18 V HN 0.309 7.840 8.190 -1.098 0.000 0.428 19 A N 9.232 131.621 122.820 -0.718 0.000 2.531 19 A HA 0.505 4.827 4.320 0.004 0.000 0.236 19 A C -1.986 175.310 177.584 -0.481 0.000 1.062 19 A CA -0.612 51.098 52.037 -0.546 0.000 0.760 19 A CB -0.398 18.363 19.000 -0.399 0.000 0.995 19 A HN 0.578 nan 8.150 nan 0.000 0.501 20 P HA 0.276 nan 4.420 nan 0.000 0.275 20 P C 0.272 177.396 177.300 -0.293 0.000 1.227 20 P CA 0.190 63.136 63.100 -0.257 0.000 0.781 20 P CB 1.057 32.687 31.700 -0.118 0.000 0.906 21 G N 2.720 111.394 108.800 -0.211 0.000 2.502 21 G HA2 0.336 4.298 3.960 0.004 0.000 0.305 21 G HA3 0.336 4.298 3.960 0.004 0.000 0.305 21 G C -1.446 173.398 174.900 -0.093 0.000 1.190 21 G CA -1.450 43.544 45.100 -0.177 0.000 0.933 21 G HN 0.302 nan 8.290 nan 0.000 0.503 22 P HA -0.121 nan 4.420 nan 0.000 0.221 22 P C 1.445 178.737 177.300 -0.013 0.000 1.145 22 P CA 1.800 64.891 63.100 -0.014 0.000 0.795 22 P CB 0.081 31.776 31.700 -0.009 0.000 0.775 23 T N -5.477 109.059 114.554 -0.028 0.000 3.086 23 T HA 0.114 4.466 4.350 0.004 0.000 0.250 23 T C 0.476 175.163 174.700 -0.021 0.000 1.074 23 T CA -0.366 61.721 62.100 -0.021 0.000 0.988 23 T CB -0.364 68.490 68.868 -0.024 0.000 0.988 23 T HN -0.105 nan 8.240 nan 0.000 0.530 24 D N 2.436 122.819 120.400 -0.029 0.000 2.341 24 D HA 0.330 4.972 4.640 0.004 0.000 0.245 24 D C -0.330 175.966 176.300 -0.007 0.000 1.106 24 D CA 0.072 54.057 54.000 -0.024 0.000 0.905 24 D CB 1.609 42.383 40.800 -0.043 0.000 1.202 24 D HN 0.231 nan 8.370 nan 0.000 0.426 25 S N 1.745 117.443 115.700 -0.002 0.000 2.457 25 S HA 0.428 4.900 4.470 0.004 0.000 0.289 25 S C -0.347 174.256 174.600 0.006 0.000 1.163 25 S CA -0.749 57.453 58.200 0.003 0.000 1.078 25 S CB 0.390 63.590 63.200 0.000 0.000 0.987 25 S HN 0.206 nan 8.310 nan 0.000 0.482 26 R N 1.879 122.387 120.500 0.014 0.000 2.892 26 R HA 0.792 5.135 4.340 0.004 0.000 0.265 26 R C -0.295 176.010 176.300 0.008 0.000 1.025 26 R CA -0.719 55.391 56.100 0.018 0.000 0.982 26 R CB 1.550 31.873 30.300 0.039 0.000 1.185 26 R HN 0.694 nan 8.270 nan 0.000 0.484 27 A N 1.598 124.418 122.820 -0.000 0.000 2.309 27 A HA 0.651 4.973 4.320 0.004 0.000 0.317 27 A C -2.077 175.481 177.584 -0.042 0.000 1.134 27 A CA -1.332 50.692 52.037 -0.023 0.000 0.866 27 A CB 0.979 19.964 19.000 -0.025 0.000 1.329 27 A HN 0.497 nan 8.150 nan 0.000 0.477 28 P HA 0.159 nan 4.420 nan 0.000 0.253 28 P C -0.323 176.903 177.300 -0.122 0.000 1.459 28 P CA 0.255 63.296 63.100 -0.098 0.000 0.908 28 P CB -0.427 31.207 31.700 -0.111 0.000 1.470 29 C N 1.108 120.350 119.300 -0.096 0.000 2.340 29 C HA 0.531 4.993 4.460 0.004 0.000 0.323 29 C C -1.500 173.439 174.990 -0.085 0.000 1.260 29 C CA -2.426 56.549 59.018 -0.072 0.000 1.464 29 C CB 1.250 28.992 27.740 0.003 0.000 2.156 29 C HN 0.026 nan 8.230 nan 0.000 0.476 30 P HA -0.065 nan 4.420 nan 0.000 0.216 30 P C 1.399 178.815 177.300 0.194 0.000 1.150 30 P CA 2.104 65.001 63.100 -0.339 0.000 0.837 30 P CB 0.177 31.158 31.700 -1.198 0.000 0.786 31 A N -0.602 122.480 122.820 0.437 0.000 1.873 31 A HA -0.137 4.185 4.320 0.004 0.000 0.215 31 A C 2.196 179.963 177.584 0.304 0.000 1.186 31 A CA 1.336 53.715 52.037 0.570 0.000 0.616 31 A CB -1.604 17.798 19.000 0.670 0.000 0.823 31 A HN 0.088 nan 8.150 nan 0.000 0.442 32 L N -0.164 121.208 121.223 0.247 0.000 2.046 32 L HA -0.214 4.128 4.340 0.004 0.000 0.208 32 L C 2.283 179.199 176.870 0.077 0.000 1.077 32 L CA 1.297 56.221 54.840 0.140 0.000 0.747 32 L CB -0.690 41.452 42.059 0.139 0.000 0.896 32 L HN 0.351 nan 8.230 nan 0.000 0.432 33 N N 0.275 119.018 118.700 0.071 0.000 2.166 33 N HA -0.098 4.644 4.740 0.004 0.000 0.186 33 N C 1.304 176.846 175.510 0.054 0.000 1.019 33 N CA 0.666 53.744 53.050 0.045 0.000 0.856 33 N CB -0.322 38.183 38.487 0.030 0.000 0.993 33 N HN 0.158 nan 8.380 nan 0.000 0.426 34 A N 1.014 123.884 122.820 0.083 0.000 1.930 34 A HA 0.046 4.368 4.320 0.004 0.000 0.217 34 A C 1.332 178.995 177.584 0.131 0.000 1.175 34 A CA 0.961 53.017 52.037 0.032 0.000 0.627 34 A CB -0.218 18.686 19.000 -0.161 0.000 0.815 34 A HN 0.008 nan 8.150 nan 0.000 0.443 35 L N -0.481 120.833 121.223 0.152 0.000 2.027 35 L HA -0.194 4.148 4.340 0.004 0.000 0.206 35 L C 2.515 179.391 176.870 0.009 0.000 1.074 35 L CA -0.156 54.789 54.840 0.176 0.000 0.745 35 L CB -0.351 41.718 42.059 0.016 0.000 0.898 35 L HN 0.166 nan 8.230 nan 0.000 0.433 36 A N 0.067 122.869 122.820 -0.030 0.000 1.933 36 A HA -0.195 4.127 4.320 0.004 0.000 0.218 36 A C 1.994 179.485 177.584 -0.156 0.000 1.175 36 A CA 1.741 53.715 52.037 -0.105 0.000 0.628 36 A CB -0.534 18.442 19.000 -0.039 0.000 0.814 36 A HN 0.418 nan 8.150 nan 0.000 0.444 37 N N -0.646 117.994 118.700 -0.099 0.000 2.289 37 N HA -0.075 4.668 4.740 0.004 0.000 0.184 37 N C 1.876 177.210 175.510 -0.294 0.000 1.016 37 N CA 0.880 53.807 53.050 -0.205 0.000 0.872 37 N CB -0.171 38.170 38.487 -0.244 0.000 0.973 37 N HN 0.527 nan 8.380 nan 0.000 0.433 38 H N -0.460 118.414 119.070 -0.325 0.000 2.551 38 H HA 0.169 4.728 4.556 0.004 0.000 0.271 38 H C 0.829 175.642 175.328 -0.859 0.000 0.984 38 H CA -0.091 55.640 56.048 -0.528 0.000 1.164 38 H CB 0.482 29.795 29.762 -0.748 0.000 1.437 38 H HN 0.159 nan 8.280 nan 0.000 0.550 39 G N 1.081 109.295 108.800 -0.976 0.000 2.148 39 G HA2 -0.350 3.612 3.960 0.004 0.000 0.254 39 G HA3 -0.350 3.612 3.960 0.004 0.000 0.254 39 G C 0.480 175.104 174.900 -0.461 0.000 0.981 39 G CA 0.470 44.945 45.100 -1.041 0.000 0.670 39 G HN 0.386 nan 8.290 nan 0.000 0.528 40 Y N 0.134 120.305 120.300 -0.215 0.000 2.352 40 Y HA 0.265 4.817 4.550 0.005 0.000 0.292 40 Y C 2.013 177.859 175.900 -0.089 0.000 1.136 40 Y CA 0.743 58.752 58.100 -0.151 0.000 1.227 40 Y CB -0.130 38.229 38.460 -0.169 0.000 0.991 40 Y HN 0.699 nan 8.280 nan 0.000 0.545 41 I N -4.134 116.434 120.570 -0.004 0.000 2.934 41 I HA 0.528 4.701 4.170 0.004 0.000 0.306 41 I C -2.853 173.211 176.117 -0.089 0.000 1.110 41 I CA -2.969 58.328 61.300 -0.006 0.000 1.019 41 I CB 2.025 40.034 38.000 0.015 0.000 1.227 41 I HN -0.406 nan 8.210 nan 0.000 0.434 42 P HA -0.091 nan 4.420 nan 0.000 0.259 42 P C 0.201 177.464 177.300 -0.061 0.000 1.155 42 P CA 0.478 63.553 63.100 -0.042 0.000 0.759 42 P CB 0.110 31.813 31.700 0.005 0.000 0.753 43 H N 2.650 121.683 119.070 -0.062 0.000 2.457 43 H HA -0.144 4.415 4.556 0.004 0.000 0.297 43 H C 1.301 176.578 175.328 -0.085 0.000 1.092 43 H CA 1.914 57.903 56.048 -0.099 0.000 1.309 43 H CB -0.102 29.585 29.762 -0.125 0.000 1.382 43 H HN 0.559 nan 8.280 nan 0.000 0.535 44 D N -0.954 119.484 120.400 0.063 0.000 2.340 44 D HA 0.030 4.673 4.640 0.004 0.000 0.220 44 D C 1.400 177.705 176.300 0.009 0.000 1.039 44 D CA 0.704 54.715 54.000 0.019 0.000 0.866 44 D CB -0.400 40.406 40.800 0.009 0.000 0.913 44 D HN 0.300 nan 8.370 nan 0.000 0.523 45 G N 0.638 109.443 108.800 0.009 0.000 2.273 45 G HA2 -0.320 3.642 3.960 0.004 0.000 0.280 45 G HA3 -0.320 3.642 3.960 0.004 0.000 0.280 45 G C -0.049 174.855 174.900 0.007 0.000 1.047 45 G CA 0.143 45.246 45.100 0.005 0.000 0.869 45 G HN 0.487 nan 8.290 nan 0.000 0.502 46 R N -0.938 119.569 120.500 0.013 0.000 2.795 46 R HA 0.691 5.033 4.340 0.004 0.000 0.275 46 R C 0.626 176.943 176.300 0.028 0.000 0.981 46 R CA -0.524 55.585 56.100 0.015 0.000 0.917 46 R CB 1.739 32.047 30.300 0.013 0.000 1.202 46 R HN 1.566 nan 8.270 nan 0.000 0.469 47 A N 2.170 125.011 122.820 0.035 0.000 2.303 47 A HA -0.176 4.147 4.320 0.004 0.000 0.286 47 A C -0.244 177.384 177.584 0.073 0.000 1.429 47 A CA 0.578 52.649 52.037 0.056 0.000 0.738 47 A CB -1.795 17.235 19.000 0.050 0.000 1.149 47 A HN 0.579 nan 8.150 nan 0.000 0.364 48 I N 1.460 122.081 120.570 0.086 0.000 2.377 48 I HA 0.494 4.666 4.170 0.004 0.000 0.293 48 I C 0.895 177.130 176.117 0.197 0.000 0.987 48 I CA -0.042 61.326 61.300 0.113 0.000 1.185 48 I CB 2.075 40.129 38.000 0.089 0.000 1.341 48 I HN 0.655 nan 8.210 nan 0.000 0.455 49 S N 5.187 121.004 115.700 0.195 0.000 2.687 49 S HA 0.457 4.929 4.470 0.004 0.000 0.283 49 S C 0.934 175.688 174.600 0.257 0.000 1.170 49 S CA -0.804 57.539 58.200 0.237 0.000 1.008 49 S CB 1.813 65.098 63.200 0.142 0.000 1.026 49 S HN 0.627 nan 8.310 nan 0.000 0.541 50 R N 0.597 121.242 120.500 0.242 0.000 2.091 50 R HA -0.108 4.234 4.340 0.004 0.000 0.238 50 R C 1.893 178.291 176.300 0.164 0.000 1.136 50 R CA 1.873 58.105 56.100 0.220 0.000 0.959 50 R CB -0.462 29.895 30.300 0.096 0.000 0.856 50 R HN 0.712 nan 8.270 nan 0.000 0.437 51 E N -0.307 119.963 120.200 0.116 0.000 2.077 51 E HA -0.116 4.236 4.350 0.004 0.000 0.193 51 E C 1.994 178.660 176.600 0.110 0.000 0.989 51 E CA 1.680 58.136 56.400 0.095 0.000 0.800 51 E CB -0.254 29.486 29.700 0.066 0.000 0.746 51 E HN 0.223 nan 8.360 nan 0.000 0.452 52 T N 1.019 115.645 114.554 0.121 0.000 2.746 52 T HA -0.115 4.237 4.350 0.004 0.000 0.267 52 T C 1.587 176.374 174.700 0.145 0.000 1.039 52 T CA 0.686 62.858 62.100 0.119 0.000 1.142 52 T CB -0.192 68.743 68.868 0.111 0.000 0.866 52 T HN -0.022 nan 8.240 nan 0.000 0.444 53 L N 1.373 122.711 121.223 0.192 0.000 1.989 53 L HA -0.083 4.259 4.340 0.004 0.000 0.211 53 L C 2.615 179.691 176.870 0.344 0.000 1.071 53 L CA 1.689 56.696 54.840 0.278 0.000 0.749 53 L CB -1.286 40.976 42.059 0.337 0.000 0.890 53 L HN 0.333 nan 8.230 nan 0.000 0.431 54 Q N -0.921 119.032 119.800 0.254 0.000 2.077 54 Q HA -0.225 4.117 4.340 0.004 0.000 0.206 54 Q C 1.965 178.064 176.000 0.164 0.000 0.989 54 Q CA 1.662 57.589 55.803 0.206 0.000 0.853 54 Q CB -0.203 28.612 28.738 0.129 0.000 0.907 54 Q HN 0.548 nan 8.270 nan 0.000 0.418 55 N N 0.225 118.993 118.700 0.114 0.000 2.188 55 N HA -0.089 4.653 4.740 0.004 0.000 0.184 55 N C 1.666 177.191 175.510 0.025 0.000 1.018 55 N CA 1.214 54.295 53.050 0.051 0.000 0.858 55 N CB -0.257 38.254 38.487 0.040 0.000 0.989 55 N HN 0.225 nan 8.380 nan 0.000 0.426 56 A N 0.680 123.546 122.820 0.077 0.000 1.877 56 A HA -0.092 4.231 4.320 0.004 0.000 0.216 56 A C 2.019 179.572 177.584 -0.052 0.000 1.186 56 A CA 1.055 53.124 52.037 0.054 0.000 0.620 56 A CB -0.884 18.129 19.000 0.021 0.000 0.822 56 A HN 0.152 nan 8.150 nan 0.000 0.443 57 F N -0.805 119.167 119.950 0.036 0.000 2.146 57 F HA -0.100 4.430 4.527 0.004 0.000 0.298 57 F C 2.084 177.843 175.800 -0.068 0.000 1.096 57 F CA 1.486 59.485 58.000 -0.001 0.000 1.275 57 F CB -0.478 38.529 39.000 0.011 0.000 1.008 57 F HN 0.267 nan 8.300 nan 0.000 0.480 58 L N 0.426 121.715 121.223 0.110 0.000 2.005 58 L HA -0.153 4.189 4.340 0.004 0.000 0.207 58 L C 1.919 178.706 176.870 -0.139 0.000 1.072 58 L CA 1.917 56.751 54.840 -0.010 0.000 0.744 58 L CB -0.952 41.100 42.059 -0.012 0.000 0.895 58 L HN 0.023 nan 8.230 nan 0.000 0.433 59 N N -1.387 117.159 118.700 -0.257 0.000 2.446 59 N HA -0.064 4.678 4.740 0.004 0.000 0.179 59 N C 1.032 176.095 175.510 -0.745 0.000 1.054 59 N CA 0.849 53.599 53.050 -0.500 0.000 0.905 59 N CB -0.091 38.028 38.487 -0.613 0.000 0.973 59 N HN 0.582 nan 8.380 nan 0.000 0.448 60 H N -1.458 117.412 119.070 -0.333 0.000 3.170 60 H HA 0.339 4.898 4.556 0.004 0.000 0.264 60 H C 0.986 176.054 175.328 -0.434 0.000 1.113 60 H CA 0.058 55.816 56.048 -0.482 0.000 1.194 60 H CB 0.967 30.169 29.762 -0.933 0.000 1.553 60 H HN 0.102 nan 8.280 nan 0.000 0.538 61 M N -0.740 118.745 119.600 -0.191 0.000 2.289 61 M HA 0.239 4.721 4.480 0.004 0.000 0.335 61 M C 0.846 177.096 176.300 -0.084 0.000 0.961 61 M CA 0.331 55.554 55.300 -0.129 0.000 1.018 61 M CB 1.959 34.563 32.600 0.006 0.000 1.678 61 M HN 0.260 nan 8.290 nan 0.000 0.589 62 G N 2.263 110.994 108.800 -0.116 0.000 2.221 62 G HA2 -0.207 3.755 3.960 0.004 0.000 0.265 62 G HA3 -0.207 3.755 3.960 0.004 0.000 0.265 62 G C -0.248 174.617 174.900 -0.058 0.000 1.041 62 G CA -0.088 44.940 45.100 -0.120 0.000 0.807 62 G HN 0.388 nan 8.290 nan 0.000 0.502 63 I N 0.889 121.465 120.570 0.009 0.000 2.355 63 I HA 0.619 4.791 4.170 0.004 0.000 0.288 63 I C 0.905 177.038 176.117 0.025 0.000 0.999 63 I CA -0.917 60.398 61.300 0.026 0.000 1.163 63 I CB 0.904 38.944 38.000 0.067 0.000 1.316 63 I HN 0.321 nan 8.210 nan 0.000 0.454 64 A N 5.875 128.699 122.820 0.007 0.000 2.346 64 A HA 0.277 4.599 4.320 0.004 0.000 0.252 64 A C 1.192 178.787 177.584 0.018 0.000 1.089 64 A CA -0.265 51.780 52.037 0.013 0.000 0.797 64 A CB 0.242 19.250 19.000 0.013 0.000 1.047 64 A HN 0.734 nan 8.150 nan 0.000 0.494 65 N N 0.813 119.529 118.700 0.027 0.000 2.149 65 N HA -0.180 4.563 4.740 0.004 0.000 0.188 65 N C 2.068 177.600 175.510 0.037 0.000 1.019 65 N CA 1.871 54.941 53.050 0.034 0.000 0.857 65 N CB -0.599 37.912 38.487 0.039 0.000 0.997 65 N HN 0.793 nan 8.380 nan 0.000 0.426 66 S N 0.232 115.958 115.700 0.043 0.000 2.400 66 S HA -0.092 4.380 4.470 0.004 0.000 0.232 66 S C 2.143 176.793 174.600 0.084 0.000 1.025 66 S CA 1.075 59.311 58.200 0.059 0.000 0.993 66 S CB -0.798 62.437 63.200 0.059 0.000 0.808 66 S HN 0.067 nan 8.310 nan 0.000 0.478 67 V N 2.875 122.840 119.914 0.085 0.000 2.407 67 V HA -0.074 4.049 4.120 0.004 0.000 0.248 67 V C 2.218 178.403 176.094 0.152 0.000 1.055 67 V CA 1.906 64.293 62.300 0.145 0.000 1.049 67 V CB -0.850 31.031 31.823 0.097 0.000 0.662 67 V HN 0.833 nan 8.190 nan 0.000 0.455 68 I N -2.569 118.017 120.570 0.027 0.000 3.904 68 I HA 0.235 4.407 4.170 0.004 0.000 0.333 68 I C 1.839 178.010 176.117 0.091 0.000 1.361 68 I CA 0.414 61.725 61.300 0.018 0.000 1.116 68 I CB -0.233 37.643 38.000 -0.207 0.000 1.028 68 I HN 0.245 nan 8.210 nan 0.000 0.398 69 E N 1.734 121.989 120.200 0.092 0.000 2.033 69 E HA -0.274 4.078 4.350 0.004 0.000 0.199 69 E C 2.083 178.742 176.600 0.099 0.000 1.011 69 E CA 1.935 58.387 56.400 0.087 0.000 0.815 69 E CB -0.034 29.706 29.700 0.067 0.000 0.755 69 E HN 0.548 nan 8.360 nan 0.000 0.451 70 L N 0.795 122.074 121.223 0.094 0.000 2.083 70 L HA -0.066 4.276 4.340 0.004 0.000 0.209 70 L C 2.257 179.175 176.870 0.080 0.000 1.083 70 L CA 2.099 56.976 54.840 0.063 0.000 0.752 70 L CB -0.710 41.368 42.059 0.032 0.000 0.899 70 L HN 0.225 nan 8.230 nan 0.000 0.433 71 A N -0.781 122.149 122.820 0.184 0.000 1.908 71 A HA -0.193 4.129 4.320 0.004 0.000 0.218 71 A C 2.151 179.940 177.584 0.342 0.000 1.181 71 A CA 1.902 54.142 52.037 0.338 0.000 0.627 71 A CB -0.834 18.436 19.000 0.451 0.000 0.818 71 A HN 0.408 nan 8.150 nan 0.000 0.445 72 L N -0.294 121.090 121.223 0.269 0.000 2.017 72 L HA -0.119 4.223 4.340 0.004 0.000 0.208 72 L C 2.734 179.828 176.870 0.372 0.000 1.073 72 L CA 2.480 57.519 54.840 0.332 0.000 0.745 72 L CB -1.521 40.696 42.059 0.263 0.000 0.894 72 L HN 0.394 nan 8.230 nan 0.000 0.432 73 T N -0.284 114.405 114.554 0.225 0.000 2.684 73 T HA -0.165 4.187 4.350 0.004 0.000 0.267 73 T C 1.710 176.520 174.700 0.184 0.000 1.036 73 T CA 1.544 63.751 62.100 0.179 0.000 1.148 73 T CB -0.209 68.706 68.868 0.079 0.000 0.863 73 T HN 0.276 nan 8.240 nan 0.000 0.436 74 N N 1.162 119.913 118.700 0.084 0.000 2.244 74 N HA 0.060 4.802 4.740 0.004 0.000 0.183 74 N C 2.024 177.673 175.510 0.231 0.000 1.016 74 N CA 1.088 54.134 53.050 -0.007 0.000 0.866 74 N CB -0.511 37.653 38.487 -0.539 0.000 0.980 74 N HN 0.427 nan 8.380 nan 0.000 0.430 75 A N 0.026 123.059 122.820 0.355 0.000 1.902 75 A HA -0.050 4.272 4.320 0.004 0.000 0.217 75 A C 1.861 179.482 177.584 0.062 0.000 1.181 75 A CA 0.958 53.160 52.037 0.276 0.000 0.623 75 A CB -0.788 18.312 19.000 0.168 0.000 0.818 75 A HN 0.209 nan 8.150 nan 0.000 0.443 76 F N -0.784 119.275 119.950 0.183 0.000 2.456 76 F HA -0.030 4.499 4.527 0.003 0.000 0.298 76 F C 2.270 178.161 175.800 0.151 0.000 1.104 76 F CA 0.847 58.933 58.000 0.144 0.000 1.435 76 F CB -0.101 38.966 39.000 0.113 0.000 1.078 76 F HN 0.020 nan 8.300 nan 0.000 0.546 77 V N -0.864 119.234 119.914 0.307 0.000 2.358 77 V HA -0.223 3.899 4.120 0.004 0.000 0.246 77 V C 2.218 178.506 176.094 0.322 0.000 1.047 77 V CA 1.422 63.891 62.300 0.282 0.000 1.035 77 V CB -0.455 31.511 31.823 0.238 0.000 0.658 77 V HN 0.122 nan 8.190 nan 0.000 0.452 78 V N -1.106 118.990 119.914 0.303 0.000 2.427 78 V HA -0.284 3.839 4.120 0.004 0.000 0.248 78 V C 2.517 178.702 176.094 0.152 0.000 1.051 78 V CA 2.037 64.496 62.300 0.264 0.000 1.048 78 V CB -0.629 31.352 31.823 0.263 0.000 0.666 78 V HN 0.764 nan 8.190 nan 0.000 0.456 79 c N 0.145 118.806 118.600 0.103 0.000 2.429 79 c HA -0.184 4.388 4.570 0.004 0.000 0.277 79 c C 2.814 176.956 174.090 0.086 0.000 1.262 79 c CA 1.796 58.149 56.329 0.040 0.000 1.733 79 c CB -0.730 41.763 42.510 -0.027 0.000 2.010 79 c HN 0.730 nan 8.230 nan 0.000 0.483 80 E N -1.397 118.898 120.200 0.158 0.000 2.072 80 E HA -0.246 4.106 4.350 0.004 0.000 0.191 80 E C 2.040 178.739 176.600 0.164 0.000 0.985 80 E CA 1.463 57.958 56.400 0.159 0.000 0.801 80 E CB -0.492 29.320 29.700 0.187 0.000 0.750 80 E HN 0.795 nan 8.360 nan 0.000 0.452 81 Y N 0.916 121.235 120.300 0.031 0.000 2.114 81 Y HA -0.200 4.352 4.550 0.004 0.000 0.284 81 Y C 1.990 177.839 175.900 -0.085 0.000 1.143 81 Y CA 1.481 59.552 58.100 -0.048 0.000 1.135 81 Y CB -0.638 37.696 38.460 -0.210 0.000 0.980 81 Y HN -0.080 nan 8.280 nan 0.000 0.499 82 V N 0.129 119.890 119.914 -0.254 0.000 2.323 82 V HA -0.250 3.872 4.120 0.004 0.000 0.244 82 V C 2.490 178.478 176.094 -0.176 0.000 1.041 82 V CA 2.513 64.609 62.300 -0.341 0.000 1.025 82 V CB -1.341 30.335 31.823 -0.245 0.000 0.656 82 V HN 0.657 nan 8.190 nan 0.000 0.451 83 T N -2.289 112.219 114.554 -0.076 0.000 3.067 83 T HA 0.200 4.552 4.350 0.004 0.000 0.261 83 T C 1.516 176.206 174.700 -0.018 0.000 1.110 83 T CA 0.852 62.930 62.100 -0.037 0.000 1.113 83 T CB 0.226 69.093 68.868 -0.002 0.000 0.917 83 T HN 1.070 nan 8.240 nan 0.000 0.499 84 G N 0.042 108.839 108.800 -0.004 0.000 2.198 84 G HA2 -0.092 3.870 3.960 0.004 0.000 0.257 84 G HA3 -0.092 3.870 3.960 0.004 0.000 0.257 84 G C 0.010 174.936 174.900 0.043 0.000 1.042 84 G CA 0.306 45.420 45.100 0.023 0.000 0.791 84 G HN 1.137 nan 8.290 nan 0.000 0.502 85 S N -1.375 114.360 115.700 0.058 0.000 2.611 85 S HA 0.419 4.891 4.470 0.004 0.000 0.270 85 S C -1.415 173.237 174.600 0.086 0.000 1.131 85 S CA -0.222 58.017 58.200 0.064 0.000 0.826 85 S CB 1.401 64.630 63.200 0.048 0.000 1.095 85 S HN 0.341 nan 8.310 nan 0.000 0.461 86 D N 1.349 121.801 120.400 0.086 0.000 2.417 86 D HA 0.147 4.790 4.640 0.004 0.000 0.250 86 D C 0.821 177.194 176.300 0.122 0.000 1.166 86 D CA 0.063 54.126 54.000 0.106 0.000 0.881 86 D CB 0.746 41.594 40.800 0.080 0.000 1.164 86 D HN 0.585 nan 8.370 nan 0.000 0.467 87 c N 3.178 121.890 118.600 0.186 0.000 2.626 87 c HA 0.273 4.845 4.570 0.004 0.000 0.266 87 c C 1.716 175.948 174.090 0.236 0.000 1.317 87 c CA 0.106 56.571 56.329 0.227 0.000 1.716 87 c CB -1.156 41.532 42.510 0.297 0.000 1.819 87 c HN 0.910 nan 8.230 nan 0.000 0.578 88 G N 1.698 110.586 108.800 0.147 0.000 2.646 88 G HA2 -0.377 3.585 3.960 0.004 0.000 0.324 88 G HA3 -0.377 3.585 3.960 0.004 0.000 0.324 88 G C 0.294 175.147 174.900 -0.079 0.000 1.195 88 G CA 1.125 46.248 45.100 0.038 0.000 0.976 88 G HN 0.451 nan 8.290 nan 0.000 0.546 89 D N 0.329 120.722 120.400 -0.012 0.000 2.696 89 D HA 0.495 5.138 4.640 0.004 0.000 0.269 89 D C -0.184 176.236 176.300 0.199 0.000 1.319 89 D CA 0.880 54.840 54.000 -0.066 0.000 0.826 89 D CB 0.023 40.782 40.800 -0.068 0.000 1.086 89 D HN 0.488 nan 8.370 nan 0.000 0.481 90 S N 0.753 116.678 115.700 0.375 0.000 2.620 90 S HA 0.306 4.779 4.470 0.004 0.000 0.244 90 S C -1.095 173.682 174.600 0.294 0.000 1.192 90 S CA -0.712 57.671 58.200 0.306 0.000 1.148 90 S CB 0.083 63.382 63.200 0.165 0.000 1.106 90 S HN 0.192 nan 8.310 nan 0.000 0.474 91 L N 6.952 128.287 121.223 0.186 0.000 2.562 91 L HA 0.237 4.579 4.340 0.004 0.000 0.271 91 L C 1.433 178.290 176.870 -0.022 0.000 1.167 91 L CA 0.709 55.469 54.840 -0.133 0.000 0.917 91 L CB 0.431 42.307 42.059 -0.304 0.000 1.187 91 L HN 0.588 nan 8.230 nan 0.000 0.482 92 V N 3.850 123.753 119.914 -0.017 0.000 2.231 92 V HA -0.255 3.867 4.120 0.004 0.000 0.250 92 V C 0.767 176.857 176.094 -0.007 0.000 1.058 92 V CA 2.244 64.546 62.300 0.002 0.000 1.022 92 V CB -0.933 30.890 31.823 -0.001 0.000 0.640 92 V HN 1.092 nan 8.190 nan 0.000 0.445 93 N N -3.074 115.610 118.700 -0.027 0.000 3.116 93 N HA 0.279 5.021 4.740 0.004 0.000 0.244 93 N C -0.323 175.168 175.510 -0.031 0.000 1.485 93 N CA -0.733 52.305 53.050 -0.019 0.000 0.884 93 N CB 0.852 39.332 38.487 -0.012 0.000 1.415 93 N HN -0.066 nan 8.380 nan 0.000 0.524 94 L N -0.464 120.748 121.223 -0.019 0.000 2.270 94 L HA 0.059 4.401 4.340 0.004 0.000 0.210 94 L C 1.473 178.329 176.870 -0.025 0.000 1.104 94 L CA 1.080 55.908 54.840 -0.020 0.000 0.804 94 L CB -0.511 41.545 42.059 -0.005 0.000 0.937 94 L HN 0.692 nan 8.230 nan 0.000 0.450 95 T N 1.467 116.010 114.554 -0.019 0.000 2.788 95 T HA -0.154 4.199 4.350 0.004 0.000 0.268 95 T C 1.764 176.446 174.700 -0.029 0.000 1.044 95 T CA 1.534 63.624 62.100 -0.017 0.000 1.139 95 T CB -0.339 68.526 68.868 -0.006 0.000 0.867 95 T HN 0.304 nan 8.240 nan 0.000 0.454 96 L N 0.138 121.338 121.223 -0.038 0.000 2.450 96 L HA 0.147 4.489 4.340 0.004 0.000 0.224 96 L C 1.863 178.708 176.870 -0.041 0.000 1.149 96 L CA 1.314 56.124 54.840 -0.050 0.000 0.816 96 L CB -1.311 40.713 42.059 -0.058 0.000 0.932 96 L HN 0.160 nan 8.230 nan 0.000 0.449 97 L N 0.254 121.454 121.223 -0.039 0.000 2.456 97 L HA 0.012 4.354 4.340 0.004 0.000 0.224 97 L C 2.457 179.297 176.870 -0.051 0.000 1.148 97 L CA 0.691 55.507 54.840 -0.039 0.000 0.825 97 L CB -0.574 41.434 42.059 -0.086 0.000 0.937 97 L HN 0.488 nan 8.230 nan 0.000 0.450 98 A N -0.553 122.237 122.820 -0.051 0.000 2.278 98 A HA -0.010 4.312 4.320 0.004 0.000 0.212 98 A C 0.818 178.359 177.584 -0.071 0.000 1.213 98 A CA -0.190 51.814 52.037 -0.055 0.000 0.840 98 A CB -0.356 18.623 19.000 -0.035 0.000 0.866 98 A HN 0.259 nan 8.150 nan 0.000 0.489 99 E N 2.492 122.654 120.200 -0.064 0.000 2.493 99 E HA 0.101 4.454 4.350 0.004 0.000 0.255 99 E C -2.231 174.320 176.600 -0.082 0.000 0.999 99 E CA -1.974 54.368 56.400 -0.097 0.000 0.934 99 E CB 0.329 29.986 29.700 -0.072 0.000 0.940 99 E HN 0.298 nan 8.360 nan 0.000 0.473 100 P HA -0.043 nan 4.420 nan 0.000 0.269 100 P C -0.676 176.608 177.300 -0.026 0.000 1.215 100 P CA 0.259 63.190 63.100 -0.283 0.000 0.780 100 P CB 0.209 31.411 31.700 -0.830 0.000 0.898 101 H N -0.860 118.199 119.070 -0.018 0.000 2.713 101 H HA -0.198 4.360 4.556 0.004 0.000 0.311 101 H C 0.657 176.095 175.328 0.184 0.000 1.175 101 H CA 0.163 56.212 56.048 0.002 0.000 1.143 101 H CB -1.373 28.313 29.762 -0.126 0.000 1.434 101 H HN 0.644 nan 8.280 nan 0.000 0.418 102 A N 0.057 123.082 122.820 0.343 0.000 2.446 102 A HA 0.368 4.691 4.320 0.004 0.000 0.199 102 A C 0.861 178.708 177.584 0.438 0.000 1.677 102 A CA 0.072 52.391 52.037 0.470 0.000 1.600 102 A CB -0.383 18.815 19.000 0.330 0.000 1.583 102 A HN 0.137 nan 8.150 nan 0.000 0.551 103 F N 1.184 121.272 119.950 0.231 0.000 2.219 103 F HA 0.249 4.778 4.527 0.003 0.000 0.294 103 F C 0.974 176.878 175.800 0.173 0.000 1.086 103 F CA 0.870 58.988 58.000 0.197 0.000 1.330 103 F CB -0.061 39.042 39.000 0.172 0.000 1.047 103 F HN 0.364 nan 8.300 nan 0.000 0.495 104 E N 1.243 121.608 120.200 0.274 0.000 2.360 104 E HA 0.100 4.452 4.350 0.004 0.000 0.269 104 E C -1.129 175.521 176.600 0.083 0.000 1.022 104 E CA 0.145 56.562 56.400 0.028 0.000 0.887 104 E CB 0.507 30.183 29.700 -0.040 0.000 0.990 104 E HN 0.540 nan 8.360 nan 0.000 0.426 105 H N 0.571 119.670 119.070 0.048 0.000 2.908 105 H HA 0.456 5.015 4.556 0.004 0.000 0.350 105 H C -0.644 174.637 175.328 -0.078 0.000 1.217 105 H CA -1.010 55.033 56.048 -0.009 0.000 1.168 105 H CB 0.518 30.230 29.762 -0.084 0.000 1.891 105 H HN 0.209 nan 8.280 nan 0.000 0.566 106 D N -0.279 120.149 120.400 0.046 0.000 2.414 106 D HA 0.080 4.722 4.640 0.004 0.000 0.251 106 D C 0.086 176.276 176.300 -0.184 0.000 1.252 106 D CA 0.785 54.823 54.000 0.063 0.000 0.999 106 D CB -0.099 40.794 40.800 0.155 0.000 1.093 106 D HN 1.055 nan 8.370 nan 0.000 0.515 107 H N -2.776 116.468 119.070 0.290 0.000 2.604 107 H HA -0.146 4.412 4.556 0.004 0.000 0.321 107 H C -0.706 174.672 175.328 0.083 0.000 1.132 107 H CA 0.514 56.700 56.048 0.230 0.000 1.129 107 H CB -2.286 27.661 29.762 0.308 0.000 1.526 107 H HN 0.005 nan 8.280 nan 0.000 0.415 108 S N -0.492 115.212 115.700 0.007 0.000 2.614 108 S HA 0.300 4.772 4.470 0.004 0.000 0.265 108 S C 1.073 175.696 174.600 0.037 0.000 1.303 108 S CA -0.248 57.917 58.200 -0.059 0.000 1.000 108 S CB 0.277 63.441 63.200 -0.060 0.000 0.935 108 S HN 0.358 nan 8.310 nan 0.000 0.551 109 F N 1.105 121.245 119.950 0.316 0.000 2.293 109 F HA 0.033 4.562 4.527 0.004 0.000 0.297 109 F C 2.272 178.276 175.800 0.340 0.000 1.089 109 F CA 0.786 59.018 58.000 0.387 0.000 1.377 109 F CB -0.194 39.155 39.000 0.582 0.000 1.051 109 F HN 0.590 nan 8.300 nan 0.000 0.511 110 S N -1.863 114.076 115.700 0.399 0.000 2.900 110 S HA 0.454 4.926 4.470 0.004 0.000 0.253 110 S C 0.190 174.709 174.600 -0.135 0.000 1.029 110 S CA -0.579 57.688 58.200 0.112 0.000 1.096 110 S CB 0.290 63.514 63.200 0.040 0.000 1.067 110 S HN -0.002 nan 8.310 nan 0.000 0.610 111 R N 1.392 121.862 120.500 -0.050 0.000 2.750 111 R HA 0.608 4.950 4.340 0.004 0.000 0.281 111 R C -0.877 175.397 176.300 -0.043 0.000 0.972 111 R CA -0.519 55.522 56.100 -0.098 0.000 0.912 111 R CB 1.197 31.444 30.300 -0.089 0.000 1.187 111 R HN 0.145 nan 8.270 nan 0.000 0.464 112 K N 0.745 121.114 120.400 -0.051 0.000 2.138 112 K HA 0.208 4.531 4.320 0.004 0.000 0.251 112 K C -0.516 176.102 176.600 0.030 0.000 1.015 112 K CA -0.493 55.789 56.287 -0.009 0.000 0.917 112 K CB 0.507 32.986 32.500 -0.035 0.000 1.021 112 K HN 0.435 nan 8.250 nan 0.000 0.485 113 D N 0.422 120.869 120.400 0.078 0.000 2.283 113 D HA 0.001 4.643 4.640 0.004 0.000 0.248 113 D C 0.700 177.041 176.300 0.069 0.000 1.072 113 D CA -0.113 53.974 54.000 0.145 0.000 0.929 113 D CB 0.521 41.489 40.800 0.280 0.000 1.182 113 D HN 0.430 nan 8.370 nan 0.000 0.433 114 Y N 1.368 121.606 120.300 -0.103 0.000 2.181 114 Y HA -0.230 4.322 4.550 0.004 0.000 0.284 114 Y C 1.099 176.719 175.900 -0.467 0.000 1.179 114 Y CA 1.750 59.669 58.100 -0.302 0.000 1.179 114 Y CB 0.278 38.463 38.460 -0.458 0.000 0.973 114 Y HN 0.218 nan 8.280 nan 0.000 0.519 115 K N 0.595 120.630 120.400 -0.608 0.000 2.896 115 K HA 0.094 4.417 4.320 0.004 0.000 0.210 115 K C -0.408 176.096 176.600 -0.160 0.000 1.116 115 K CA -0.202 55.762 56.287 -0.539 0.000 1.050 115 K CB 0.533 32.551 32.500 -0.804 0.000 0.812 115 K HN 0.223 nan 8.250 nan 0.000 0.462 116 Q N 0.441 120.194 119.800 -0.078 0.000 2.293 116 Q HA 0.104 4.446 4.340 0.004 0.000 0.263 116 Q C 0.692 176.693 176.000 0.002 0.000 1.002 116 Q CA 0.644 56.460 55.803 0.022 0.000 0.910 116 Q CB 0.547 29.307 28.738 0.037 0.000 1.185 116 Q HN 0.595 nan 8.270 nan 0.000 0.401 117 G N 2.760 111.584 108.800 0.040 0.000 2.233 117 G HA2 -0.285 3.677 3.960 0.004 0.000 0.270 117 G HA3 -0.285 3.677 3.960 0.004 0.000 0.270 117 G C 0.131 175.048 174.900 0.028 0.000 1.011 117 G CA 0.446 45.563 45.100 0.029 0.000 0.762 117 G HN 0.890 nan 8.290 nan 0.000 0.511 118 V N -2.906 117.037 119.914 0.048 0.000 2.649 118 V HA 0.802 4.924 4.120 0.004 0.000 0.292 118 V C 1.362 177.543 176.094 0.145 0.000 1.055 118 V CA 0.443 62.756 62.300 0.022 0.000 1.023 118 V CB 1.204 32.970 31.823 -0.095 0.000 0.992 118 V HN 1.169 nan 8.190 nan 0.000 0.480 119 A N 3.196 126.061 122.820 0.076 0.000 1.970 119 A HA 0.106 4.429 4.320 0.004 0.000 0.216 119 A C 1.185 178.882 177.584 0.188 0.000 1.170 119 A CA 0.890 53.003 52.037 0.127 0.000 0.645 119 A CB -0.407 18.621 19.000 0.048 0.000 0.816 119 A HN 0.925 nan 8.150 nan 0.000 0.447 120 N N -0.280 118.432 118.700 0.020 0.000 2.362 120 N HA 0.154 4.897 4.740 0.004 0.000 0.298 120 N C 0.992 176.211 175.510 -0.485 0.000 1.048 120 N CA 0.580 53.569 53.050 -0.101 0.000 0.858 120 N CB 1.849 40.281 38.487 -0.092 0.000 1.218 120 N HN 0.163 nan 8.380 nan 0.000 0.488 121 S N 2.665 117.904 115.700 -0.768 0.000 2.440 121 S HA -0.089 4.383 4.470 0.004 0.000 0.238 121 S C 0.905 175.206 174.600 -0.498 0.000 1.010 121 S CA 0.819 58.336 58.200 -1.139 0.000 0.972 121 S CB -0.079 62.724 63.200 -0.661 0.000 0.774 121 S HN 0.597 nan 8.310 nan 0.000 0.501 122 N N 1.620 120.155 118.700 -0.275 0.000 2.336 122 N HA 0.151 4.893 4.740 0.004 0.000 0.189 122 N C -0.547 174.904 175.510 -0.099 0.000 1.113 122 N CA 0.250 53.230 53.050 -0.118 0.000 0.858 122 N CB -0.119 38.340 38.487 -0.048 0.000 0.970 122 N HN 0.482 nan 8.380 nan 0.000 0.471 123 D N 0.607 120.882 120.400 -0.208 0.000 2.344 123 D HA 0.255 4.897 4.640 0.004 0.000 0.244 123 D C 0.145 176.275 176.300 -0.283 0.000 1.134 123 D CA 0.116 53.969 54.000 -0.245 0.000 0.930 123 D CB 0.780 41.424 40.800 -0.261 0.000 1.175 123 D HN 0.094 nan 8.370 nan 0.000 0.437 124 F N -1.162 118.484 119.950 -0.507 0.000 2.693 124 F HA 0.602 5.131 4.527 0.004 0.000 0.309 124 F C -1.158 174.306 175.800 -0.560 0.000 1.129 124 F CA -1.156 56.341 58.000 -0.838 0.000 0.948 124 F CB 0.733 38.827 39.000 -1.509 0.000 1.315 124 F HN 0.286 nan 8.300 nan 0.000 0.447 125 I N -1.503 118.843 120.570 -0.372 0.000 3.322 125 I HA 0.602 4.774 4.170 0.004 0.000 0.313 125 I C -1.062 175.027 176.117 -0.048 0.000 1.129 125 I CA -1.052 60.106 61.300 -0.238 0.000 0.963 125 I CB 1.740 39.624 38.000 -0.193 0.000 1.273 125 I HN 0.618 nan 8.210 nan 0.000 0.473 126 D N 2.730 123.107 120.400 -0.038 0.000 2.363 126 D HA 0.036 4.678 4.640 0.004 0.000 0.263 126 D C 0.023 176.332 176.300 0.014 0.000 1.258 126 D CA 0.158 54.169 54.000 0.017 0.000 0.907 126 D CB 0.206 40.999 40.800 -0.012 0.000 1.107 126 D HN 0.685 nan 8.370 nan 0.000 0.495 127 N N 3.383 122.121 118.700 0.063 0.000 2.234 127 N HA 0.012 4.754 4.740 0.004 0.000 0.227 127 N C 0.941 176.448 175.510 -0.005 0.000 1.151 127 N CA -0.242 52.831 53.050 0.039 0.000 0.865 127 N CB 0.354 38.905 38.487 0.107 0.000 1.066 127 N HN 0.437 nan 8.380 nan 0.000 0.515 128 R N -0.081 120.415 120.500 -0.007 0.000 2.194 128 R HA 0.235 4.577 4.340 0.004 0.000 0.194 128 R C -0.352 175.923 176.300 -0.042 0.000 0.985 128 R CA -0.109 55.975 56.100 -0.026 0.000 1.104 128 R CB 0.168 30.468 30.300 -0.000 0.000 1.092 128 R HN -0.020 nan 8.270 nan 0.000 0.555 129 N N 1.136 119.818 118.700 -0.030 0.000 2.525 129 N HA -0.004 4.739 4.740 0.004 0.000 0.271 129 N C -0.840 174.582 175.510 -0.146 0.000 1.194 129 N CA -0.159 52.869 53.050 -0.036 0.000 0.964 129 N CB 0.561 39.066 38.487 0.031 0.000 1.126 129 N HN 0.031 nan 8.380 nan 0.000 0.452 130 F N 1.168 120.857 119.950 -0.435 0.000 2.629 130 F HA -0.060 4.469 4.527 0.004 0.000 0.377 130 F C 0.381 175.887 175.800 -0.490 0.000 1.101 130 F CA 0.112 57.761 58.000 -0.584 0.000 1.301 130 F CB 0.344 38.758 39.000 -0.978 0.000 1.062 130 F HN 0.390 nan 8.300 nan 0.000 0.583 131 D N 5.044 124.775 120.400 -1.116 0.000 2.469 131 D HA 0.467 5.109 4.640 0.004 0.000 0.251 131 D C 0.536 176.267 176.300 -0.949 0.000 1.173 131 D CA 0.078 53.627 54.000 -0.752 0.000 0.882 131 D CB 1.565 42.139 40.800 -0.378 0.000 1.129 131 D HN 0.676 nan 8.370 nan 0.000 0.549 132 A N 3.871 126.271 122.820 -0.702 0.000 1.892 132 A HA -0.235 4.087 4.320 0.004 0.000 0.218 132 A C 1.923 179.417 177.584 -0.150 0.000 1.188 132 A CA 1.420 53.282 52.037 -0.292 0.000 0.631 132 A CB -0.477 18.551 19.000 0.047 0.000 0.822 132 A HN 0.678 nan 8.150 nan 0.000 0.447 133 E N -0.394 119.724 120.200 -0.137 0.000 2.085 133 E HA -0.174 4.179 4.350 0.004 0.000 0.194 133 E C 2.055 178.609 176.600 -0.077 0.000 0.994 133 E CA 1.929 58.278 56.400 -0.084 0.000 0.801 133 E CB -0.415 29.242 29.700 -0.071 0.000 0.743 133 E HN 0.562 nan 8.360 nan 0.000 0.453 134 T N 0.975 115.465 114.554 -0.106 0.000 2.708 134 T HA -0.143 4.209 4.350 0.004 0.000 0.266 134 T C 1.498 176.219 174.700 0.035 0.000 1.037 134 T CA 1.229 63.303 62.100 -0.042 0.000 1.146 134 T CB -0.501 68.329 68.868 -0.063 0.000 0.865 134 T HN 0.165 nan 8.240 nan 0.000 0.435 135 F N 2.208 122.026 119.950 -0.221 0.000 2.216 135 F HA -0.075 4.454 4.527 0.003 0.000 0.300 135 F C 2.413 178.138 175.800 -0.125 0.000 1.085 135 F CA 0.938 58.842 58.000 -0.159 0.000 1.326 135 F CB -0.559 38.338 39.000 -0.173 0.000 1.027 135 F HN 0.016 nan 8.300 nan 0.000 0.497 136 Q N -0.172 119.548 119.800 -0.134 0.000 2.124 136 Q HA -0.160 4.182 4.340 0.004 0.000 0.202 136 Q C 2.440 178.346 176.000 -0.157 0.000 0.977 136 Q CA 2.146 57.834 55.803 -0.192 0.000 0.850 136 Q CB -1.139 27.538 28.738 -0.100 0.000 0.901 136 Q HN 0.592 nan 8.270 nan 0.000 0.429 137 T N -2.632 111.875 114.554 -0.078 0.000 2.962 137 T HA -0.020 4.332 4.350 0.004 0.000 0.270 137 T C 2.033 176.717 174.700 -0.026 0.000 1.088 137 T CA 1.466 63.544 62.100 -0.035 0.000 1.127 137 T CB -0.025 68.849 68.868 0.009 0.000 0.883 137 T HN 0.024 nan 8.240 nan 0.000 0.493 138 S N 1.220 116.894 115.700 -0.043 0.000 2.371 138 S HA 0.266 4.738 4.470 0.004 0.000 0.221 138 S C 1.919 176.420 174.600 -0.164 0.000 1.036 138 S CA 0.631 58.830 58.200 -0.002 0.000 0.965 138 S CB -0.406 62.868 63.200 0.124 0.000 0.845 138 S HN 0.404 nan 8.310 nan 0.000 0.475 139 L N 1.650 122.639 121.223 -0.389 0.000 2.083 139 L HA -0.143 4.199 4.340 0.004 0.000 0.209 139 L C 1.921 178.672 176.870 -0.198 0.000 1.083 139 L CA 0.978 55.593 54.840 -0.375 0.000 0.752 139 L CB -0.654 41.081 42.059 -0.541 0.000 0.899 139 L HN 0.186 nan 8.230 nan 0.000 0.433 140 D N -0.302 120.005 120.400 -0.155 0.000 2.221 140 D HA -0.149 4.493 4.640 0.004 0.000 0.204 140 D C 2.240 178.497 176.300 -0.072 0.000 0.982 140 D CA 1.005 54.948 54.000 -0.095 0.000 0.857 140 D CB -0.071 40.686 40.800 -0.071 0.000 0.934 140 D HN 0.144 nan 8.370 nan 0.000 0.475 141 V N 0.475 120.343 119.914 -0.076 0.000 2.626 141 V HA -0.139 3.983 4.120 0.004 0.000 0.252 141 V C 1.883 177.933 176.094 -0.074 0.000 1.067 141 V CA 1.303 63.566 62.300 -0.062 0.000 1.081 141 V CB -0.242 31.548 31.823 -0.055 0.000 0.686 141 V HN 0.175 nan 8.190 nan 0.000 0.468 142 V N -2.055 117.799 119.914 -0.100 0.000 2.940 142 V HA 0.698 4.820 4.120 0.004 0.000 0.366 142 V C 0.613 176.690 176.094 -0.028 0.000 1.353 142 V CA -0.540 61.719 62.300 -0.069 0.000 1.232 142 V CB -0.371 31.377 31.823 -0.126 0.000 1.278 142 V HN 0.211 nan 8.190 nan 0.000 0.546 143 A N 0.789 123.586 122.820 -0.037 0.000 2.498 143 A HA 0.524 4.846 4.320 0.004 0.000 0.239 143 A C 1.687 179.268 177.584 -0.005 0.000 1.068 143 A CA 0.948 52.968 52.037 -0.028 0.000 0.766 143 A CB -0.392 18.588 19.000 -0.033 0.000 1.003 143 A HN 2.070 nan 8.150 nan 0.000 0.497 144 G N 1.350 110.151 108.800 0.001 0.000 2.176 144 G HA2 -0.225 3.738 3.960 0.004 0.000 0.253 144 G HA3 -0.225 3.738 3.960 0.004 0.000 0.253 144 G C 0.243 175.159 174.900 0.027 0.000 0.979 144 G CA 0.840 45.947 45.100 0.011 0.000 0.641 144 G HN 0.874 nan 8.290 nan 0.000 0.530 145 K N -0.366 120.059 120.400 0.041 0.000 2.185 145 K HA 0.646 4.968 4.320 0.004 0.000 0.240 145 K C 1.419 178.063 176.600 0.074 0.000 0.983 145 K CA -0.083 56.246 56.287 0.070 0.000 0.873 145 K CB 1.413 33.974 32.500 0.102 0.000 1.118 145 K HN 0.197 nan 8.250 nan 0.000 0.441 146 T N -2.815 111.796 114.554 0.095 0.000 2.990 146 T HA 0.137 4.489 4.350 0.004 0.000 0.249 146 T C 0.163 174.798 174.700 -0.109 0.000 1.039 146 T CA 0.270 62.388 62.100 0.029 0.000 1.036 146 T CB -0.048 68.868 68.868 0.079 0.000 0.994 146 T HN 0.529 nan 8.240 nan 0.000 0.489 147 H N 0.358 119.422 119.070 -0.011 0.000 2.928 147 H HA 0.653 5.211 4.556 0.004 0.000 0.371 147 H C -1.286 174.086 175.328 0.074 0.000 1.186 147 H CA -1.405 54.603 56.048 -0.067 0.000 1.134 147 H CB 1.641 31.326 29.762 -0.128 0.000 1.824 147 H HN 0.352 nan 8.280 nan 0.000 0.554 148 F N -0.694 119.285 119.950 0.048 0.000 2.613 148 F HA 0.594 5.124 4.527 0.005 0.000 0.310 148 F C -1.104 174.726 175.800 0.050 0.000 1.085 148 F CA -1.109 56.907 58.000 0.025 0.000 0.945 148 F CB 1.256 40.251 39.000 -0.008 0.000 1.298 148 F HN 0.513 nan 8.300 nan 0.000 0.455 149 D N 0.605 121.200 120.400 0.326 0.000 2.595 149 D HA 0.246 4.889 4.640 0.004 0.000 0.268 149 D C 0.739 177.287 176.300 0.414 0.000 1.181 149 D CA -0.377 53.751 54.000 0.214 0.000 1.085 149 D CB -0.052 40.779 40.800 0.052 0.000 1.186 149 D HN 0.486 nan 8.370 nan 0.000 0.621 150 Y N -0.208 120.220 120.300 0.213 0.000 2.165 150 Y HA -0.051 4.500 4.550 0.002 0.000 0.286 150 Y C 2.678 178.668 175.900 0.150 0.000 1.155 150 Y CA 1.593 59.750 58.100 0.094 0.000 1.164 150 Y CB -1.291 37.100 38.460 -0.114 0.000 0.978 150 Y HN 0.525 nan 8.280 nan 0.000 0.513 151 A N 0.051 123.038 122.820 0.278 0.000 1.902 151 A HA -0.185 4.138 4.320 0.004 0.000 0.217 151 A C 2.018 179.705 177.584 0.171 0.000 1.181 151 A CA 1.980 54.125 52.037 0.181 0.000 0.623 151 A CB -0.696 18.381 19.000 0.128 0.000 0.818 151 A HN 0.392 nan 8.150 nan 0.000 0.443 152 D N -0.933 119.588 120.400 0.203 0.000 2.117 152 D HA -0.142 4.500 4.640 0.004 0.000 0.198 152 D C 1.833 178.176 176.300 0.073 0.000 0.982 152 D CA 1.704 55.775 54.000 0.119 0.000 0.828 152 D CB -0.330 40.554 40.800 0.139 0.000 0.967 152 D HN 0.413 nan 8.370 nan 0.000 0.464 153 M N 1.404 121.153 119.600 0.249 0.000 2.117 153 M HA -0.153 4.330 4.480 0.004 0.000 0.262 153 M C 1.556 177.994 176.300 0.230 0.000 1.065 153 M CA 1.324 56.774 55.300 0.250 0.000 1.114 153 M CB -0.572 32.374 32.600 0.576 0.000 1.361 153 M HN -0.175 nan 8.290 nan 0.000 0.408 154 N N 0.178 119.008 118.700 0.218 0.000 2.104 154 N HA -0.174 4.568 4.740 0.004 0.000 0.190 154 N C 1.521 177.109 175.510 0.130 0.000 1.024 154 N CA 1.595 54.744 53.050 0.164 0.000 0.853 154 N CB -0.182 38.377 38.487 0.121 0.000 1.008 154 N HN 0.430 nan 8.380 nan 0.000 0.424 155 E N 0.341 120.603 120.200 0.102 0.000 2.077 155 E HA -0.114 4.238 4.350 0.004 0.000 0.193 155 E C 2.200 178.851 176.600 0.085 0.000 0.989 155 E CA 0.702 57.144 56.400 0.070 0.000 0.800 155 E CB -0.258 29.466 29.700 0.041 0.000 0.746 155 E HN 0.517 nan 8.360 nan 0.000 0.452 156 I N 1.273 121.899 120.570 0.093 0.000 2.163 156 I HA -0.322 3.851 4.170 0.004 0.000 0.243 156 I C 2.637 178.930 176.117 0.294 0.000 1.085 156 I CA 1.712 63.105 61.300 0.155 0.000 1.347 156 I CB -0.356 37.710 38.000 0.111 0.000 1.044 156 I HN 0.087 nan 8.210 nan 0.000 0.408 157 R N 1.657 122.375 120.500 0.362 0.000 2.115 157 R HA -0.101 4.241 4.340 0.004 0.000 0.230 157 R C 1.987 178.374 176.300 0.146 0.000 1.111 157 R CA 1.412 57.705 56.100 0.321 0.000 0.976 157 R CB -1.029 29.467 30.300 0.326 0.000 0.870 157 R HN 0.296 nan 8.270 nan 0.000 0.445 158 L N 0.456 121.745 121.223 0.110 0.000 2.093 158 L HA -0.101 4.241 4.340 0.004 0.000 0.208 158 L C 2.910 179.803 176.870 0.038 0.000 1.085 158 L CA 1.678 56.546 54.840 0.047 0.000 0.755 158 L CB -0.461 41.621 42.059 0.040 0.000 0.904 158 L HN 0.383 nan 8.230 nan 0.000 0.435 159 Q N -0.200 119.640 119.800 0.066 0.000 2.079 159 Q HA -0.172 4.170 4.340 0.004 0.000 0.200 159 Q C 2.360 178.399 176.000 0.065 0.000 0.974 159 Q CA 1.211 57.046 55.803 0.052 0.000 0.840 159 Q CB 0.125 28.898 28.738 0.057 0.000 0.898 159 Q HN 0.197 nan 8.270 nan 0.000 0.430 160 R N 0.620 121.191 120.500 0.118 0.000 2.075 160 R HA -0.092 4.250 4.340 0.004 0.000 0.232 160 R C 2.039 178.415 176.300 0.127 0.000 1.126 160 R CA 1.631 57.819 56.100 0.145 0.000 0.963 160 R CB -0.428 29.991 30.300 0.199 0.000 0.858 160 R HN 0.539 nan 8.270 nan 0.000 0.435 161 E N 0.276 120.510 120.200 0.057 0.000 2.077 161 E HA -0.137 4.216 4.350 0.004 0.000 0.193 161 E C 1.953 178.463 176.600 -0.150 0.000 0.989 161 E CA 1.301 57.689 56.400 -0.021 0.000 0.800 161 E CB -0.113 29.512 29.700 -0.124 0.000 0.746 161 E HN 0.173 nan 8.360 nan 0.000 0.452 162 S N 0.832 116.474 115.700 -0.097 0.000 2.348 162 S HA -0.144 4.328 4.470 0.004 0.000 0.221 162 S C 2.065 176.593 174.600 -0.119 0.000 1.033 162 S CA 0.912 59.040 58.200 -0.120 0.000 1.010 162 S CB -0.205 62.958 63.200 -0.060 0.000 0.891 162 S HN 0.156 nan 8.310 nan 0.000 0.442 163 L N 0.939 122.131 121.223 -0.050 0.000 2.046 163 L HA -0.074 4.269 4.340 0.004 0.000 0.208 163 L C 2.835 179.689 176.870 -0.026 0.000 1.077 163 L CA 1.484 56.309 54.840 -0.025 0.000 0.747 163 L CB -0.591 41.478 42.059 0.017 0.000 0.896 163 L HN 0.314 nan 8.230 nan 0.000 0.432 164 S N -0.256 115.446 115.700 0.004 0.000 2.382 164 S HA -0.183 4.289 4.470 0.004 0.000 0.228 164 S C 1.749 176.273 174.600 -0.126 0.000 1.027 164 S CA 1.489 59.739 58.200 0.084 0.000 0.991 164 S CB -0.405 63.012 63.200 0.361 0.000 0.823 164 S HN 0.419 nan 8.310 nan 0.000 0.469 165 N N 1.336 119.694 118.700 -0.570 0.000 2.166 165 N HA -0.108 4.634 4.740 0.004 0.000 0.186 165 N C 1.533 176.884 175.510 -0.266 0.000 1.019 165 N CA 1.334 53.926 53.050 -0.764 0.000 0.856 165 N CB -0.104 37.866 38.487 -0.860 0.000 0.993 165 N HN 0.517 nan 8.380 nan 0.000 0.426 166 E N -0.627 119.472 120.200 -0.169 0.000 2.122 166 E HA 0.012 4.364 4.350 0.004 0.000 0.190 166 E C 1.766 178.344 176.600 -0.036 0.000 0.977 166 E CA 0.514 56.863 56.400 -0.087 0.000 0.820 166 E CB 0.092 29.749 29.700 -0.072 0.000 0.770 166 E HN 0.370 nan 8.360 nan 0.000 0.462 167 L N 1.046 122.264 121.223 -0.008 0.000 2.270 167 L HA 0.019 4.361 4.340 0.004 0.000 0.210 167 L C 0.364 177.282 176.870 0.079 0.000 1.104 167 L CA 0.082 54.939 54.840 0.028 0.000 0.804 167 L CB -0.056 42.022 42.059 0.032 0.000 0.937 167 L HN -0.043 nan 8.230 nan 0.000 0.450 168 D N 0.390 120.878 120.400 0.147 0.000 2.399 168 D HA 0.023 4.666 4.640 0.004 0.000 0.241 168 D C -0.223 176.225 176.300 0.247 0.000 1.133 168 D CA -0.120 54.037 54.000 0.262 0.000 0.890 168 D CB 0.540 41.635 40.800 0.490 0.000 1.201 168 D HN -0.185 nan 8.370 nan 0.000 0.432 169 F N 2.265 122.299 119.950 0.141 0.000 2.629 169 F HA 0.099 4.628 4.527 0.004 0.000 0.377 169 F C -1.724 174.200 175.800 0.206 0.000 1.101 169 F CA -1.324 56.752 58.000 0.126 0.000 1.301 169 F CB 0.307 39.354 39.000 0.079 0.000 1.062 169 F HN 0.169 nan 8.300 nan 0.000 0.583 170 P HA 0.125 nan 4.420 nan 0.000 0.258 170 P C 0.355 177.795 177.300 0.234 0.000 1.172 170 P CA 1.676 64.752 63.100 -0.040 0.000 0.762 170 P CB 0.265 31.825 31.700 -0.234 0.000 0.764 171 G N 2.495 111.453 108.800 0.264 0.000 2.213 171 G HA2 -0.247 3.715 3.960 0.004 0.000 0.236 171 G HA3 -0.247 3.715 3.960 0.004 0.000 0.236 171 G C 0.895 176.018 174.900 0.373 0.000 0.991 171 G CA 0.051 45.327 45.100 0.293 0.000 0.629 171 G HN 0.562 nan 8.290 nan 0.000 0.517 172 W N 0.886 122.370 121.300 0.308 0.000 2.488 172 W HA 0.385 5.047 4.660 0.004 0.000 0.304 172 W C 0.991 177.726 176.519 0.360 0.000 1.175 172 W CA 0.656 58.199 57.345 0.331 0.000 1.365 172 W CB -0.226 29.418 29.460 0.307 0.000 1.131 172 W HN 0.201 nan 8.180 nan 0.000 0.520 173 F N 3.671 123.748 119.950 0.213 0.000 2.580 173 F HA 0.001 4.530 4.527 0.004 0.000 0.398 173 F C -0.427 175.344 175.800 -0.048 0.000 1.023 173 F CA 1.492 59.559 58.000 0.110 0.000 1.188 173 F CB 0.606 39.708 39.000 0.170 0.000 1.005 173 F HN -0.358 nan 8.300 nan 0.000 0.546 174 T N 6.564 120.605 114.554 -0.855 0.000 2.890 174 T HA 0.135 4.487 4.350 0.004 0.000 0.295 174 T C -0.618 173.585 174.700 -0.829 0.000 0.993 174 T CA -0.724 60.920 62.100 -0.759 0.000 0.979 174 T CB 1.060 69.405 68.868 -0.871 0.000 0.967 174 T HN 0.662 nan 8.240 nan 0.000 0.441 175 E N 1.817 121.628 120.200 -0.650 0.000 2.392 175 E HA 0.258 4.610 4.350 0.004 0.000 0.264 175 E C -0.351 176.198 176.600 -0.085 0.000 1.024 175 E CA -0.049 56.179 56.400 -0.288 0.000 0.903 175 E CB 0.533 30.178 29.700 -0.093 0.000 0.963 175 E HN 0.512 nan 8.360 nan 0.000 0.432 176 S N 3.432 119.226 115.700 0.156 0.000 2.359 176 S HA 0.204 4.677 4.470 0.004 0.000 0.148 176 S C 0.330 174.905 174.600 -0.043 0.000 1.610 176 S CA -0.541 57.634 58.200 -0.042 0.000 1.274 176 S CB 0.182 63.275 63.200 -0.177 0.000 1.380 176 S HN 0.532 nan 8.310 nan 0.000 0.380 177 K N 1.599 121.996 120.400 -0.005 0.000 2.057 177 K HA -0.029 4.293 4.320 0.004 0.000 0.207 177 K C -1.140 175.435 176.600 -0.041 0.000 1.049 177 K CA 1.603 57.886 56.287 -0.006 0.000 0.931 177 K CB -0.706 31.786 32.500 -0.014 0.000 0.714 177 K HN 0.391 nan 8.250 nan 0.000 0.440 178 P HA -0.160 nan 4.420 nan 0.000 0.215 178 P C 1.212 178.469 177.300 -0.073 0.000 1.157 178 P CA 1.250 64.312 63.100 -0.064 0.000 0.868 178 P CB 0.067 31.726 31.700 -0.068 0.000 0.788 179 I N -1.028 119.479 120.570 -0.104 0.000 2.233 179 I HA -0.228 3.944 4.170 0.004 0.000 0.243 179 I C 2.715 178.775 176.117 -0.094 0.000 1.093 179 I CA 1.306 62.564 61.300 -0.071 0.000 1.380 179 I CB -0.687 37.311 38.000 -0.003 0.000 1.067 179 I HN -0.020 nan 8.210 nan 0.000 0.413 180 Q N 1.370 120.998 119.800 -0.287 0.000 2.096 180 Q HA -0.218 4.124 4.340 0.004 0.000 0.204 180 Q C 1.767 177.826 176.000 0.098 0.000 0.982 180 Q CA 1.736 57.464 55.803 -0.125 0.000 0.850 180 Q CB -0.000 28.648 28.738 -0.150 0.000 0.901 180 Q HN 0.465 nan 8.270 nan 0.000 0.422 181 N N -0.362 118.371 118.700 0.056 0.000 2.494 181 N HA -0.071 4.672 4.740 0.004 0.000 0.182 181 N C 1.505 177.036 175.510 0.035 0.000 1.076 181 N CA 0.687 53.795 53.050 0.097 0.000 0.908 181 N CB 0.334 38.861 38.487 0.067 0.000 0.967 181 N HN 0.137 nan 8.380 nan 0.000 0.449 182 V N 1.462 121.340 119.914 -0.060 0.000 2.407 182 V HA -0.143 3.979 4.120 0.004 0.000 0.245 182 V C 1.909 177.746 176.094 -0.428 0.000 1.041 182 V CA 1.430 63.584 62.300 -0.242 0.000 1.040 182 V CB -0.269 31.388 31.823 -0.277 0.000 0.671 182 V HN 0.219 nan 8.190 nan 0.000 0.455 183 E N -0.055 120.055 120.200 -0.151 0.000 2.150 183 E HA -0.148 4.204 4.350 0.004 0.000 0.193 183 E C 2.357 179.202 176.600 0.409 0.000 0.985 183 E CA 1.359 57.852 56.400 0.155 0.000 0.814 183 E CB -0.145 29.822 29.700 0.445 0.000 0.752 183 E HN 0.482 nan 8.360 nan 0.000 0.466 184 S N 0.171 116.107 115.700 0.394 0.000 2.368 184 S HA -0.111 4.362 4.470 0.004 0.000 0.224 184 S C 2.051 176.951 174.600 0.499 0.000 1.029 184 S CA 1.019 59.498 58.200 0.465 0.000 0.988 184 S CB -0.411 63.061 63.200 0.455 0.000 0.838 184 S HN 0.493 nan 8.310 nan 0.000 0.462 185 G N 0.943 109.947 108.800 0.341 0.000 2.422 185 G HA2 -0.151 3.811 3.960 0.004 0.000 0.218 185 G HA3 -0.151 3.811 3.960 0.004 0.000 0.218 185 G C 1.081 176.325 174.900 0.574 0.000 1.146 185 G CA 0.497 45.824 45.100 0.378 0.000 0.769 185 G HN 0.404 nan 8.290 nan 0.000 0.547 186 F N 1.078 121.280 119.950 0.421 0.000 2.126 186 F HA 0.036 4.565 4.527 0.003 0.000 0.299 186 F C 2.654 178.726 175.800 0.453 0.000 1.096 186 F CA 0.011 58.263 58.000 0.420 0.000 1.255 186 F CB -0.757 38.509 39.000 0.445 0.000 0.997 186 F HN 0.097 nan 8.300 nan 0.000 0.479 187 I N -1.452 119.499 120.570 0.635 0.000 2.179 187 I HA -0.331 3.841 4.170 0.004 0.000 0.242 187 I C 2.342 178.574 176.117 0.192 0.000 1.088 187 I CA 1.365 62.896 61.300 0.385 0.000 1.357 187 I CB -0.624 37.366 38.000 -0.017 0.000 1.051 187 I HN -0.050 nan 8.210 nan 0.000 0.409 188 F N 0.871 120.988 119.950 0.278 0.000 2.216 188 F HA -0.182 4.349 4.527 0.005 0.000 0.300 188 F C 2.554 178.622 175.800 0.447 0.000 1.085 188 F CA 1.318 59.498 58.000 0.300 0.000 1.326 188 F CB -0.599 38.605 39.000 0.341 0.000 1.027 188 F HN 0.006 nan 8.300 nan 0.000 0.497 189 A N -0.652 122.561 122.820 0.655 0.000 1.929 189 A HA -0.094 4.229 4.320 0.004 0.000 0.216 189 A C 2.035 179.698 177.584 0.131 0.000 1.176 189 A CA 1.385 53.597 52.037 0.291 0.000 0.628 189 A CB -0.750 18.462 19.000 0.353 0.000 0.816 189 A HN 0.344 nan 8.150 nan 0.000 0.444 190 L N -0.352 120.985 121.223 0.191 0.000 2.145 190 L HA 0.081 4.423 4.340 0.004 0.000 0.201 190 L C 1.584 178.592 176.870 0.229 0.000 1.075 190 L CA 1.737 56.643 54.840 0.110 0.000 0.773 190 L CB 0.346 42.313 42.059 -0.153 0.000 0.936 190 L HN 0.315 nan 8.230 nan 0.000 0.451 191 V N -2.362 117.676 119.914 0.206 0.000 3.006 191 V HA 0.406 4.528 4.120 0.004 0.000 0.357 191 V C 0.431 176.689 176.094 0.273 0.000 1.377 191 V CA -0.043 62.450 62.300 0.321 0.000 1.198 191 V CB -0.977 31.035 31.823 0.314 0.000 1.216 191 V HN 0.334 nan 8.190 nan 0.000 0.520 192 S N -0.464 115.360 115.700 0.206 0.000 2.601 192 S HA 0.380 4.852 4.470 0.004 0.000 0.271 192 S C -0.096 174.569 174.600 0.109 0.000 1.305 192 S CA -0.304 57.965 58.200 0.115 0.000 1.022 192 S CB 1.497 64.847 63.200 0.250 0.000 0.940 192 S HN 0.419 nan 8.310 nan 0.000 0.525 193 D N 1.908 122.281 120.400 -0.044 0.000 2.367 193 D HA 0.125 4.768 4.640 0.004 0.000 0.255 193 D C 0.663 176.902 176.300 -0.101 0.000 1.300 193 D CA -0.744 53.130 54.000 -0.210 0.000 0.959 193 D CB -0.367 40.334 40.800 -0.165 0.000 1.064 193 D HN 0.556 nan 8.370 nan 0.000 0.509 194 F N 1.880 121.908 119.950 0.129 0.000 2.771 194 F HA 0.119 4.648 4.527 0.003 0.000 0.299 194 F C 1.221 177.052 175.800 0.052 0.000 1.177 194 F CA -0.136 57.894 58.000 0.049 0.000 1.450 194 F CB -1.055 37.918 39.000 -0.045 0.000 1.114 194 F HN 0.174 nan 8.300 nan 0.000 0.587 195 N N 0.397 119.174 118.700 0.128 0.000 2.446 195 N HA 0.115 4.857 4.740 0.004 0.000 0.179 195 N C 0.118 175.676 175.510 0.079 0.000 1.054 195 N CA 0.016 53.159 53.050 0.154 0.000 0.905 195 N CB 0.096 38.627 38.487 0.073 0.000 0.973 195 N HN 0.250 nan 8.380 nan 0.000 0.448 196 L N 2.019 123.265 121.223 0.038 0.000 2.349 196 L HA 0.205 4.548 4.340 0.004 0.000 0.275 196 L C -1.031 175.867 176.870 0.046 0.000 1.115 196 L CA -1.530 53.316 54.840 0.010 0.000 0.820 196 L CB 0.773 42.811 42.059 -0.035 0.000 1.135 196 L HN -0.033 nan 8.230 nan 0.000 0.445 197 P HA -0.185 nan 4.420 nan 0.000 0.218 197 P C 0.301 177.628 177.300 0.045 0.000 1.146 197 P CA 1.290 64.414 63.100 0.041 0.000 0.813 197 P CB 0.093 31.809 31.700 0.026 0.000 0.778 198 D N -1.417 119.006 120.400 0.037 0.000 2.643 198 D HA -0.026 4.616 4.640 0.004 0.000 0.244 198 D C 1.134 177.472 176.300 0.065 0.000 1.257 198 D CA -0.546 53.480 54.000 0.044 0.000 0.831 198 D CB -1.444 39.370 40.800 0.023 0.000 1.043 198 D HN 0.132 nan 8.370 nan 0.000 0.488 199 N N 1.163 119.917 118.700 0.089 0.000 2.137 199 N HA -0.200 4.542 4.740 0.004 0.000 0.190 199 N C 0.496 176.129 175.510 0.205 0.000 1.017 199 N CA 1.202 54.332 53.050 0.134 0.000 0.859 199 N CB 0.184 38.768 38.487 0.161 0.000 1.002 199 N HN 0.073 nan 8.380 nan 0.000 0.428 200 D N 0.319 120.836 120.400 0.194 0.000 2.183 200 D HA -0.080 4.563 4.640 0.004 0.000 0.203 200 D C 1.489 177.903 176.300 0.191 0.000 0.969 200 D CA 0.974 55.135 54.000 0.268 0.000 0.842 200 D CB -0.040 40.880 40.800 0.200 0.000 0.957 200 D HN 0.481 nan 8.370 nan 0.000 0.484 201 E N 0.101 120.367 120.200 0.110 0.000 2.102 201 E HA 0.046 4.398 4.350 0.004 0.000 0.190 201 E C 0.936 177.561 176.600 0.041 0.000 0.971 201 E CA 0.370 56.808 56.400 0.064 0.000 0.821 201 E CB 0.298 30.026 29.700 0.046 0.000 0.777 201 E HN 0.034 nan 8.360 nan 0.000 0.460 202 N N 0.791 119.500 118.700 0.014 0.000 2.750 202 N HA 0.130 4.873 4.740 0.004 0.000 0.253 202 N C -2.858 172.591 175.510 -0.101 0.000 1.408 202 N CA -1.487 51.519 53.050 -0.074 0.000 0.780 202 N CB 0.909 39.367 38.487 -0.049 0.000 1.191 202 N HN -0.103 nan 8.380 nan 0.000 0.511 203 P HA 0.143 nan 4.420 nan 0.000 0.271 203 P C -0.672 176.634 177.300 0.010 0.000 1.216 203 P CA -0.045 63.085 63.100 0.050 0.000 0.771 203 P CB 1.405 33.279 31.700 0.291 0.000 0.864 204 L N 3.287 124.525 121.223 0.025 0.000 2.333 204 L HA 0.368 4.710 4.340 0.004 0.000 0.280 204 L C 0.258 177.029 176.870 -0.165 0.000 1.004 204 L CA -1.346 53.468 54.840 -0.044 0.000 0.820 204 L CB 2.130 44.179 42.059 -0.016 0.000 1.247 204 L HN 0.103 nan 8.230 nan 0.000 0.416 205 V N 3.580 123.150 119.914 -0.572 0.000 2.614 205 V HA 0.203 4.325 4.120 0.004 0.000 0.291 205 V C 0.599 176.307 176.094 -0.643 0.000 1.049 205 V CA -0.325 61.501 62.300 -0.791 0.000 1.038 205 V CB 1.097 31.949 31.823 -1.618 0.000 0.980 205 V HN 0.665 nan 8.190 nan 0.000 0.481 206 R N 3.849 124.043 120.500 -0.510 0.000 2.216 206 R HA 0.368 4.710 4.340 0.004 0.000 0.332 206 R C 0.990 177.128 176.300 -0.270 0.000 1.056 206 R CA -0.318 55.357 56.100 -0.709 0.000 0.901 206 R CB 0.709 30.339 30.300 -1.117 0.000 1.039 206 R HN 0.673 nan 8.270 nan 0.000 0.456 207 I N 2.407 122.881 120.570 -0.160 0.000 2.208 207 I HA -0.344 3.828 4.170 0.004 0.000 0.245 207 I C 1.857 178.085 176.117 0.185 0.000 1.097 207 I CA 1.388 62.788 61.300 0.167 0.000 1.363 207 I CB -0.227 37.876 38.000 0.171 0.000 1.051 207 I HN 0.674 nan 8.210 nan 0.000 0.413 208 D N 0.229 120.659 120.400 0.049 0.000 2.144 208 D HA -0.243 4.400 4.640 0.004 0.000 0.199 208 D C 1.885 178.397 176.300 0.352 0.000 0.984 208 D CA 1.188 55.281 54.000 0.154 0.000 0.834 208 D CB -0.736 40.116 40.800 0.087 0.000 0.955 208 D HN 0.338 nan 8.370 nan 0.000 0.465 209 W N 0.466 121.831 121.300 0.109 0.000 2.379 209 W HA 0.005 4.666 4.660 0.002 0.000 0.307 209 W C 2.192 178.874 176.519 0.273 0.000 1.200 209 W CA -0.344 57.058 57.345 0.095 0.000 1.297 209 W CB -1.569 27.889 29.460 -0.003 0.000 1.140 209 W HN 0.115 nan 8.180 nan 0.000 0.507 210 W N 1.606 123.107 121.300 0.335 0.000 2.335 210 W HA -0.217 4.446 4.660 0.006 0.000 0.311 210 W C 2.149 178.841 176.519 0.289 0.000 1.213 210 W CA 2.115 59.633 57.345 0.288 0.000 1.274 210 W CB -0.658 28.887 29.460 0.141 0.000 1.148 210 W HN -0.117 nan 8.180 nan 0.000 0.498 211 K N -1.433 119.159 120.400 0.320 0.000 2.057 211 K HA -0.259 4.064 4.320 0.004 0.000 0.207 211 K C 2.080 178.812 176.600 0.221 0.000 1.049 211 K CA 1.833 58.262 56.287 0.236 0.000 0.931 211 K CB -0.958 31.658 32.500 0.193 0.000 0.714 211 K HN 0.130 nan 8.250 nan 0.000 0.440 212 Y N 0.388 120.792 120.300 0.173 0.000 2.114 212 Y HA -0.288 4.265 4.550 0.004 0.000 0.284 212 Y C 2.220 178.186 175.900 0.110 0.000 1.143 212 Y CA 1.537 59.707 58.100 0.118 0.000 1.135 212 Y CB -0.458 38.082 38.460 0.134 0.000 0.980 212 Y HN 0.231 nan 8.280 nan 0.000 0.499 213 W N 0.227 121.681 121.300 0.258 0.000 2.317 213 W HA -0.294 4.368 4.660 0.004 0.000 0.318 213 W C 1.893 178.463 176.519 0.085 0.000 1.227 213 W CA 2.113 59.538 57.345 0.134 0.000 1.269 213 W CB -1.397 28.164 29.460 0.168 0.000 1.155 213 W HN 0.116 nan 8.180 nan 0.000 0.484 214 F N 0.806 120.519 119.950 -0.394 0.000 2.113 214 F HA -0.169 4.360 4.527 0.003 0.000 0.297 214 F C 2.675 177.892 175.800 -0.973 0.000 1.103 214 F CA 2.423 59.942 58.000 -0.801 0.000 1.248 214 F CB -1.266 37.049 39.000 -1.143 0.000 0.999 214 F HN -0.226 nan 8.300 nan 0.000 0.475 215 T N -0.379 113.776 114.554 -0.664 0.000 2.812 215 T HA -0.126 4.226 4.350 0.004 0.000 0.264 215 T C 1.683 176.085 174.700 -0.497 0.000 1.042 215 T CA 1.472 63.023 62.100 -0.915 0.000 1.140 215 T CB -0.225 68.419 68.868 -0.374 0.000 0.870 215 T HN 0.096 nan 8.240 nan 0.000 0.445 216 N N 0.614 119.116 118.700 -0.330 0.000 2.415 216 N HA 0.040 4.782 4.740 0.004 0.000 0.176 216 N C 0.104 175.555 175.510 -0.099 0.000 1.042 216 N CA 0.206 53.101 53.050 -0.259 0.000 0.902 216 N CB 0.035 38.243 38.487 -0.466 0.000 0.986 216 N HN 0.491 nan 8.380 nan 0.000 0.447 217 E N 0.310 120.473 120.200 -0.062 0.000 2.320 217 E HA -0.176 4.176 4.350 0.004 0.000 0.234 217 E C -1.218 175.412 176.600 0.049 0.000 1.183 217 E CA 0.120 56.530 56.400 0.017 0.000 0.713 217 E CB -0.468 29.256 29.700 0.041 0.000 1.226 217 E HN 0.250 nan 8.360 nan 0.000 0.382 218 S N -0.927 114.767 115.700 -0.011 0.000 2.643 218 S HA 0.443 4.916 4.470 0.004 0.000 0.270 218 S C -1.544 172.875 174.600 -0.302 0.000 1.166 218 S CA -0.708 57.417 58.200 -0.125 0.000 0.815 218 S CB 1.025 64.305 63.200 0.134 0.000 1.139 218 S HN -0.299 nan 8.310 nan 0.000 0.472 219 F N 2.113 122.109 119.950 0.077 0.000 2.396 219 F HA 0.425 4.955 4.527 0.005 0.000 0.343 219 F C -1.784 173.677 175.800 -0.566 0.000 1.104 219 F CA -2.151 55.611 58.000 -0.396 0.000 1.161 219 F CB 0.446 39.157 39.000 -0.481 0.000 1.146 219 F HN 0.286 nan 8.300 nan 0.000 0.522 220 P HA 0.028 nan 4.420 nan 0.000 0.246 220 P C 0.424 177.445 177.300 -0.465 0.000 1.686 220 P CA 0.298 62.802 63.100 -0.994 0.000 0.867 220 P CB -0.596 30.640 31.700 -0.774 0.000 1.733 221 Y N -0.126 120.047 120.300 -0.212 0.000 2.256 221 Y HA -0.233 4.319 4.550 0.004 0.000 0.288 221 Y C 2.420 178.321 175.900 0.002 0.000 1.155 221 Y CA 1.595 59.682 58.100 -0.022 0.000 1.203 221 Y CB -0.845 37.608 38.460 -0.013 0.000 0.980 221 Y HN 0.290 nan 8.280 nan 0.000 0.530 222 H N -1.533 117.625 119.070 0.147 0.000 2.456 222 H HA -0.066 4.492 4.556 0.004 0.000 0.296 222 H C 1.580 177.009 175.328 0.168 0.000 1.079 222 H CA 0.973 57.113 56.048 0.153 0.000 1.322 222 H CB -0.124 29.730 29.762 0.153 0.000 1.388 222 H HN 0.220 nan 8.280 nan 0.000 0.538 223 L N -0.429 120.946 121.223 0.254 0.000 2.629 223 L HA 0.213 4.555 4.340 0.004 0.000 0.230 223 L C 1.545 178.725 176.870 0.517 0.000 1.151 223 L CA 0.849 55.914 54.840 0.375 0.000 0.924 223 L CB -0.235 42.106 42.059 0.470 0.000 1.137 223 L HN 0.455 nan 8.230 nan 0.000 0.457 224 G N -2.059 106.971 108.800 0.383 0.000 2.157 224 G HA2 -0.332 3.630 3.960 0.004 0.000 0.239 224 G HA3 -0.332 3.630 3.960 0.004 0.000 0.239 224 G C 0.146 175.240 174.900 0.325 0.000 0.982 224 G CA 0.131 45.471 45.100 0.400 0.000 0.650 224 G HN 0.326 nan 8.290 nan 0.000 0.527 225 W N 2.135 123.262 121.300 -0.287 0.000 2.161 225 W HA 0.620 5.283 4.660 0.005 0.000 0.344 225 W C 0.569 176.784 176.519 -0.506 0.000 1.262 225 W CA 0.791 57.572 57.345 -0.939 0.000 1.270 225 W CB 0.542 29.023 29.460 -1.632 0.000 1.126 225 W HN 0.649 nan 8.180 nan 0.000 0.598 226 H N 0.918 119.050 119.070 -1.563 0.000 3.068 226 H HA 0.510 5.068 4.556 0.003 0.000 0.342 226 H C -2.964 170.935 175.328 -2.382 0.000 1.284 226 H CA -2.590 52.465 56.048 -1.656 0.000 1.181 226 H CB 0.722 29.775 29.762 -1.181 0.000 1.898 226 H HN 0.074 nan 8.280 nan 0.000 0.540 227 P HA 0.123 nan 4.420 nan 0.000 0.266 227 P C -2.507 174.379 177.300 -0.691 0.000 1.195 227 P CA -0.701 61.791 63.100 -1.014 0.000 0.768 227 P CB 0.008 31.404 31.700 -0.507 0.000 0.838 228 P HA 0.057 nan 4.420 nan 0.000 0.266 228 P C -0.420 176.705 177.300 -0.292 0.000 1.195 228 P CA 0.618 63.473 63.100 -0.408 0.000 0.768 228 P CB 0.468 32.019 31.700 -0.250 0.000 0.838 229 S N 2.239 117.787 115.700 -0.253 0.000 2.720 229 S HA 0.498 4.970 4.470 0.004 0.000 0.278 229 S C -2.473 172.056 174.600 -0.118 0.000 1.172 229 S CA -1.194 56.916 58.200 -0.151 0.000 1.019 229 S CB 0.223 63.374 63.200 -0.081 0.000 1.049 229 S HN 0.286 nan 8.310 nan 0.000 0.483 230 P HA 0.401 nan 4.420 nan 0.000 0.272 230 P C -0.223 177.016 177.300 -0.103 0.000 1.240 230 P CA -0.531 62.517 63.100 -0.087 0.000 0.791 230 P CB 0.269 31.933 31.700 -0.060 0.000 0.978 231 A N 2.203 124.969 122.820 -0.091 0.000 2.531 231 A HA 0.099 4.421 4.320 0.004 0.000 0.236 231 A C 0.743 178.281 177.584 -0.076 0.000 1.062 231 A CA -0.188 51.797 52.037 -0.087 0.000 0.760 231 A CB -0.112 18.850 19.000 -0.063 0.000 0.995 231 A HN 0.423 nan 8.150 nan 0.000 0.501 232 R N 1.643 122.090 120.500 -0.088 0.000 2.543 232 R HA 0.244 4.586 4.340 0.004 0.000 0.277 232 R C -0.083 176.223 176.300 0.010 0.000 1.074 232 R CA 0.059 56.108 56.100 -0.085 0.000 1.076 232 R CB 0.333 30.561 30.300 -0.119 0.000 0.993 232 R HN 0.753 nan 8.270 nan 0.000 0.459 233 E N 1.355 121.593 120.200 0.063 0.000 2.249 233 E HA 0.109 4.461 4.350 0.004 0.000 0.263 233 E C 1.143 177.844 176.600 0.169 0.000 0.950 233 E CA -0.911 55.548 56.400 0.099 0.000 0.827 233 E CB 1.591 31.341 29.700 0.084 0.000 1.220 233 E HN 0.298 nan 8.360 nan 0.000 0.411 234 I N 1.679 122.337 120.570 0.147 0.000 2.315 234 I HA -0.298 3.875 4.170 0.004 0.000 0.251 234 I C 1.595 177.809 176.117 0.161 0.000 1.125 234 I CA 1.709 63.108 61.300 0.166 0.000 1.392 234 I CB -0.020 38.052 38.000 0.120 0.000 1.065 234 I HN 0.456 nan 8.210 nan 0.000 0.424 235 E N -0.177 120.108 120.200 0.142 0.000 2.085 235 E HA -0.280 4.072 4.350 0.004 0.000 0.194 235 E C 2.020 178.708 176.600 0.147 0.000 0.994 235 E CA 1.810 58.280 56.400 0.117 0.000 0.801 235 E CB -0.634 29.128 29.700 0.102 0.000 0.743 235 E HN 0.604 nan 8.360 nan 0.000 0.453 236 F N 0.311 120.305 119.950 0.072 0.000 2.102 236 F HA -0.213 4.314 4.527 0.001 0.000 0.298 236 F C 1.999 177.862 175.800 0.106 0.000 1.105 236 F CA 1.042 59.096 58.000 0.091 0.000 1.239 236 F CB -0.260 38.808 39.000 0.114 0.000 0.991 236 F HN -0.137 nan 8.300 nan 0.000 0.474 237 V N 0.399 120.541 119.914 0.380 0.000 2.255 237 V HA -0.355 3.768 4.120 0.004 0.000 0.247 237 V C 2.644 178.781 176.094 0.072 0.000 1.051 237 V CA 2.584 65.055 62.300 0.286 0.000 1.018 237 V CB -1.463 30.564 31.823 0.341 0.000 0.641 237 V HN 0.624 nan 8.190 nan 0.000 0.445 238 T N -2.833 111.745 114.554 0.039 0.000 2.867 238 T HA -0.180 4.172 4.350 0.004 0.000 0.268 238 T C 2.033 176.677 174.700 -0.093 0.000 1.057 238 T CA 1.646 63.730 62.100 -0.027 0.000 1.136 238 T CB -0.391 68.469 68.868 -0.013 0.000 0.874 238 T HN 0.389 nan 8.240 nan 0.000 0.466 239 S N 1.487 117.116 115.700 -0.118 0.000 2.356 239 S HA 0.043 4.516 4.470 0.004 0.000 0.223 239 S C 2.486 176.887 174.600 -0.333 0.000 1.032 239 S CA 1.236 59.318 58.200 -0.196 0.000 1.005 239 S CB -0.959 62.129 63.200 -0.185 0.000 0.867 239 S HN 0.737 nan 8.310 nan 0.000 0.449 240 A N 0.612 123.209 122.820 -0.372 0.000 1.902 240 A HA -0.046 4.276 4.320 0.004 0.000 0.217 240 A C 2.426 179.765 177.584 -0.408 0.000 1.181 240 A CA 2.141 53.883 52.037 -0.491 0.000 0.623 240 A CB -1.421 17.404 19.000 -0.292 0.000 0.818 240 A HN 0.632 nan 8.150 nan 0.000 0.443 241 S N -0.638 114.948 115.700 -0.191 0.000 2.359 241 S HA -0.175 4.297 4.470 0.004 0.000 0.224 241 S C 2.345 176.848 174.600 -0.162 0.000 1.035 241 S CA 2.151 60.285 58.200 -0.110 0.000 1.018 241 S CB -0.505 62.656 63.200 -0.064 0.000 0.876 241 S HN 0.620 nan 8.310 nan 0.000 0.448 242 S N 0.547 116.130 115.700 -0.196 0.000 2.368 242 S HA 0.041 4.513 4.470 0.004 0.000 0.224 242 S C 2.095 176.539 174.600 -0.260 0.000 1.029 242 S CA 1.363 59.452 58.200 -0.185 0.000 0.988 242 S CB -0.802 62.303 63.200 -0.159 0.000 0.838 242 S HN 0.715 nan 8.310 nan 0.000 0.462 243 A N 0.737 123.286 122.820 -0.451 0.000 1.933 243 A HA 0.008 4.330 4.320 0.004 0.000 0.218 243 A C 2.293 179.567 177.584 -0.515 0.000 1.175 243 A CA 1.665 53.328 52.037 -0.624 0.000 0.628 243 A CB -0.921 17.338 19.000 -1.236 0.000 0.814 243 A HN 0.447 nan 8.150 nan 0.000 0.444 244 V N 0.155 119.802 119.914 -0.445 0.000 2.261 244 V HA -0.254 3.869 4.120 0.004 0.000 0.246 244 V C 2.495 178.563 176.094 -0.044 0.000 1.047 244 V CA 2.010 64.235 62.300 -0.125 0.000 1.015 244 V CB -0.747 31.095 31.823 0.032 0.000 0.642 244 V HN 0.591 nan 8.190 nan 0.000 0.446 245 L N 0.030 121.216 121.223 -0.061 0.000 2.275 245 L HA -0.082 4.260 4.340 0.004 0.000 0.215 245 L C 2.394 179.240 176.870 -0.040 0.000 1.119 245 L CA 1.180 56.002 54.840 -0.030 0.000 0.790 245 L CB -0.600 41.438 42.059 -0.034 0.000 0.919 245 L HN 0.374 nan 8.230 nan 0.000 0.443 246 A N -0.055 122.721 122.820 -0.075 0.000 2.178 246 A HA 0.358 4.680 4.320 0.004 0.000 0.211 246 A C 1.349 178.912 177.584 -0.036 0.000 1.157 246 A CA 0.377 52.377 52.037 -0.063 0.000 0.780 246 A CB -0.232 18.712 19.000 -0.093 0.000 0.828 246 A HN 0.252 nan 8.150 nan 0.000 0.476 247 A N 0.259 123.067 122.820 -0.020 0.000 2.498 247 A HA 0.437 4.760 4.320 0.004 0.000 0.239 247 A C 0.728 178.327 177.584 0.025 0.000 1.068 247 A CA 0.341 52.391 52.037 0.021 0.000 0.766 247 A CB -0.093 18.949 19.000 0.069 0.000 1.003 247 A HN 0.457 nan 8.150 nan 0.000 0.497 248 S N 1.239 116.956 115.700 0.028 0.000 2.531 248 S HA 0.321 4.794 4.470 0.004 0.000 0.279 248 S C -0.043 174.575 174.600 0.031 0.000 1.305 248 S CA -0.497 57.717 58.200 0.023 0.000 1.058 248 S CB -0.114 63.098 63.200 0.020 0.000 0.899 248 S HN 0.648 nan 8.310 nan 0.000 0.493 249 V N 5.883 125.812 119.914 0.025 0.000 2.432 249 V HA 0.238 4.361 4.120 0.004 0.000 0.271 249 V C 1.431 177.537 176.094 0.021 0.000 1.046 249 V CA 0.130 62.445 62.300 0.026 0.000 0.945 249 V CB 0.900 32.736 31.823 0.021 0.000 0.992 249 V HN 1.094 nan 8.190 nan 0.000 0.471 250 T N -0.292 114.276 114.554 0.023 0.000 3.040 250 T HA 0.156 4.508 4.350 0.004 0.000 0.250 250 T C 0.633 175.341 174.700 0.014 0.000 1.058 250 T CA 0.294 62.405 62.100 0.018 0.000 0.988 250 T CB 0.343 69.223 68.868 0.021 0.000 0.993 250 T HN 0.537 nan 8.240 nan 0.000 0.519 251 S N 1.195 116.904 115.700 0.015 0.000 2.737 251 S HA 0.462 4.935 4.470 0.004 0.000 0.269 251 S C -0.985 173.620 174.600 0.009 0.000 1.150 251 S CA -0.533 57.673 58.200 0.010 0.000 1.077 251 S CB 1.053 64.258 63.200 0.009 0.000 1.075 251 S HN 0.312 nan 8.310 nan 0.000 0.476 252 T N 7.177 121.734 114.554 0.005 0.000 2.733 252 T HA 0.485 4.838 4.350 0.004 0.000 0.294 252 T C -2.213 172.485 174.700 -0.004 0.000 0.956 252 T CA -0.846 61.255 62.100 0.002 0.000 0.987 252 T CB 0.894 69.762 68.868 -0.001 0.000 0.920 252 T HN 0.555 nan 8.240 nan 0.000 0.470 253 P HA 0.324 nan 4.420 nan 0.000 0.275 253 P C -0.280 177.007 177.300 -0.021 0.000 1.228 253 P CA -0.489 62.603 63.100 -0.012 0.000 0.786 253 P CB 0.809 32.503 31.700 -0.011 0.000 0.927 254 S N 0.271 115.956 115.700 -0.025 0.000 2.624 254 S HA 0.198 4.670 4.470 0.004 0.000 0.263 254 S C 0.502 175.075 174.600 -0.045 0.000 1.287 254 S CA -0.152 58.030 58.200 -0.030 0.000 0.990 254 S CB 0.025 63.209 63.200 -0.026 0.000 0.950 254 S HN 0.578 nan 8.310 nan 0.000 0.561 255 S N -0.194 115.477 115.700 -0.049 0.000 3.641 255 S HA -0.153 4.319 4.470 0.004 0.000 0.346 255 S C -0.346 174.196 174.600 -0.097 0.000 1.074 255 S CA 0.082 58.241 58.200 -0.070 0.000 1.026 255 S CB -1.405 61.749 63.200 -0.078 0.000 0.908 255 S HN 0.495 nan 8.310 nan 0.000 0.479 256 L N 3.001 124.182 121.223 -0.071 0.000 2.371 256 L HA 0.461 4.804 4.340 0.004 0.000 0.272 256 L C -1.405 175.430 176.870 -0.058 0.000 1.124 256 L CA -1.437 53.360 54.840 -0.072 0.000 0.816 256 L CB -0.018 42.017 42.059 -0.040 0.000 1.129 256 L HN 0.014 nan 8.230 nan 0.000 0.448 257 P HA 0.122 nan 4.420 nan 0.000 0.271 257 P C -0.948 176.370 177.300 0.029 0.000 1.218 257 P CA -0.475 62.642 63.100 0.028 0.000 0.780 257 P CB 0.493 32.305 31.700 0.187 0.000 0.901 258 S N 0.295 116.014 115.700 0.032 0.000 2.546 258 S HA 0.321 4.793 4.470 0.004 0.000 0.290 258 S C 1.323 175.932 174.600 0.016 0.000 1.290 258 S CA 0.246 58.456 58.200 0.017 0.000 1.069 258 S CB -0.527 62.682 63.200 0.015 0.000 0.846 258 S HN 1.033 nan 8.310 nan 0.000 0.495 259 G N 1.900 110.703 108.800 0.005 0.000 2.159 259 G HA2 -0.178 3.785 3.960 0.004 0.000 0.256 259 G HA3 -0.178 3.785 3.960 0.004 0.000 0.256 259 G C 0.878 175.777 174.900 -0.002 0.000 0.977 259 G CA 0.266 45.365 45.100 -0.001 0.000 0.652 259 G HN 1.480 nan 8.290 nan 0.000 0.531 260 A N -0.311 122.509 122.820 0.001 0.000 1.877 260 A HA 0.343 4.665 4.320 0.004 0.000 0.216 260 A C 1.378 178.958 177.584 -0.005 0.000 1.186 260 A CA 1.320 53.354 52.037 -0.005 0.000 0.620 260 A CB -0.117 18.878 19.000 -0.008 0.000 0.822 260 A HN 0.856 nan 8.150 nan 0.000 0.443 261 I N 0.227 120.795 120.570 -0.003 0.000 2.379 261 I HA 0.483 4.655 4.170 0.004 0.000 0.290 261 I C 0.710 176.824 176.117 -0.005 0.000 1.063 261 I CA 0.495 61.794 61.300 -0.001 0.000 1.351 261 I CB 0.257 38.257 38.000 0.000 0.000 1.410 261 I HN 0.459 nan 8.210 nan 0.000 0.505 262 G N 7.656 116.451 108.800 -0.007 0.000 2.359 262 G HA2 0.064 4.026 3.960 0.004 0.000 0.314 262 G HA3 0.064 4.026 3.960 0.004 0.000 0.314 262 G C -3.244 171.645 174.900 -0.019 0.000 1.364 262 G CA -1.010 44.082 45.100 -0.014 0.000 0.978 262 G HN 0.365 nan 8.290 nan 0.000 0.615 263 P HA 0.454 nan 4.420 nan 0.000 0.272 263 P C 0.471 177.752 177.300 -0.032 0.000 1.223 263 P CA 0.516 63.596 63.100 -0.034 0.000 0.784 263 P CB 1.316 32.994 31.700 -0.037 0.000 0.923 264 G N 0.434 109.212 108.800 -0.036 0.000 2.489 264 G HA2 0.586 4.548 3.960 0.004 0.000 0.327 264 G HA3 0.586 4.548 3.960 0.004 0.000 0.327 264 G C -0.640 174.235 174.900 -0.042 0.000 1.189 264 G CA -0.640 44.438 45.100 -0.036 0.000 0.962 264 G HN 0.649 nan 8.290 nan 0.000 0.486 265 A N -0.111 122.683 122.820 -0.044 0.000 2.346 265 A HA 0.521 4.843 4.320 0.004 0.000 0.252 265 A C 0.548 178.102 177.584 -0.050 0.000 1.089 265 A CA -0.278 51.731 52.037 -0.047 0.000 0.797 265 A CB 0.338 19.308 19.000 -0.051 0.000 1.047 265 A HN 0.739 nan 8.150 nan 0.000 0.494 266 E N 0.445 120.616 120.200 -0.048 0.000 2.373 266 E HA 0.422 4.775 4.350 0.004 0.000 0.267 266 E C 0.152 176.719 176.600 -0.054 0.000 1.032 266 E CA -0.232 56.139 56.400 -0.048 0.000 0.889 266 E CB 0.671 30.346 29.700 -0.041 0.000 0.984 266 E HN 0.765 nan 8.360 nan 0.000 0.425 267 A N 3.702 126.489 122.820 -0.055 0.000 2.440 267 A HA 0.401 4.723 4.320 0.004 0.000 0.251 267 A C -0.096 177.447 177.584 -0.068 0.000 1.089 267 A CA -0.265 51.732 52.037 -0.066 0.000 0.779 267 A CB 0.252 19.214 19.000 -0.064 0.000 1.022 267 A HN 0.524 nan 8.150 nan 0.000 0.492 268 V N -0.156 119.706 119.914 -0.086 0.000 3.155 268 V HA 0.773 4.896 4.120 0.004 0.000 0.313 268 V C -2.960 173.066 176.094 -0.113 0.000 1.162 268 V CA -2.645 59.604 62.300 -0.086 0.000 1.048 268 V CB 1.074 32.848 31.823 -0.082 0.000 1.092 268 V HN 0.659 nan 8.190 nan 0.000 0.447 269 P HA 0.345 nan 4.420 nan 0.000 0.268 269 P C -0.466 176.742 177.300 -0.154 0.000 1.205 269 P CA -0.018 63.016 63.100 -0.111 0.000 0.771 269 P CB 0.317 31.974 31.700 -0.071 0.000 0.858 270 L N 1.336 122.454 121.223 -0.175 0.000 2.456 270 L HA 0.494 4.836 4.340 0.004 0.000 0.257 270 L C 0.742 177.402 176.870 -0.349 0.000 1.162 270 L CA 0.094 54.761 54.840 -0.288 0.000 0.808 270 L CB 0.722 42.659 42.059 -0.205 0.000 1.136 270 L HN 0.376 nan 8.230 nan 0.000 0.466 271 S N 0.695 115.996 115.700 -0.664 0.000 2.566 271 S HA 0.672 5.145 4.470 0.004 0.000 0.273 271 S C -1.330 172.738 174.600 -0.886 0.000 1.157 271 S CA -0.528 57.356 58.200 -0.527 0.000 0.938 271 S CB 0.647 63.666 63.200 -0.301 0.000 1.087 271 S HN 0.308 nan 8.310 nan 0.000 0.474 272 F N 2.259 122.100 119.950 -0.182 0.000 2.551 272 F HA 0.755 5.284 4.527 0.004 0.000 0.316 272 F C 0.557 176.266 175.800 -0.151 0.000 1.089 272 F CA -0.765 57.065 58.000 -0.283 0.000 0.915 272 F CB 1.910 40.511 39.000 -0.666 0.000 1.186 272 F HN 0.725 nan 8.300 nan 0.000 0.456 273 A N 1.162 124.012 122.820 0.050 0.000 2.401 273 A HA 0.392 4.714 4.320 0.004 0.000 0.259 273 A C 0.981 178.619 177.584 0.089 0.000 1.103 273 A CA -0.207 51.858 52.037 0.046 0.000 0.789 273 A CB 0.198 19.214 19.000 0.027 0.000 1.035 273 A HN 0.862 nan 8.150 nan 0.000 0.491 274 S N 0.909 116.656 115.700 0.078 0.000 2.440 274 S HA -0.153 4.319 4.470 0.004 0.000 0.238 274 S C 1.865 176.513 174.600 0.080 0.000 1.010 274 S CA 1.948 60.201 58.200 0.089 0.000 0.972 274 S CB -0.345 62.893 63.200 0.064 0.000 0.774 274 S HN 1.023 nan 8.310 nan 0.000 0.501 275 T N -0.930 113.662 114.554 0.063 0.000 3.081 275 T HA 0.256 4.608 4.350 0.004 0.000 0.255 275 T C 0.522 175.256 174.700 0.056 0.000 1.113 275 T CA -0.050 62.080 62.100 0.048 0.000 1.082 275 T CB -0.314 68.573 68.868 0.032 0.000 0.939 275 T HN 0.302 nan 8.240 nan 0.000 0.506 276 M N 4.309 123.964 119.600 0.092 0.000 2.188 276 M HA 0.247 4.729 4.480 0.004 0.000 0.354 276 M C -0.215 176.168 176.300 0.138 0.000 1.342 276 M CA -0.288 55.079 55.300 0.113 0.000 1.117 276 M CB 0.641 33.329 32.600 0.147 0.000 1.670 276 M HN 0.288 nan 8.290 nan 0.000 0.466 277 T N 4.424 118.988 114.554 0.017 0.000 2.856 277 T HA 0.600 4.952 4.350 0.004 0.000 0.292 277 T C -2.413 172.178 174.700 -0.180 0.000 0.980 277 T CA -1.423 60.632 62.100 -0.075 0.000 1.091 277 T CB 0.507 69.312 68.868 -0.105 0.000 0.936 277 T HN 0.539 nan 8.240 nan 0.000 0.503 278 P HA 0.325 nan 4.420 nan 0.000 0.277 278 P C -0.638 176.462 177.300 -0.333 0.000 1.240 278 P CA -0.717 62.082 63.100 -0.502 0.000 0.798 278 P CB 0.529 31.743 31.700 -0.810 0.000 0.979 279 F N 0.381 120.199 119.950 -0.220 0.000 2.450 279 F HA 0.136 4.665 4.527 0.004 0.000 0.339 279 F C 1.358 176.988 175.800 -0.283 0.000 1.146 279 F CA -0.153 57.715 58.000 -0.220 0.000 1.267 279 F CB -0.004 38.800 39.000 -0.326 0.000 1.178 279 F HN 0.066 nan 8.300 nan 0.000 0.585 280 L N 3.343 124.514 121.223 -0.085 0.000 2.426 280 L HA 0.061 4.403 4.340 0.004 0.000 0.271 280 L C -0.313 176.416 176.870 -0.235 0.000 1.169 280 L CA -0.629 54.105 54.840 -0.177 0.000 0.836 280 L CB 0.205 42.162 42.059 -0.170 0.000 1.112 280 L HN 0.279 nan 8.230 nan 0.000 0.465 281 L N 2.613 123.776 121.223 -0.100 0.000 2.395 281 L HA 0.344 4.687 4.340 0.004 0.000 0.269 281 L C 0.582 177.527 176.870 0.125 0.000 1.133 281 L CA -0.028 54.801 54.840 -0.018 0.000 0.812 281 L CB 0.831 42.880 42.059 -0.016 0.000 1.125 281 L HN 0.663 nan 8.230 nan 0.000 0.452 282 A N 1.464 124.421 122.820 0.228 0.000 2.440 282 A HA 0.404 4.726 4.320 0.004 0.000 0.251 282 A C 0.962 178.643 177.584 0.162 0.000 1.089 282 A CA 0.253 52.488 52.037 0.331 0.000 0.779 282 A CB -0.110 19.048 19.000 0.263 0.000 1.022 282 A HN 0.880 nan 8.150 nan 0.000 0.492 283 T N 0.270 114.903 114.554 0.132 0.000 3.122 283 T HA 0.071 4.423 4.350 0.004 0.000 0.250 283 T C 0.405 175.133 174.700 0.046 0.000 1.067 283 T CA -0.339 61.805 62.100 0.072 0.000 0.966 283 T CB -0.678 68.225 68.868 0.060 0.000 1.002 283 T HN 0.633 nan 8.240 nan 0.000 0.542 284 N N 2.465 121.192 118.700 0.045 0.000 2.356 284 N HA 0.266 5.009 4.740 0.004 0.000 0.252 284 N C 0.456 175.993 175.510 0.045 0.000 1.241 284 N CA 0.152 53.222 53.050 0.034 0.000 0.861 284 N CB 0.620 39.125 38.487 0.031 0.000 1.075 284 N HN 0.536 nan 8.380 nan 0.000 0.461 285 A N 3.813 126.660 122.820 0.046 0.000 2.492 285 A HA 0.168 4.491 4.320 0.004 0.000 0.236 285 A C -1.778 175.858 177.584 0.087 0.000 1.078 285 A CA -0.827 51.244 52.037 0.057 0.000 0.773 285 A CB -0.313 18.722 19.000 0.058 0.000 1.023 285 A HN 0.482 nan 8.150 nan 0.000 0.504 286 P HA 0.088 nan 4.420 nan 0.000 0.271 286 P C -0.868 176.560 177.300 0.214 0.000 1.216 286 P CA 0.214 63.393 63.100 0.131 0.000 0.776 286 P CB 0.325 32.076 31.700 0.086 0.000 0.881 287 Y N 4.957 125.316 120.300 0.098 0.000 2.336 287 Y HA 0.328 4.881 4.550 0.004 0.000 0.331 287 Y C -0.577 175.429 175.900 0.176 0.000 1.211 287 Y CA 0.059 58.211 58.100 0.087 0.000 1.346 287 Y CB 0.464 38.958 38.460 0.057 0.000 1.271 287 Y HN 0.472 nan 8.280 nan 0.000 0.538 288 Y N 2.296 122.033 120.300 -0.938 0.000 2.519 288 Y HA 0.758 5.310 4.550 0.004 0.000 0.336 288 Y C -1.024 174.310 175.900 -0.943 0.000 1.089 288 Y CA -1.793 55.862 58.100 -0.741 0.000 1.025 288 Y CB 0.279 38.582 38.460 -0.263 0.000 1.318 288 Y HN 0.885 nan 8.280 nan 0.000 0.452 289 A N 2.688 125.171 122.820 -0.562 0.000 2.546 289 A HA 0.306 4.628 4.320 0.004 0.000 0.243 289 A C 0.182 177.604 177.584 -0.271 0.000 1.063 289 A CA 0.040 51.845 52.037 -0.386 0.000 0.757 289 A CB 0.130 18.995 19.000 -0.225 0.000 0.991 289 A HN 0.938 nan 8.150 nan 0.000 0.503 290 Q N 0.170 119.814 119.800 -0.259 0.000 2.140 290 Q HA 0.119 4.461 4.340 0.004 0.000 0.227 290 Q C -0.850 175.094 176.000 -0.093 0.000 0.798 290 Q CA -0.008 55.690 55.803 -0.175 0.000 0.987 290 Q CB 0.921 29.505 28.738 -0.258 0.000 1.161 290 Q HN 0.782 nan 8.270 nan 0.000 0.480 291 D N 2.031 122.383 120.400 -0.079 0.000 2.513 291 D HA 0.182 4.824 4.640 0.004 0.000 0.295 291 D C -2.133 174.137 176.300 -0.050 0.000 1.202 291 D CA -1.299 52.672 54.000 -0.047 0.000 0.849 291 D CB 0.977 41.762 40.800 -0.025 0.000 1.116 291 D HN 0.075 nan 8.370 nan 0.000 0.502 292 P HA 0.402 nan 4.420 nan 0.000 0.287 292 P C -0.173 177.090 177.300 -0.062 0.000 1.296 292 P CA -0.446 62.626 63.100 -0.047 0.000 0.811 292 P CB 0.627 32.307 31.700 -0.033 0.000 1.211 293 T N -1.639 112.896 114.554 -0.031 0.000 2.868 293 T HA 0.450 4.802 4.350 0.004 0.000 0.292 293 T C 0.559 175.233 174.700 -0.043 0.000 1.028 293 T CA -0.740 61.357 62.100 -0.005 0.000 1.059 293 T CB 0.178 69.079 68.868 0.055 0.000 0.991 293 T HN 0.245 nan 8.240 nan 0.000 0.531 294 L N 1.440 122.612 121.223 -0.085 0.000 2.379 294 L HA 0.645 4.987 4.340 0.004 0.000 0.269 294 L C 1.159 177.994 176.870 -0.058 0.000 1.084 294 L CA -1.072 53.648 54.840 -0.201 0.000 0.802 294 L CB 0.985 42.634 42.059 -0.683 0.000 1.175 294 L HN 0.967 nan 8.230 nan 0.000 0.448 295 G N 0.520 109.308 108.800 -0.020 0.000 2.511 295 G HA2 0.408 4.370 3.960 0.004 0.000 0.316 295 G HA3 0.408 4.370 3.960 0.004 0.000 0.316 295 G C -1.747 173.224 174.900 0.118 0.000 1.210 295 G CA -1.018 44.120 45.100 0.064 0.000 0.969 295 G HN 0.483 nan 8.290 nan 0.000 0.492 296 P HA -0.109 nan 4.420 nan 0.000 0.221 296 P C 0.569 177.976 177.300 0.177 0.000 1.145 296 P CA 1.101 64.289 63.100 0.147 0.000 0.795 296 P CB 0.245 32.000 31.700 0.091 0.000 0.775 297 N N -0.784 118.024 118.700 0.180 0.000 2.235 297 N HA 0.059 4.801 4.740 0.004 0.000 0.209 297 N C 0.053 175.716 175.510 0.256 0.000 1.122 297 N CA -0.162 53.019 53.050 0.218 0.000 0.845 297 N CB 0.194 38.810 38.487 0.216 0.000 1.004 297 N HN 0.114 nan 8.380 nan 0.000 0.499 298 D N 0.000 120.533 120.400 0.222 0.000 6.856 298 D HA 0.000 4.642 4.640 0.004 0.000 0.175 298 D CA 0.000 54.134 54.000 0.224 0.000 0.868 298 D CB 0.000 40.894 40.800 0.157 0.000 0.688 298 D HN 0.000 nan 8.370 nan 0.000 0.683