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 1v1b_1_C DATA FIRST_RESID 1 DATA SEQUENCE MLEVVTAGEP LVALVPQEPG HLRGKRLLEV YVGGAEVNVA VALARLGVKV DATA SEQUENCE GFVGRVGEDE LGAMVEERLR AEGVDLTHFR RAPGFTGLYL REYLPLGQGR DATA SEQUENCE VFYYRKGSAG SALAPGAFDP DYLEGVRFLH LSGITPALSP EARAFSLWAM DATA SEQUENCE EEAKRRGVRV SLDVNYRQTL WSPEEARGFL ERALPGVDLL FLSEEEAELL DATA SEQUENCE FGRVEEALRA LSAPEVVLKR GAKGAWAFVD GRRVEGSAFA VEAVDPVGAG DATA SEQUENCE DAFAAGYLAG AVWGLPVEER LRLANLLGAS VAASRGDHEG APYREDLEVL DATA SEQUENCE L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.311 176.300 0.018 0.000 1.140 1 M CA 0.000 55.319 55.300 0.031 0.000 0.988 1 M CB 0.000 32.616 32.600 0.026 0.000 1.302 2 L N 4.107 125.327 121.223 -0.004 0.000 2.467 2 L HA 0.115 4.455 4.340 -0.000 0.000 0.270 2 L C 0.949 177.804 176.870 -0.025 0.000 1.205 2 L CA 0.460 55.282 54.840 -0.030 0.000 0.828 2 L CB 0.581 42.572 42.059 -0.113 0.000 1.101 2 L HN 0.822 nan 8.230 nan 0.000 0.479 3 E N 0.916 121.110 120.200 -0.011 0.000 2.256 3 E HA 0.129 4.479 4.350 -0.000 0.000 0.198 3 E C -0.603 176.003 176.600 0.010 0.000 0.908 3 E CA 0.327 56.730 56.400 0.004 0.000 0.915 3 E CB 0.821 30.536 29.700 0.025 0.000 0.890 3 E HN 0.381 nan 8.360 nan 0.000 0.484 4 V N 1.612 121.529 119.914 0.004 0.000 2.789 4 V HA 0.407 4.527 4.120 -0.000 0.000 0.311 4 V C -0.571 175.510 176.094 -0.022 0.000 1.073 4 V CA -0.973 61.346 62.300 0.031 0.000 0.921 4 V CB 2.288 34.141 31.823 0.050 0.000 1.009 4 V HN -0.128 nan 8.190 nan 0.000 0.426 5 V N 2.156 122.056 119.914 -0.023 0.000 2.577 5 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 5 V C -0.165 175.921 176.094 -0.013 0.000 1.042 5 V CA -0.237 62.011 62.300 -0.087 0.000 0.872 5 V CB 1.941 33.603 31.823 -0.268 0.000 0.998 5 V HN 0.996 nan 8.190 nan 0.000 0.423 6 T N 2.762 117.320 114.554 0.007 0.000 2.930 6 T HA 0.928 5.278 4.350 -0.000 0.000 0.290 6 T C -0.772 173.805 174.700 -0.204 0.000 1.052 6 T CA 0.165 62.287 62.100 0.036 0.000 1.017 6 T CB 1.886 70.878 68.868 0.207 0.000 1.137 6 T HN 1.297 nan 8.240 nan 0.000 0.511 7 A N 0.625 123.332 122.820 -0.187 0.000 2.594 7 A HA 0.959 5.279 4.320 -0.000 0.000 0.295 7 A C -0.047 177.434 177.584 -0.172 0.000 1.071 7 A CA 0.014 51.795 52.037 -0.425 0.000 0.685 7 A CB 1.319 20.276 19.000 -0.072 0.000 1.285 7 A HN 1.649 nan 8.150 nan 0.000 0.405 8 G N -0.291 108.376 108.800 -0.222 0.000 2.344 8 G HA2 0.470 4.429 3.960 -0.000 0.000 0.282 8 G HA3 0.470 4.429 3.960 -0.000 0.000 0.282 8 G C -1.336 173.634 174.900 0.117 0.000 1.281 8 G CA -0.023 45.077 45.100 -0.001 0.000 0.877 8 G HN 1.153 nan 8.290 nan 0.000 0.494 9 E N 0.706 120.970 120.200 0.106 0.000 2.134 9 E HA 0.640 4.990 4.350 -0.000 0.000 0.278 9 E C -2.464 174.239 176.600 0.172 0.000 0.959 9 E CA -1.586 54.877 56.400 0.105 0.000 0.783 9 E CB 1.709 31.399 29.700 -0.016 0.000 1.095 9 E HN 0.172 nan 8.360 nan 0.000 0.399 10 P HA 0.261 nan 4.420 nan 0.000 0.277 10 P C -1.048 176.339 177.300 0.146 0.000 1.240 10 P CA -0.292 62.897 63.100 0.148 0.000 0.798 10 P CB 0.770 32.568 31.700 0.164 0.000 0.979 11 L N 0.795 122.122 121.223 0.173 0.000 2.376 11 L HA 0.522 4.862 4.340 -0.000 0.000 0.258 11 L C -0.971 176.068 176.870 0.281 0.000 1.013 11 L CA -1.238 53.755 54.840 0.255 0.000 0.822 11 L CB 2.422 44.677 42.059 0.327 0.000 1.388 11 L HN 0.003 nan 8.230 nan 0.000 0.413 12 V N 1.269 121.350 119.914 0.278 0.000 2.398 12 V HA 0.638 4.758 4.120 -0.000 0.000 0.286 12 V C 0.139 176.279 176.094 0.078 0.000 1.026 12 V CA -0.626 61.778 62.300 0.173 0.000 0.868 12 V CB 1.381 33.268 31.823 0.108 0.000 0.982 12 V HN 0.772 nan 8.190 nan 0.000 0.443 13 A N 6.256 129.056 122.820 -0.032 0.000 2.274 13 A HA 0.797 5.116 4.320 -0.000 0.000 0.309 13 A C -0.587 176.850 177.584 -0.245 0.000 1.226 13 A CA -0.469 51.302 52.037 -0.443 0.000 0.853 13 A CB 0.432 19.268 19.000 -0.272 0.000 1.146 13 A HN 0.824 nan 8.150 nan 0.000 0.518 14 L N 3.829 124.854 121.223 -0.331 0.000 2.280 14 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 14 L C -0.946 175.852 176.870 -0.119 0.000 1.023 14 L CA -0.640 54.099 54.840 -0.170 0.000 0.819 14 L CB 1.417 43.387 42.059 -0.149 0.000 1.212 14 L HN 0.445 nan 8.230 nan 0.000 0.420 15 V N 4.564 124.466 119.914 -0.021 0.000 2.656 15 V HA 0.463 4.583 4.120 -0.000 0.000 0.307 15 V C -2.138 173.985 176.094 0.049 0.000 1.051 15 V CA -1.720 60.609 62.300 0.049 0.000 0.893 15 V CB 2.163 34.084 31.823 0.165 0.000 0.999 15 V HN 0.570 nan 8.190 nan 0.000 0.426 16 P HA 0.162 nan 4.420 nan 0.000 0.272 16 P C 0.180 177.514 177.300 0.057 0.000 1.240 16 P CA -0.166 62.957 63.100 0.038 0.000 0.791 16 P CB 0.990 32.712 31.700 0.038 0.000 0.978 17 Q N -0.021 119.800 119.800 0.036 0.000 2.167 17 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 17 Q C 0.893 176.917 176.000 0.041 0.000 0.970 17 Q CA 1.562 57.388 55.803 0.038 0.000 0.855 17 Q CB 0.204 28.953 28.738 0.018 0.000 0.911 17 Q HN 0.645 nan 8.270 nan 0.000 0.438 18 E N -0.514 119.709 120.200 0.039 0.000 2.459 18 E HA 0.472 4.822 4.350 -0.000 0.000 0.275 18 E C -2.776 173.852 176.600 0.046 0.000 0.987 18 E CA -2.397 54.024 56.400 0.035 0.000 0.828 18 E CB 0.255 29.967 29.700 0.020 0.000 1.428 18 E HN -0.255 nan 8.360 nan 0.000 0.457 19 P HA 0.388 nan 4.420 nan 0.000 0.271 19 P C -0.258 177.046 177.300 0.006 0.000 1.238 19 P CA 1.125 64.252 63.100 0.045 0.000 0.794 19 P CB 0.175 31.890 31.700 0.024 0.000 0.959 20 G N -1.098 107.676 108.800 -0.042 0.000 2.428 20 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.681 20 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.681 20 G C -1.282 173.556 174.900 -0.104 0.000 1.340 20 G CA -0.946 44.087 45.100 -0.112 0.000 0.915 20 G HN 0.565 nan 8.290 nan 0.000 0.645 21 H N 0.909 120.005 119.070 0.044 0.000 2.928 21 H HA 0.117 4.673 4.556 -0.000 0.000 0.338 21 H C 1.691 177.030 175.328 0.018 0.000 1.047 21 H CA 0.203 56.275 56.048 0.040 0.000 1.435 21 H CB 1.279 31.060 29.762 0.031 0.000 1.428 21 H HN 0.368 nan 8.280 nan 0.000 0.590 22 L N 3.871 125.171 121.223 0.129 0.000 2.013 22 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 22 L C 2.778 179.644 176.870 -0.007 0.000 1.073 22 L CA 1.864 56.719 54.840 0.024 0.000 0.753 22 L CB -0.566 41.454 42.059 -0.066 0.000 0.890 22 L HN 0.685 nan 8.230 nan 0.000 0.432 23 R N -1.001 119.494 120.500 -0.008 0.000 2.211 23 R HA -0.128 4.212 4.340 -0.000 0.000 0.240 23 R C 1.706 178.003 176.300 -0.004 0.000 1.144 23 R CA 1.507 57.590 56.100 -0.028 0.000 0.992 23 R CB -0.986 29.292 30.300 -0.036 0.000 0.869 23 R HN 0.403 nan 8.270 nan 0.000 0.462 24 G N 0.685 109.503 108.800 0.030 0.000 3.088 24 G HA2 0.060 4.020 3.960 -0.000 0.000 0.217 24 G HA3 0.060 4.020 3.960 -0.000 0.000 0.217 24 G C -0.171 174.737 174.900 0.013 0.000 1.159 24 G CA -0.448 44.668 45.100 0.027 0.000 0.760 24 G HN 0.029 nan 8.290 nan 0.000 0.550 25 K N 0.532 120.935 120.400 0.004 0.000 2.185 25 K HA 0.423 4.743 4.320 -0.000 0.000 0.271 25 K C 0.414 177.003 176.600 -0.018 0.000 1.013 25 K CA -0.402 55.882 56.287 -0.005 0.000 0.943 25 K CB 1.627 34.123 32.500 -0.006 0.000 0.998 25 K HN -0.006 nan 8.250 nan 0.000 0.468 26 R N 0.540 121.029 120.500 -0.018 0.000 2.446 26 R HA 0.349 4.689 4.340 -0.000 0.000 0.254 26 R C 0.031 176.313 176.300 -0.031 0.000 0.918 26 R CA 0.051 56.136 56.100 -0.025 0.000 1.069 26 R CB 0.261 30.549 30.300 -0.020 0.000 1.194 26 R HN 0.311 nan 8.270 nan 0.000 0.534 27 L N 0.722 121.927 121.223 -0.030 0.000 2.422 27 L HA 0.576 4.916 4.340 -0.000 0.000 0.264 27 L C -1.135 175.712 176.870 -0.040 0.000 0.984 27 L CA -0.822 53.996 54.840 -0.037 0.000 0.819 27 L CB 2.456 44.496 42.059 -0.031 0.000 1.330 27 L HN -0.139 nan 8.230 nan 0.000 0.410 28 L N 1.766 122.955 121.223 -0.057 0.000 2.401 28 L HA 0.494 4.834 4.340 -0.000 0.000 0.266 28 L C -0.498 176.313 176.870 -0.097 0.000 0.991 28 L CA -0.641 54.161 54.840 -0.065 0.000 0.818 28 L CB 2.647 44.660 42.059 -0.076 0.000 1.321 28 L HN 0.572 nan 8.230 nan 0.000 0.413 29 E N 1.694 121.832 120.200 -0.104 0.000 2.283 29 E HA 0.345 4.695 4.350 -0.000 0.000 0.278 29 E C -1.062 175.340 176.600 -0.329 0.000 1.027 29 E CA -0.585 55.676 56.400 -0.230 0.000 0.843 29 E CB 2.109 31.708 29.700 -0.169 0.000 1.062 29 E HN 0.196 nan 8.360 nan 0.000 0.401 30 V N 4.220 123.863 119.914 -0.452 0.000 2.370 30 V HA 0.282 4.402 4.120 -0.000 0.000 0.279 30 V C -0.844 174.930 176.094 -0.532 0.000 1.029 30 V CA -0.541 61.547 62.300 -0.353 0.000 0.870 30 V CB -0.240 31.452 31.823 -0.218 0.000 0.984 30 V HN 0.545 nan 8.190 nan 0.000 0.451 31 Y N 2.182 122.446 120.300 -0.061 0.000 2.576 31 Y HA 0.636 5.186 4.550 -0.000 0.000 0.346 31 Y C -0.046 175.854 175.900 0.001 0.000 1.018 31 Y CA -1.214 56.856 58.100 -0.050 0.000 1.050 31 Y CB 2.265 40.682 38.460 -0.071 0.000 1.280 31 Y HN 0.393 nan 8.280 nan 0.000 0.474 32 V N 2.142 122.194 119.914 0.231 0.000 2.348 32 V HA 0.767 4.887 4.120 -0.000 0.000 0.270 32 V C 0.341 176.598 176.094 0.272 0.000 1.037 32 V CA -0.285 62.143 62.300 0.214 0.000 0.872 32 V CB 0.239 32.189 31.823 0.211 0.000 1.002 32 V HN 0.929 nan 8.190 nan 0.000 0.464 33 G N 2.420 111.376 108.800 0.259 0.000 3.119 33 G HA2 0.828 4.787 3.960 -0.000 0.000 0.206 33 G HA3 0.828 4.787 3.960 -0.000 0.000 0.206 33 G C 0.065 175.072 174.900 0.179 0.000 1.313 33 G CA -0.727 44.538 45.100 0.276 0.000 1.010 33 G HN 1.661 nan 8.290 nan 0.000 0.578 34 G N -2.056 106.838 108.800 0.157 0.000 3.435 34 G HA2 0.424 4.384 3.960 -0.000 0.000 0.683 34 G HA3 0.424 4.384 3.960 -0.000 0.000 0.683 34 G C 0.741 175.690 174.900 0.082 0.000 1.189 34 G CA 0.504 45.663 45.100 0.098 0.000 1.069 34 G HN 1.770 nan 8.290 nan 0.000 0.508 35 A N 2.176 125.046 122.820 0.083 0.000 1.883 35 A HA -0.198 4.122 4.320 -0.000 0.000 0.222 35 A C 2.127 179.783 177.584 0.120 0.000 1.339 35 A CA 2.782 54.874 52.037 0.093 0.000 0.692 35 A CB -0.614 18.443 19.000 0.095 0.000 0.845 35 A HN 1.122 nan 8.150 nan 0.000 0.467 36 E N -0.759 119.565 120.200 0.206 0.000 2.265 36 E HA -0.043 4.307 4.350 -0.000 0.000 0.196 36 E C 1.848 178.600 176.600 0.255 0.000 0.996 36 E CA 0.977 57.569 56.400 0.319 0.000 0.832 36 E CB -0.277 29.694 29.700 0.451 0.000 0.756 36 E HN 0.432 nan 8.360 nan 0.000 0.491 37 V N 1.383 121.315 119.914 0.030 0.000 2.379 37 V HA -0.227 3.893 4.120 -0.000 0.000 0.245 37 V C 1.700 177.620 176.094 -0.289 0.000 1.044 37 V CA 1.546 63.630 62.300 -0.359 0.000 1.036 37 V CB -0.466 31.125 31.823 -0.386 0.000 0.664 37 V HN 0.303 nan 8.190 nan 0.000 0.453 38 N N 0.649 119.258 118.700 -0.151 0.000 2.120 38 N HA -0.130 4.610 4.740 -0.000 0.000 0.188 38 N C 1.823 177.237 175.510 -0.160 0.000 1.024 38 N CA 1.506 54.462 53.050 -0.157 0.000 0.852 38 N CB -0.558 37.935 38.487 0.010 0.000 1.003 38 N HN 0.385 nan 8.380 nan 0.000 0.424 39 V N 1.629 121.487 119.914 -0.094 0.000 2.343 39 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 39 V C 2.484 178.513 176.094 -0.109 0.000 1.051 39 V CA 1.676 63.906 62.300 -0.117 0.000 1.036 39 V CB -1.044 30.710 31.823 -0.115 0.000 0.654 39 V HN 0.278 nan 8.190 nan 0.000 0.451 40 A N 0.109 122.890 122.820 -0.065 0.000 1.865 40 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 40 A C 2.416 179.919 177.584 -0.135 0.000 1.191 40 A CA 2.309 54.317 52.037 -0.049 0.000 0.623 40 A CB -0.820 18.180 19.000 0.000 0.000 0.826 40 A HN 0.324 nan 8.150 nan 0.000 0.444 41 V N -0.100 119.666 119.914 -0.247 0.000 2.295 41 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 41 V C 3.080 179.061 176.094 -0.188 0.000 1.049 41 V CA 1.979 64.121 62.300 -0.263 0.000 1.024 41 V CB -1.361 30.157 31.823 -0.508 0.000 0.648 41 V HN 0.638 nan 8.190 nan 0.000 0.447 42 A N -0.416 122.293 122.820 -0.186 0.000 1.917 42 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 42 A C 2.254 179.754 177.584 -0.140 0.000 1.182 42 A CA 2.072 54.016 52.037 -0.155 0.000 0.633 42 A CB -0.574 18.342 19.000 -0.140 0.000 0.819 42 A HN 0.502 nan 8.150 nan 0.000 0.448 43 L N -1.186 119.957 121.223 -0.132 0.000 2.109 43 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 43 L C 3.103 179.937 176.870 -0.061 0.000 1.086 43 L CA 0.877 55.647 54.840 -0.118 0.000 0.760 43 L CB -0.452 41.535 42.059 -0.120 0.000 0.910 43 L HN 0.455 nan 8.230 nan 0.000 0.437 44 A N 0.021 122.809 122.820 -0.054 0.000 1.902 44 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 44 A C 2.325 179.916 177.584 0.011 0.000 1.181 44 A CA 1.465 53.493 52.037 -0.014 0.000 0.623 44 A CB -0.498 18.486 19.000 -0.027 0.000 0.818 44 A HN 0.303 nan 8.150 nan 0.000 0.443 45 R N -0.653 119.825 120.500 -0.036 0.000 2.159 45 R HA -0.013 4.327 4.340 -0.000 0.000 0.237 45 R C 1.331 177.657 176.300 0.044 0.000 1.131 45 R CA 1.134 57.212 56.100 -0.036 0.000 0.982 45 R CB -0.350 29.770 30.300 -0.299 0.000 0.868 45 R HN 0.506 nan 8.270 nan 0.000 0.453 46 L N -0.658 120.591 121.223 0.043 0.000 2.591 46 L HA 0.176 4.516 4.340 -0.000 0.000 0.228 46 L C 1.085 178.104 176.870 0.249 0.000 1.133 46 L CA 0.400 55.332 54.840 0.153 0.000 0.880 46 L CB 0.282 42.414 42.059 0.123 0.000 1.033 46 L HN 0.452 nan 8.230 nan 0.000 0.450 47 G N 0.074 108.975 108.800 0.167 0.000 2.176 47 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.253 47 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.253 47 G C 0.257 175.265 174.900 0.181 0.000 0.979 47 G CA -0.019 45.186 45.100 0.175 0.000 0.641 47 G HN 0.107 nan 8.290 nan 0.000 0.530 48 V N 1.419 121.415 119.914 0.135 0.000 2.555 48 V HA 0.256 4.376 4.120 -0.000 0.000 0.286 48 V C 1.006 177.129 176.094 0.049 0.000 1.044 48 V CA -0.068 62.279 62.300 0.079 0.000 1.026 48 V CB 1.297 33.085 31.823 -0.057 0.000 0.981 48 V HN 0.322 nan 8.190 nan 0.000 0.480 49 K N 3.978 124.411 120.400 0.056 0.000 2.363 49 K HA 0.388 4.708 4.320 -0.000 0.000 0.289 49 K C -0.556 176.054 176.600 0.016 0.000 1.063 49 K CA 0.119 56.430 56.287 0.040 0.000 0.967 49 K CB 0.990 33.516 32.500 0.042 0.000 0.987 49 K HN 0.453 nan 8.250 nan 0.000 0.473 50 V N 1.972 121.895 119.914 0.015 0.000 2.925 50 V HA 0.765 4.885 4.120 -0.000 0.000 0.311 50 V C -0.585 175.530 176.094 0.034 0.000 1.104 50 V CA -0.467 61.839 62.300 0.009 0.000 0.954 50 V CB 2.122 33.949 31.823 0.007 0.000 1.022 50 V HN 0.819 nan 8.190 nan 0.000 0.427 51 G N 3.379 112.197 108.800 0.031 0.000 2.481 51 G HA2 0.704 4.664 3.960 -0.000 0.000 0.315 51 G HA3 0.704 4.664 3.960 -0.000 0.000 0.315 51 G C -1.943 173.068 174.900 0.186 0.000 1.231 51 G CA -0.609 44.565 45.100 0.124 0.000 0.968 51 G HN 0.764 nan 8.290 nan 0.000 0.482 52 F N 1.904 121.916 119.950 0.102 0.000 2.493 52 F HA 0.601 5.127 4.527 -0.000 0.000 0.329 52 F C -0.499 175.429 175.800 0.214 0.000 1.126 52 F CA -0.809 57.245 58.000 0.090 0.000 0.937 52 F CB 2.210 41.188 39.000 -0.038 0.000 1.146 52 F HN 0.343 nan 8.300 nan 0.000 0.442 53 V N 5.387 124.979 119.914 -0.536 0.000 2.398 53 V HA 0.955 5.075 4.120 -0.000 0.000 0.286 53 V C 0.172 176.030 176.094 -0.394 0.000 1.026 53 V CA -0.105 62.050 62.300 -0.240 0.000 0.868 53 V CB 0.546 32.250 31.823 -0.199 0.000 0.982 53 V HN 1.103 nan 8.190 nan 0.000 0.443 54 G N 4.011 112.847 108.800 0.060 0.000 2.328 54 G HA2 0.622 4.582 3.960 -0.000 0.000 0.295 54 G HA3 0.622 4.582 3.960 -0.000 0.000 0.295 54 G C -1.867 172.998 174.900 -0.058 0.000 1.413 54 G CA -0.984 44.169 45.100 0.089 0.000 0.817 54 G HN 0.529 nan 8.290 nan 0.000 0.546 55 R N -1.498 118.925 120.500 -0.128 0.000 2.854 55 R HA 0.864 5.204 4.340 -0.000 0.000 0.271 55 R C -0.053 176.119 176.300 -0.212 0.000 0.994 55 R CA -0.508 55.414 56.100 -0.296 0.000 0.945 55 R CB 2.059 32.230 30.300 -0.215 0.000 1.194 55 R HN 1.166 nan 8.270 nan 0.000 0.476 56 V N -1.614 118.147 119.914 -0.255 0.000 3.160 56 V HA 0.891 5.011 4.120 -0.000 0.000 0.310 56 V C 0.319 176.344 176.094 -0.114 0.000 1.181 56 V CA -1.097 61.133 62.300 -0.117 0.000 1.047 56 V CB 1.733 33.544 31.823 -0.020 0.000 1.068 56 V HN 0.736 nan 8.190 nan 0.000 0.441 57 G N -0.623 108.139 108.800 -0.063 0.000 2.599 57 G HA2 0.446 4.406 3.960 -0.000 0.000 0.264 57 G HA3 0.446 4.406 3.960 -0.000 0.000 0.264 57 G C -0.116 174.781 174.900 -0.005 0.000 1.200 57 G CA -0.405 44.673 45.100 -0.036 0.000 0.896 57 G HN 0.911 nan 8.290 nan 0.000 0.536 58 E N 0.248 120.452 120.200 0.007 0.000 2.354 58 E HA 0.139 4.489 4.350 -0.000 0.000 0.260 58 E C -0.443 176.177 176.600 0.033 0.000 1.405 58 E CA -0.318 56.089 56.400 0.012 0.000 1.728 58 E CB 0.023 29.726 29.700 0.005 0.000 1.471 58 E HN 0.565 nan 8.360 nan 0.000 0.441 59 D N -1.766 118.662 120.400 0.047 0.000 2.689 59 D HA 0.116 4.756 4.640 -0.000 0.000 0.255 59 D C 0.879 177.208 176.300 0.048 0.000 1.113 59 D CA -0.614 53.417 54.000 0.053 0.000 1.115 59 D CB 0.394 41.240 40.800 0.077 0.000 1.334 59 D HN -0.230 nan 8.370 nan 0.000 0.621 60 E N -0.446 119.779 120.200 0.042 0.000 2.152 60 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 60 E C 2.008 178.635 176.600 0.045 0.000 0.983 60 E CA 0.500 56.922 56.400 0.036 0.000 0.818 60 E CB -0.131 29.582 29.700 0.021 0.000 0.758 60 E HN 0.438 nan 8.360 nan 0.000 0.467 61 L N 0.034 121.291 121.223 0.055 0.000 2.109 61 L HA -0.037 4.303 4.340 -0.000 0.000 0.207 61 L C 2.430 179.352 176.870 0.087 0.000 1.086 61 L CA 1.182 56.062 54.840 0.067 0.000 0.760 61 L CB -0.730 41.378 42.059 0.082 0.000 0.910 61 L HN 0.175 nan 8.230 nan 0.000 0.437 62 G N -0.232 108.621 108.800 0.088 0.000 2.418 62 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.217 62 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.217 62 G C 1.787 176.758 174.900 0.118 0.000 1.158 62 G CA 0.807 45.966 45.100 0.098 0.000 0.771 62 G HN 0.449 nan 8.290 nan 0.000 0.545 63 A N 0.684 123.557 122.820 0.088 0.000 1.877 63 A HA -0.014 4.306 4.320 -0.000 0.000 0.216 63 A C 2.343 179.979 177.584 0.087 0.000 1.186 63 A CA 1.939 54.028 52.037 0.087 0.000 0.620 63 A CB -0.474 18.561 19.000 0.058 0.000 0.822 63 A HN 0.393 nan 8.150 nan 0.000 0.443 64 M N -0.113 119.529 119.600 0.070 0.000 2.106 64 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 64 M C 1.961 178.302 176.300 0.069 0.000 1.068 64 M CA 2.212 57.547 55.300 0.058 0.000 1.100 64 M CB -0.319 32.309 32.600 0.045 0.000 1.351 64 M HN 0.233 nan 8.290 nan 0.000 0.404 65 V N 0.563 120.534 119.914 0.096 0.000 2.287 65 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 65 V C 2.236 178.362 176.094 0.054 0.000 1.053 65 V CA 2.426 64.781 62.300 0.091 0.000 1.027 65 V CB -0.979 30.946 31.823 0.172 0.000 0.646 65 V HN 0.589 nan 8.190 nan 0.000 0.447 66 E N -0.177 120.121 120.200 0.163 0.000 2.085 66 E HA -0.250 4.099 4.350 -0.000 0.000 0.194 66 E C 2.280 178.904 176.600 0.040 0.000 0.994 66 E CA 1.545 58.049 56.400 0.172 0.000 0.801 66 E CB -0.009 29.862 29.700 0.285 0.000 0.743 66 E HN 0.659 nan 8.360 nan 0.000 0.453 67 E N 0.278 120.508 120.200 0.049 0.000 2.031 67 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 67 E C 2.208 178.812 176.600 0.006 0.000 0.994 67 E CA 1.111 57.529 56.400 0.030 0.000 0.800 67 E CB -0.420 29.302 29.700 0.036 0.000 0.752 67 E HN 0.126 nan 8.360 nan 0.000 0.447 68 R N 1.360 121.863 120.500 0.005 0.000 2.094 68 R HA -0.123 4.217 4.340 -0.000 0.000 0.239 68 R C 2.550 178.816 176.300 -0.057 0.000 1.137 68 R CA 1.239 57.342 56.100 0.005 0.000 0.943 68 R CB -0.682 29.641 30.300 0.037 0.000 0.850 68 R HN 0.151 nan 8.270 nan 0.000 0.433 69 L N 0.087 121.221 121.223 -0.149 0.000 2.046 69 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 69 L C 2.814 179.599 176.870 -0.141 0.000 1.077 69 L CA 1.982 56.678 54.840 -0.240 0.000 0.747 69 L CB -0.528 41.239 42.059 -0.485 0.000 0.896 69 L HN 0.329 nan 8.230 nan 0.000 0.432 70 R N 0.654 121.100 120.500 -0.090 0.000 2.073 70 R HA -0.094 4.246 4.340 -0.000 0.000 0.229 70 R C 2.330 178.626 176.300 -0.006 0.000 1.120 70 R CA 1.362 57.444 56.100 -0.030 0.000 0.967 70 R CB -0.408 29.893 30.300 0.002 0.000 0.862 70 R HN 0.205 nan 8.270 nan 0.000 0.436 71 A N 1.340 124.161 122.820 0.001 0.000 1.908 71 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 71 A C 1.820 179.422 177.584 0.029 0.000 1.181 71 A CA 1.579 53.629 52.037 0.021 0.000 0.627 71 A CB -0.413 18.606 19.000 0.031 0.000 0.818 71 A HN 0.455 nan 8.150 nan 0.000 0.445 72 E N -1.121 119.087 120.200 0.012 0.000 2.478 72 E HA 0.097 4.447 4.350 -0.000 0.000 0.198 72 E C 1.144 177.751 176.600 0.012 0.000 1.046 72 E CA 0.702 57.113 56.400 0.018 0.000 0.870 72 E CB -0.349 29.335 29.700 -0.027 0.000 0.818 72 E HN 0.852 nan 8.360 nan 0.000 0.527 73 G N 1.148 109.951 108.800 0.006 0.000 2.171 73 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.238 73 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.238 73 G C 0.269 175.174 174.900 0.008 0.000 1.039 73 G CA 0.325 45.435 45.100 0.016 0.000 0.759 73 G HN 0.133 nan 8.290 nan 0.000 0.501 74 V N -0.037 119.866 119.914 -0.018 0.000 2.607 74 V HA 0.473 4.593 4.120 -0.000 0.000 0.289 74 V C 0.620 176.730 176.094 0.027 0.000 1.053 74 V CA -0.294 61.999 62.300 -0.011 0.000 0.996 74 V CB 1.791 33.572 31.823 -0.070 0.000 0.995 74 V HN 0.423 nan 8.190 nan 0.000 0.476 75 D N 3.257 123.704 120.400 0.078 0.000 2.325 75 D HA 0.255 4.895 4.640 -0.000 0.000 0.251 75 D C 0.255 176.662 176.300 0.179 0.000 1.196 75 D CA 0.040 54.117 54.000 0.128 0.000 0.866 75 D CB 0.584 41.484 40.800 0.167 0.000 1.101 75 D HN 0.474 nan 8.370 nan 0.000 0.476 76 L N 3.843 125.154 121.223 0.148 0.000 3.034 76 L HA 0.153 4.493 4.340 -0.000 0.000 0.245 76 L C 1.727 178.703 176.870 0.176 0.000 1.295 76 L CA -0.266 54.703 54.840 0.215 0.000 1.068 76 L CB 0.029 42.207 42.059 0.199 0.000 1.426 76 L HN 0.461 nan 8.230 nan 0.000 0.531 77 T N -1.126 113.484 114.554 0.093 0.000 2.759 77 T HA -0.159 4.191 4.350 -0.000 0.000 0.269 77 T C 1.202 175.683 174.700 -0.365 0.000 1.042 77 T CA 1.467 63.489 62.100 -0.130 0.000 1.140 77 T CB -0.177 68.601 68.868 -0.150 0.000 0.864 77 T HN 0.376 nan 8.240 nan 0.000 0.455 78 H N -1.060 117.959 119.070 -0.085 0.000 2.467 78 H HA 0.337 4.893 4.556 -0.000 0.000 0.275 78 H C -0.904 174.482 175.328 0.097 0.000 1.131 78 H CA -0.618 55.392 56.048 -0.063 0.000 0.989 78 H CB -0.171 29.466 29.762 -0.209 0.000 1.696 78 H HN 0.274 nan 8.280 nan 0.000 0.574 79 F N 2.010 122.015 119.950 0.092 0.000 2.480 79 F HA 0.543 5.070 4.527 -0.000 0.000 0.329 79 F C -0.294 175.556 175.800 0.084 0.000 1.091 79 F CA -0.764 57.314 58.000 0.129 0.000 0.972 79 F CB 1.260 40.380 39.000 0.199 0.000 1.150 79 F HN -0.011 nan 8.300 nan 0.000 0.467 80 R N 4.987 125.096 120.500 -0.651 0.000 2.687 80 R HA 0.352 4.692 4.340 -0.000 0.000 0.265 80 R C -1.868 174.153 176.300 -0.464 0.000 1.048 80 R CA -0.860 55.011 56.100 -0.383 0.000 0.884 80 R CB 1.485 31.697 30.300 -0.146 0.000 1.258 80 R HN 0.874 nan 8.270 nan 0.000 0.469 81 R N 1.498 121.855 120.500 -0.238 0.000 2.216 81 R HA 0.513 4.852 4.340 -0.000 0.000 0.332 81 R C -0.514 175.716 176.300 -0.117 0.000 1.056 81 R CA 0.067 56.069 56.100 -0.163 0.000 0.901 81 R CB 1.443 31.707 30.300 -0.059 0.000 1.039 81 R HN 0.622 nan 8.270 nan 0.000 0.456 82 A N 5.429 128.174 122.820 -0.124 0.000 2.346 82 A HA 0.680 5.000 4.320 -0.000 0.000 0.313 82 A C -2.480 175.064 177.584 -0.068 0.000 1.140 82 A CA -2.109 49.873 52.037 -0.091 0.000 0.826 82 A CB 0.967 19.903 19.000 -0.106 0.000 1.332 82 A HN 0.416 nan 8.150 nan 0.000 0.457 83 P HA 0.379 nan 4.420 nan 0.000 0.266 83 P C 0.563 177.842 177.300 -0.035 0.000 1.193 83 P CA 2.014 65.098 63.100 -0.027 0.000 0.770 83 P CB 0.424 32.111 31.700 -0.022 0.000 0.836 84 G N 1.295 110.098 108.800 0.005 0.000 2.362 84 G HA2 0.166 4.125 3.960 -0.000 0.000 0.517 84 G HA3 0.166 4.125 3.960 -0.000 0.000 0.517 84 G C -1.340 173.608 174.900 0.081 0.000 1.256 84 G CA -0.514 44.598 45.100 0.020 0.000 1.027 84 G HN 0.531 nan 8.290 nan 0.000 0.491 85 F N -1.149 118.804 119.950 0.005 0.000 2.575 85 F HA 0.880 5.407 4.527 -0.000 0.000 0.330 85 F C 0.175 175.991 175.800 0.027 0.000 1.056 85 F CA -0.807 57.203 58.000 0.017 0.000 0.964 85 F CB 1.617 40.633 39.000 0.027 0.000 1.258 85 F HN 0.514 nan 8.300 nan 0.000 0.484 86 T N 1.746 116.423 114.554 0.205 0.000 2.771 86 T HA 0.521 4.871 4.350 -0.000 0.000 0.291 86 T C 0.447 175.331 174.700 0.307 0.000 0.954 86 T CA -0.259 61.917 62.100 0.127 0.000 1.045 86 T CB 0.914 69.861 68.868 0.132 0.000 0.917 86 T HN 1.030 nan 8.240 nan 0.000 0.484 87 G N 2.340 111.265 108.800 0.208 0.000 2.544 87 G HA2 0.525 4.485 3.960 -0.000 0.000 0.242 87 G HA3 0.525 4.485 3.960 -0.000 0.000 0.242 87 G C -0.569 174.532 174.900 0.335 0.000 1.247 87 G CA -0.417 44.894 45.100 0.352 0.000 0.840 87 G HN 0.726 nan 8.290 nan 0.000 0.578 88 L N -0.815 120.646 121.223 0.395 0.000 2.491 88 L HA 0.943 5.283 4.340 -0.000 0.000 0.254 88 L C -0.974 176.216 176.870 0.534 0.000 1.048 88 L CA -1.728 53.337 54.840 0.373 0.000 0.855 88 L CB 1.664 43.835 42.059 0.187 0.000 1.466 88 L HN 0.788 nan 8.230 nan 0.000 0.409 89 Y N -0.805 119.620 120.300 0.208 0.000 2.638 89 Y HA 0.865 5.415 4.550 -0.000 0.000 0.335 89 Y C -2.150 173.816 175.900 0.110 0.000 1.155 89 Y CA -1.822 56.384 58.100 0.175 0.000 1.046 89 Y CB 1.208 39.653 38.460 -0.024 0.000 1.303 89 Y HN 0.552 nan 8.280 nan 0.000 0.460 90 L N 3.209 124.525 121.223 0.154 0.000 2.343 90 L HA 0.605 4.945 4.340 -0.000 0.000 0.278 90 L C 0.014 176.980 176.870 0.160 0.000 0.996 90 L CA -0.642 54.239 54.840 0.067 0.000 0.831 90 L CB 1.679 43.822 42.059 0.139 0.000 1.232 90 L HN 0.792 nan 8.230 nan 0.000 0.413 91 R N 1.873 122.374 120.500 0.002 0.000 2.532 91 R HA 0.639 4.979 4.340 -0.000 0.000 0.272 91 R C -0.647 175.665 176.300 0.019 0.000 1.032 91 R CA -0.466 55.633 56.100 -0.002 0.000 1.089 91 R CB 1.087 31.371 30.300 -0.025 0.000 1.098 91 R HN 0.734 nan 8.270 nan 0.000 0.526 92 E N 2.556 122.696 120.200 -0.101 0.000 2.313 92 E HA 0.119 4.469 4.350 -0.000 0.000 0.280 92 E C -1.944 174.520 176.600 -0.226 0.000 0.898 92 E CA -0.450 55.927 56.400 -0.038 0.000 0.803 92 E CB 0.951 30.745 29.700 0.156 0.000 1.286 92 E HN 0.579 nan 8.360 nan 0.000 0.401 93 Y N 4.081 124.398 120.300 0.027 0.000 2.331 93 Y HA 0.357 4.907 4.550 -0.000 0.000 0.338 93 Y C 0.189 176.063 175.900 -0.044 0.000 0.976 93 Y CA -0.687 57.413 58.100 -0.002 0.000 1.137 93 Y CB 1.233 39.692 38.460 -0.001 0.000 1.172 93 Y HN 0.376 nan 8.280 nan 0.000 0.478 94 L N 6.219 127.503 121.223 0.101 0.000 2.399 94 L HA 0.245 4.585 4.340 -0.000 0.000 0.266 94 L C -1.418 175.456 176.870 0.007 0.000 1.114 94 L CA -1.863 52.956 54.840 -0.035 0.000 0.804 94 L CB 0.897 42.903 42.059 -0.089 0.000 1.146 94 L HN 0.458 nan 8.230 nan 0.000 0.451 95 P HA -0.234 nan 4.420 nan 0.000 0.222 95 P C 1.103 178.406 177.300 0.005 0.000 1.157 95 P CA 1.645 64.736 63.100 -0.015 0.000 0.905 95 P CB 0.139 31.825 31.700 -0.024 0.000 0.792 96 L N -3.042 118.189 121.223 0.013 0.000 2.728 96 L HA 0.298 4.638 4.340 -0.000 0.000 0.235 96 L C 1.619 178.510 176.870 0.037 0.000 1.197 96 L CA 0.476 55.329 54.840 0.022 0.000 0.992 96 L CB -0.641 41.433 42.059 0.025 0.000 1.263 96 L HN 0.196 nan 8.230 nan 0.000 0.484 97 G N -0.761 108.072 108.800 0.056 0.000 2.358 97 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.224 97 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.224 97 G C 0.309 175.308 174.900 0.164 0.000 1.073 97 G CA -0.268 44.886 45.100 0.089 0.000 0.635 97 G HN 0.385 nan 8.290 nan 0.000 0.509 98 Q N 2.064 121.929 119.800 0.109 0.000 2.244 98 Q HA 0.485 4.825 4.340 -0.000 0.000 0.278 98 Q C 0.584 176.631 176.000 0.077 0.000 1.093 98 Q CA 0.690 56.548 55.803 0.092 0.000 0.916 98 Q CB 0.593 29.368 28.738 0.061 0.000 1.159 98 Q HN 0.900 nan 8.270 nan 0.000 0.384 99 G N 1.940 110.753 108.800 0.021 0.000 2.705 99 G HA2 0.720 4.680 3.960 -0.000 0.000 0.299 99 G HA3 0.720 4.680 3.960 -0.000 0.000 0.299 99 G C -0.924 173.857 174.900 -0.197 0.000 1.315 99 G CA -0.940 44.029 45.100 -0.219 0.000 1.045 99 G HN 0.590 nan 8.290 nan 0.000 0.517 100 R N -1.126 119.201 120.500 -0.287 0.000 2.633 100 R HA 0.429 4.769 4.340 -0.000 0.000 0.256 100 R C -2.110 173.895 176.300 -0.491 0.000 1.131 100 R CA -0.439 55.459 56.100 -0.337 0.000 0.994 100 R CB 2.025 32.175 30.300 -0.251 0.000 1.261 100 R HN 0.428 nan 8.270 nan 0.000 0.446 101 V N 4.987 124.537 119.914 -0.605 0.000 2.513 101 V HA 0.603 4.723 4.120 -0.000 0.000 0.299 101 V C -0.994 174.599 176.094 -0.836 0.000 1.035 101 V CA -0.466 61.497 62.300 -0.562 0.000 0.889 101 V CB 1.643 33.199 31.823 -0.446 0.000 0.988 101 V HN 0.532 nan 8.190 nan 0.000 0.440 102 F N 3.990 123.841 119.950 -0.164 0.000 2.460 102 F HA 0.596 5.123 4.527 -0.000 0.000 0.341 102 F C -0.327 175.444 175.800 -0.049 0.000 1.130 102 F CA -0.785 57.167 58.000 -0.080 0.000 0.962 102 F CB 0.940 39.969 39.000 0.049 0.000 1.171 102 F HN 0.328 nan 8.300 nan 0.000 0.436 103 Y N 1.607 121.991 120.300 0.140 0.000 2.376 103 Y HA 0.460 5.010 4.550 -0.000 0.000 0.325 103 Y C -0.658 175.198 175.900 -0.072 0.000 1.199 103 Y CA -0.651 57.530 58.100 0.135 0.000 1.206 103 Y CB 1.201 39.675 38.460 0.023 0.000 1.229 103 Y HN 0.480 nan 8.280 nan 0.000 0.480 104 Y N 1.914 122.419 120.300 0.343 0.000 2.529 104 Y HA 0.285 4.835 4.550 -0.000 0.000 0.319 104 Y C 0.403 176.478 175.900 0.291 0.000 1.063 104 Y CA -0.679 57.553 58.100 0.220 0.000 1.178 104 Y CB 0.586 39.132 38.460 0.143 0.000 1.123 104 Y HN 0.597 nan 8.280 nan 0.000 0.625 105 R N -1.057 119.661 120.500 0.363 0.000 2.582 105 R HA 0.201 4.541 4.340 -0.000 0.000 0.285 105 R C 0.306 176.767 176.300 0.269 0.000 0.940 105 R CA -0.570 55.741 56.100 0.352 0.000 1.072 105 R CB 0.352 30.767 30.300 0.191 0.000 1.527 105 R HN -0.053 nan 8.270 nan 0.000 0.538 106 K N 2.380 122.898 120.400 0.197 0.000 2.453 106 K HA -0.011 4.309 4.320 -0.000 0.000 0.280 106 K C 0.414 177.170 176.600 0.261 0.000 1.045 106 K CA 1.747 58.111 56.287 0.128 0.000 1.059 106 K CB 0.361 32.898 32.500 0.062 0.000 0.901 106 K HN 0.494 nan 8.250 nan 0.000 0.475 107 G N 2.994 111.862 108.800 0.113 0.000 2.143 107 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 107 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 107 G C 0.082 174.923 174.900 -0.099 0.000 0.991 107 G CA 0.567 45.728 45.100 0.102 0.000 0.689 107 G HN 0.894 nan 8.290 nan 0.000 0.522 108 S N -0.721 114.728 115.700 -0.418 0.000 2.614 108 S HA 0.714 5.184 4.470 -0.000 0.000 0.265 108 S C 1.797 176.017 174.600 -0.632 0.000 1.303 108 S CA 0.452 57.926 58.200 -1.210 0.000 1.000 108 S CB 1.756 64.483 63.200 -0.787 0.000 0.935 108 S HN 1.636 nan 8.310 nan 0.000 0.551 109 A N 1.404 123.861 122.820 -0.606 0.000 1.972 109 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 109 A C 2.112 179.550 177.584 -0.243 0.000 1.169 109 A CA 1.478 53.323 52.037 -0.321 0.000 0.635 109 A CB -1.626 17.226 19.000 -0.247 0.000 0.810 109 A HN 1.096 nan 8.150 nan 0.000 0.446 110 G N -0.228 108.433 108.800 -0.232 0.000 2.448 110 G HA2 -0.060 3.899 3.960 -0.000 0.000 0.218 110 G HA3 -0.060 3.899 3.960 -0.000 0.000 0.218 110 G C 1.636 176.436 174.900 -0.168 0.000 1.135 110 G CA 1.254 46.264 45.100 -0.152 0.000 0.784 110 G HN 0.838 nan 8.290 nan 0.000 0.543 111 S N 0.318 115.904 115.700 -0.191 0.000 2.660 111 S HA 0.469 4.939 4.470 -0.000 0.000 0.223 111 S C 2.151 176.645 174.600 -0.177 0.000 0.963 111 S CA 0.813 58.905 58.200 -0.180 0.000 0.932 111 S CB 0.332 63.433 63.200 -0.166 0.000 0.775 111 S HN 0.433 nan 8.310 nan 0.000 0.531 112 A N 2.004 124.715 122.820 -0.181 0.000 1.898 112 A HA 0.329 4.649 4.320 -0.000 0.000 0.214 112 A C 1.035 178.511 177.584 -0.180 0.000 1.183 112 A CA 0.038 51.978 52.037 -0.161 0.000 0.622 112 A CB -0.760 18.149 19.000 -0.151 0.000 0.824 112 A HN 0.570 nan 8.150 nan 0.000 0.444 113 L N -0.173 120.902 121.223 -0.247 0.000 4.017 113 L HA -0.104 4.236 4.340 -0.000 0.000 0.482 113 L C 0.462 177.192 176.870 -0.234 0.000 1.045 113 L CA 0.359 54.980 54.840 -0.365 0.000 0.650 113 L CB -0.669 40.980 42.059 -0.684 0.000 0.973 113 L HN 0.537 nan 8.230 nan 0.000 0.913 114 A N 5.942 128.677 122.820 -0.142 0.000 2.532 114 A HA 0.835 5.155 4.320 -0.000 0.000 0.290 114 A C -2.630 174.902 177.584 -0.087 0.000 1.143 114 A CA -1.601 50.405 52.037 -0.051 0.000 0.728 114 A CB 1.451 20.387 19.000 -0.106 0.000 1.317 114 A HN 0.445 nan 8.150 nan 0.000 0.414 115 P HA 0.298 nan 4.420 nan 0.000 0.260 115 P C 0.793 177.364 177.300 -1.214 0.000 1.185 115 P CA 2.345 64.861 63.100 -0.974 0.000 0.763 115 P CB 0.453 31.732 31.700 -0.702 0.000 0.776 116 G N 3.347 110.908 108.800 -2.066 0.000 2.144 116 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 116 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 116 G C 1.086 175.744 174.900 -0.403 0.000 0.988 116 G CA 0.140 44.665 45.100 -0.958 0.000 0.659 116 G HN 0.623 nan 8.290 nan 0.000 0.522 117 A N -0.703 121.976 122.820 -0.235 0.000 2.131 117 A HA 0.454 4.774 4.320 -0.000 0.000 0.220 117 A C 0.882 178.558 177.584 0.153 0.000 1.158 117 A CA 1.949 54.010 52.037 0.039 0.000 0.665 117 A CB -0.442 18.641 19.000 0.137 0.000 0.795 117 A HN 1.938 nan 8.150 nan 0.000 0.460 118 F N -3.339 116.611 119.950 -0.001 0.000 2.711 118 F HA 0.592 5.119 4.527 -0.000 0.000 0.313 118 F C -1.150 174.510 175.800 -0.232 0.000 1.141 118 F CA -1.723 56.039 58.000 -0.396 0.000 0.941 118 F CB 0.665 39.422 39.000 -0.405 0.000 1.349 118 F HN -0.147 nan 8.300 nan 0.000 0.464 119 D N 2.740 122.749 120.400 -0.652 0.000 2.339 119 D HA 0.302 4.942 4.640 -0.000 0.000 0.256 119 D C -1.886 174.277 176.300 -0.229 0.000 1.214 119 D CA -2.251 51.605 54.000 -0.241 0.000 0.877 119 D CB 1.601 42.479 40.800 0.131 0.000 1.111 119 D HN 0.270 nan 8.370 nan 0.000 0.478 120 P HA -0.134 nan 4.420 nan 0.000 0.217 120 P C 0.585 177.935 177.300 0.084 0.000 1.151 120 P CA 0.875 63.825 63.100 -0.248 0.000 0.849 120 P CB 0.262 31.830 31.700 -0.219 0.000 0.787 121 D N -2.468 118.000 120.400 0.114 0.000 2.403 121 D HA -0.160 4.480 4.640 -0.000 0.000 0.227 121 D C 1.498 177.969 176.300 0.285 0.000 0.995 121 D CA 0.602 54.697 54.000 0.158 0.000 0.928 121 D CB -0.525 40.351 40.800 0.126 0.000 0.887 121 D HN 0.368 nan 8.370 nan 0.000 0.529 122 Y N 0.501 120.958 120.300 0.262 0.000 2.263 122 Y HA -0.061 4.489 4.550 -0.000 0.000 0.292 122 Y C 1.893 177.929 175.900 0.226 0.000 1.130 122 Y CA 0.602 58.898 58.100 0.327 0.000 1.179 122 Y CB 0.161 38.975 38.460 0.591 0.000 0.998 122 Y HN -0.102 nan 8.280 nan 0.000 0.532 123 L N 1.138 122.534 121.223 0.289 0.000 2.650 123 L HA -0.026 4.313 4.340 -0.000 0.000 0.235 123 L C 0.008 176.900 176.870 0.037 0.000 1.149 123 L CA 0.164 55.054 54.840 0.083 0.000 0.887 123 L CB -0.485 41.642 42.059 0.114 0.000 1.021 123 L HN 0.117 nan 8.230 nan 0.000 0.441 124 E N 0.674 120.913 120.200 0.066 0.000 2.265 124 E HA 0.265 4.615 4.350 -0.000 0.000 0.272 124 E C 1.072 177.681 176.600 0.015 0.000 1.067 124 E CA 0.814 57.238 56.400 0.040 0.000 0.900 124 E CB 0.484 30.221 29.700 0.062 0.000 1.017 124 E HN 0.293 nan 8.360 nan 0.000 0.431 125 G N 2.694 111.492 108.800 -0.003 0.000 2.184 125 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.264 125 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.264 125 G C 0.216 175.101 174.900 -0.026 0.000 0.975 125 G CA 0.216 45.309 45.100 -0.011 0.000 0.642 125 G HN 0.488 nan 8.290 nan 0.000 0.536 126 V N 0.628 120.520 119.914 -0.037 0.000 2.614 126 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 126 V C 1.824 177.883 176.094 -0.058 0.000 1.049 126 V CA 0.398 62.668 62.300 -0.049 0.000 1.038 126 V CB 1.361 33.142 31.823 -0.070 0.000 0.980 126 V HN 0.352 nan 8.190 nan 0.000 0.481 127 R N 3.038 123.504 120.500 -0.056 0.000 2.075 127 R HA 0.097 4.436 4.340 -0.000 0.000 0.230 127 R C 0.186 176.362 176.300 -0.206 0.000 1.140 127 R CA 1.671 57.695 56.100 -0.127 0.000 0.928 127 R CB -0.046 30.216 30.300 -0.062 0.000 0.834 127 R HN 0.630 nan 8.270 nan 0.000 0.429 128 F N -1.573 118.370 119.950 -0.013 0.000 2.593 128 F HA 0.436 4.963 4.527 -0.000 0.000 0.320 128 F C -1.091 174.713 175.800 0.007 0.000 1.060 128 F CA -1.486 56.520 58.000 0.011 0.000 0.940 128 F CB 1.866 40.889 39.000 0.038 0.000 1.268 128 F HN -0.136 nan 8.300 nan 0.000 0.475 129 L N 2.647 124.070 121.223 0.334 0.000 2.372 129 L HA 0.479 4.819 4.340 -0.000 0.000 0.274 129 L C -1.667 175.311 176.870 0.181 0.000 0.988 129 L CA -0.310 54.628 54.840 0.164 0.000 0.833 129 L CB 0.943 43.051 42.059 0.082 0.000 1.236 129 L HN 0.587 nan 8.230 nan 0.000 0.410 130 H N 4.884 123.991 119.070 0.061 0.000 2.459 130 H HA 0.817 5.373 4.556 -0.000 0.000 0.332 130 H C -1.466 173.912 175.328 0.082 0.000 1.094 130 H CA -0.371 55.708 56.048 0.052 0.000 1.224 130 H CB 1.136 30.906 29.762 0.014 0.000 1.449 130 H HN 0.717 nan 8.280 nan 0.000 0.484 131 L N 2.941 123.770 121.223 -0.657 0.000 2.393 131 L HA 0.435 4.774 4.340 -0.000 0.000 0.260 131 L C -0.427 176.227 176.870 -0.361 0.000 1.002 131 L CA -0.989 53.666 54.840 -0.307 0.000 0.818 131 L CB 2.248 44.291 42.059 -0.025 0.000 1.369 131 L HN 0.518 nan 8.230 nan 0.000 0.412 132 S N -0.469 115.182 115.700 -0.082 0.000 2.578 132 S HA 0.517 4.987 4.470 -0.000 0.000 0.301 132 S C 0.880 175.522 174.600 0.070 0.000 1.091 132 S CA -0.006 58.211 58.200 0.029 0.000 1.032 132 S CB 1.757 65.005 63.200 0.081 0.000 1.064 132 S HN 0.826 nan 8.310 nan 0.000 0.508 133 G N 2.431 111.319 108.800 0.146 0.000 2.708 133 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.210 133 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.210 133 G C 0.952 175.868 174.900 0.027 0.000 1.141 133 G CA 0.492 45.719 45.100 0.213 0.000 0.788 133 G HN 0.743 nan 8.290 nan 0.000 0.531 134 I N 0.476 121.005 120.570 -0.068 0.000 2.406 134 I HA -0.088 4.082 4.170 -0.000 0.000 0.249 134 I C 2.812 178.728 176.117 -0.334 0.000 1.122 134 I CA 1.026 62.185 61.300 -0.235 0.000 1.431 134 I CB -0.802 37.108 38.000 -0.150 0.000 1.087 134 I HN 0.005 nan 8.210 nan 0.000 0.424 135 T N 2.644 117.078 114.554 -0.199 0.000 2.580 135 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 135 T C -0.262 174.267 174.700 -0.285 0.000 1.063 135 T CA 1.828 63.823 62.100 -0.176 0.000 1.170 135 T CB -1.781 67.078 68.868 -0.015 0.000 0.863 135 T HN 0.315 nan 8.240 nan 0.000 0.418 136 P HA -0.011 nan 4.420 nan 0.000 0.219 136 P C 1.207 178.054 177.300 -0.755 0.000 1.146 136 P CA 1.387 64.211 63.100 -0.459 0.000 0.808 136 P CB -0.189 31.041 31.700 -0.784 0.000 0.779 137 A N -0.510 121.533 122.820 -1.295 0.000 2.119 137 A HA -0.024 4.296 4.320 -0.000 0.000 0.217 137 A C 2.336 179.408 177.584 -0.853 0.000 1.153 137 A CA 0.649 51.606 52.037 -1.800 0.000 0.692 137 A CB -1.306 16.219 19.000 -2.457 0.000 0.799 137 A HN 0.140 nan 8.150 nan 0.000 0.458 138 L N -0.338 120.542 121.223 -0.572 0.000 2.023 138 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 138 L C 1.354 178.069 176.870 -0.259 0.000 1.073 138 L CA 1.236 55.854 54.840 -0.370 0.000 0.745 138 L CB -0.334 41.550 42.059 -0.292 0.000 0.900 138 L HN 0.583 nan 8.230 nan 0.000 0.435 139 S N -3.753 111.820 115.700 -0.212 0.000 2.615 139 S HA 0.378 4.848 4.470 -0.000 0.000 0.269 139 S C -2.473 172.083 174.600 -0.074 0.000 1.161 139 S CA -1.095 57.031 58.200 -0.125 0.000 0.817 139 S CB 1.400 64.537 63.200 -0.105 0.000 1.131 139 S HN -0.279 nan 8.310 nan 0.000 0.467 140 P HA 0.010 nan 4.420 nan 0.000 0.218 140 P C 0.839 178.157 177.300 0.029 0.000 1.149 140 P CA 1.230 64.341 63.100 0.018 0.000 0.817 140 P CB 0.069 31.780 31.700 0.019 0.000 0.785 141 E N -0.413 119.786 120.200 -0.001 0.000 2.072 141 E HA -0.064 4.286 4.350 -0.000 0.000 0.190 141 E C 2.133 178.761 176.600 0.047 0.000 0.982 141 E CA 1.358 57.761 56.400 0.005 0.000 0.803 141 E CB -1.330 28.347 29.700 -0.038 0.000 0.755 141 E HN 0.100 nan 8.360 nan 0.000 0.453 142 A N 1.027 123.845 122.820 -0.003 0.000 1.902 142 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 142 A C 2.194 179.868 177.584 0.150 0.000 1.181 142 A CA 1.873 53.920 52.037 0.018 0.000 0.623 142 A CB -0.504 18.427 19.000 -0.115 0.000 0.818 142 A HN 0.179 nan 8.150 nan 0.000 0.443 143 R N -0.280 120.263 120.500 0.073 0.000 2.081 143 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 143 R C 2.212 178.688 176.300 0.293 0.000 1.131 143 R CA 1.584 57.769 56.100 0.140 0.000 0.960 143 R CB -0.437 29.942 30.300 0.132 0.000 0.856 143 R HN 0.405 nan 8.270 nan 0.000 0.436 144 A N 0.705 123.662 122.820 0.228 0.000 1.873 144 A HA -0.167 4.153 4.320 -0.000 0.000 0.215 144 A C 2.011 179.765 177.584 0.283 0.000 1.186 144 A CA 1.294 53.463 52.037 0.219 0.000 0.616 144 A CB -0.875 18.203 19.000 0.130 0.000 0.823 144 A HN 0.583 nan 8.150 nan 0.000 0.442 145 F N 1.695 121.729 119.950 0.141 0.000 2.043 145 F HA -0.237 4.290 4.527 -0.000 0.000 0.297 145 F C 2.433 178.470 175.800 0.395 0.000 1.121 145 F CA 2.200 60.336 58.000 0.228 0.000 1.199 145 F CB -0.648 38.423 39.000 0.120 0.000 0.968 145 F HN 0.203 nan 8.300 nan 0.000 0.478 146 S N 1.591 117.494 115.700 0.338 0.000 2.369 146 S HA -0.276 4.194 4.470 -0.000 0.000 0.225 146 S C 2.048 176.719 174.600 0.118 0.000 1.043 146 S CA 2.088 60.408 58.200 0.199 0.000 1.074 146 S CB -0.965 62.482 63.200 0.412 0.000 0.962 146 S HN 0.466 nan 8.310 nan 0.000 0.433 147 L N -0.498 120.871 121.223 0.244 0.000 2.012 147 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 147 L C 2.365 179.284 176.870 0.082 0.000 1.073 147 L CA 1.741 56.671 54.840 0.151 0.000 0.748 147 L CB -0.512 41.652 42.059 0.174 0.000 0.891 147 L HN 0.497 nan 8.230 nan 0.000 0.431 148 W N 0.839 122.090 121.300 -0.081 0.000 2.335 148 W HA -0.268 4.392 4.660 -0.000 0.000 0.311 148 W C 2.513 178.924 176.519 -0.181 0.000 1.213 148 W CA 1.921 59.195 57.345 -0.119 0.000 1.274 148 W CB -0.314 29.080 29.460 -0.111 0.000 1.148 148 W HN 0.121 nan 8.180 nan 0.000 0.498 149 A N 0.816 123.406 122.820 -0.383 0.000 1.865 149 A HA -0.267 4.053 4.320 -0.000 0.000 0.217 149 A C 2.037 179.384 177.584 -0.396 0.000 1.191 149 A CA 2.584 54.249 52.037 -0.620 0.000 0.623 149 A CB -1.094 17.547 19.000 -0.597 0.000 0.826 149 A HN 0.442 nan 8.150 nan 0.000 0.444 150 M N -1.034 118.434 119.600 -0.220 0.000 2.446 150 M HA -0.117 4.363 4.480 -0.000 0.000 0.263 150 M C 1.997 178.209 176.300 -0.147 0.000 1.066 150 M CA 1.666 56.890 55.300 -0.126 0.000 1.087 150 M CB -0.326 32.243 32.600 -0.051 0.000 1.406 150 M HN 0.640 nan 8.290 nan 0.000 0.459 151 E N 0.707 120.782 120.200 -0.209 0.000 2.122 151 E HA -0.180 4.170 4.350 -0.000 0.000 0.190 151 E C 1.818 178.277 176.600 -0.235 0.000 0.977 151 E CA 0.780 57.069 56.400 -0.184 0.000 0.820 151 E CB 0.277 29.884 29.700 -0.154 0.000 0.770 151 E HN 0.332 nan 8.360 nan 0.000 0.462 152 E N 0.256 120.221 120.200 -0.392 0.000 2.208 152 E HA -0.057 4.293 4.350 -0.000 0.000 0.193 152 E C 1.549 178.016 176.600 -0.221 0.000 0.988 152 E CA 1.099 57.266 56.400 -0.387 0.000 0.828 152 E CB -0.037 29.236 29.700 -0.711 0.000 0.763 152 E HN 0.332 nan 8.360 nan 0.000 0.478 153 A N 0.798 123.508 122.820 -0.184 0.000 1.854 153 A HA -0.133 4.187 4.320 -0.000 0.000 0.214 153 A C 1.966 179.504 177.584 -0.077 0.000 1.192 153 A CA 1.486 53.467 52.037 -0.094 0.000 0.611 153 A CB -0.320 18.643 19.000 -0.062 0.000 0.832 153 A HN 0.147 nan 8.150 nan 0.000 0.442 154 K N -0.500 119.852 120.400 -0.080 0.000 2.103 154 K HA -0.167 4.153 4.320 -0.000 0.000 0.207 154 K C 2.248 178.810 176.600 -0.063 0.000 1.048 154 K CA 1.460 57.710 56.287 -0.062 0.000 0.930 154 K CB -0.193 32.273 32.500 -0.057 0.000 0.716 154 K HN 0.492 nan 8.250 nan 0.000 0.444 155 R N 1.461 121.914 120.500 -0.078 0.000 2.189 155 R HA -0.072 4.268 4.340 -0.000 0.000 0.223 155 R C 1.189 177.455 176.300 -0.056 0.000 1.092 155 R CA 1.157 57.216 56.100 -0.068 0.000 0.989 155 R CB 0.154 30.402 30.300 -0.087 0.000 0.876 155 R HN 0.040 nan 8.270 nan 0.000 0.457 156 R N -0.917 119.548 120.500 -0.058 0.000 2.468 156 R HA 0.185 4.525 4.340 -0.000 0.000 0.280 156 R C 0.350 176.625 176.300 -0.042 0.000 0.963 156 R CA 0.493 56.568 56.100 -0.042 0.000 1.083 156 R CB 1.141 31.420 30.300 -0.035 0.000 1.200 156 R HN 0.388 nan 8.270 nan 0.000 0.541 157 G N 0.870 109.641 108.800 -0.048 0.000 2.221 157 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 157 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 157 G C -0.095 174.764 174.900 -0.069 0.000 1.041 157 G CA 0.136 45.204 45.100 -0.054 0.000 0.807 157 G HN 0.159 nan 8.290 nan 0.000 0.502 158 V N 1.930 121.806 119.914 -0.062 0.000 2.350 158 V HA 0.403 4.523 4.120 -0.000 0.000 0.276 158 V C 1.110 177.172 176.094 -0.055 0.000 1.028 158 V CA -1.138 61.121 62.300 -0.068 0.000 0.860 158 V CB 1.267 33.067 31.823 -0.037 0.000 0.990 158 V HN 0.411 nan 8.190 nan 0.000 0.453 159 R N 3.122 123.547 120.500 -0.126 0.000 2.640 159 R HA 0.252 4.592 4.340 -0.000 0.000 0.270 159 R C -0.673 175.757 176.300 0.216 0.000 1.024 159 R CA -0.169 55.894 56.100 -0.061 0.000 1.085 159 R CB 0.621 30.655 30.300 -0.443 0.000 0.963 159 R HN 0.463 nan 8.270 nan 0.000 0.426 160 V N 1.826 121.880 119.914 0.233 0.000 2.398 160 V HA 0.151 4.271 4.120 -0.000 0.000 0.286 160 V C 0.348 176.592 176.094 0.250 0.000 1.026 160 V CA -0.434 62.001 62.300 0.225 0.000 0.868 160 V CB 1.626 33.504 31.823 0.091 0.000 0.982 160 V HN 0.748 nan 8.190 nan 0.000 0.443 161 S N 5.060 120.880 115.700 0.200 0.000 2.451 161 S HA 0.793 5.263 4.470 -0.000 0.000 0.301 161 S C -1.048 173.618 174.600 0.110 0.000 1.116 161 S CA -0.489 57.765 58.200 0.089 0.000 1.093 161 S CB 1.050 64.191 63.200 -0.099 0.000 1.017 161 S HN 0.599 nan 8.310 nan 0.000 0.482 162 L N 4.264 125.569 121.223 0.137 0.000 2.408 162 L HA 0.673 5.013 4.340 -0.000 0.000 0.268 162 L C -1.452 175.601 176.870 0.304 0.000 0.986 162 L CA -0.268 54.639 54.840 0.113 0.000 0.820 162 L CB 2.158 44.285 42.059 0.112 0.000 1.303 162 L HN 0.618 nan 8.230 nan 0.000 0.411 163 D N 3.642 124.224 120.400 0.304 0.000 2.460 163 D HA 0.235 4.875 4.640 -0.000 0.000 0.232 163 D C 1.115 177.574 176.300 0.265 0.000 1.079 163 D CA -0.260 53.969 54.000 0.383 0.000 0.864 163 D CB 1.571 42.596 40.800 0.374 0.000 1.048 163 D HN 0.401 nan 8.370 nan 0.000 0.523 164 V N 3.701 123.774 119.914 0.264 0.000 2.236 164 V HA -0.339 3.781 4.120 -0.000 0.000 0.255 164 V C 1.452 177.716 176.094 0.284 0.000 1.068 164 V CA 1.845 64.309 62.300 0.272 0.000 1.044 164 V CB -0.854 31.115 31.823 0.243 0.000 0.653 164 V HN 0.868 nan 8.190 nan 0.000 0.448 165 N N -0.192 118.653 118.700 0.241 0.000 2.669 165 N HA -0.282 4.458 4.740 -0.000 0.000 0.266 165 N C -0.540 175.117 175.510 0.245 0.000 1.024 165 N CA 0.527 53.698 53.050 0.201 0.000 0.766 165 N CB -1.166 37.410 38.487 0.147 0.000 0.898 165 N HN 0.726 nan 8.380 nan 0.000 0.548 166 Y N 1.702 122.109 120.300 0.178 0.000 2.465 166 Y HA 0.213 4.763 4.550 -0.000 0.000 0.331 166 Y C 0.534 176.548 175.900 0.190 0.000 1.102 166 Y CA -0.041 58.197 58.100 0.231 0.000 1.358 166 Y CB 0.522 39.076 38.460 0.156 0.000 1.213 166 Y HN 0.085 nan 8.280 nan 0.000 0.525 167 R N 6.287 126.514 120.500 -0.455 0.000 2.360 167 R HA 0.126 4.465 4.340 -0.000 0.000 0.318 167 R C 0.478 176.461 176.300 -0.529 0.000 0.950 167 R CA -0.476 55.405 56.100 -0.364 0.000 0.837 167 R CB 1.580 31.727 30.300 -0.255 0.000 1.165 167 R HN 0.925 nan 8.270 nan 0.000 0.458 168 Q N 0.321 119.940 119.800 -0.302 0.000 2.226 168 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 168 Q C 0.875 176.834 176.000 -0.067 0.000 0.975 168 Q CA 1.696 57.435 55.803 -0.107 0.000 0.866 168 Q CB 0.190 28.965 28.738 0.061 0.000 0.915 168 Q HN 0.549 nan 8.270 nan 0.000 0.440 169 T N 1.182 115.674 114.554 -0.102 0.000 2.821 169 T HA -0.070 4.280 4.350 -0.000 0.000 0.267 169 T C 1.883 176.492 174.700 -0.152 0.000 1.046 169 T CA 0.786 62.827 62.100 -0.099 0.000 1.139 169 T CB -0.057 68.752 68.868 -0.097 0.000 0.871 169 T HN 0.177 nan 8.240 nan 0.000 0.454 170 L N -0.995 120.083 121.223 -0.243 0.000 2.068 170 L HA 0.162 4.502 4.340 -0.000 0.000 0.204 170 L C 0.785 177.576 176.870 -0.131 0.000 1.076 170 L CA 0.501 55.142 54.840 -0.333 0.000 0.753 170 L CB -0.057 41.612 42.059 -0.649 0.000 0.910 170 L HN 0.468 nan 8.230 nan 0.000 0.439 171 W N -1.741 119.443 121.300 -0.194 0.000 3.075 171 W HA 0.537 5.197 4.660 -0.000 0.000 0.334 171 W C -0.390 176.144 176.519 0.025 0.000 1.243 171 W CA -2.219 55.081 57.345 -0.075 0.000 1.170 171 W CB -0.203 29.235 29.460 -0.038 0.000 1.452 171 W HN -0.122 nan 8.180 nan 0.000 0.572 172 S N 0.057 115.920 115.700 0.272 0.000 2.603 172 S HA 0.397 4.867 4.470 -0.000 0.000 0.268 172 S C -1.800 172.873 174.600 0.121 0.000 1.317 172 S CA -0.691 57.622 58.200 0.188 0.000 1.012 172 S CB 1.730 64.981 63.200 0.085 0.000 0.926 172 S HN 0.299 nan 8.310 nan 0.000 0.539 173 P HA -0.125 nan 4.420 nan 0.000 0.216 173 P C 0.958 178.068 177.300 -0.316 0.000 1.150 173 P CA 1.333 64.254 63.100 -0.299 0.000 0.843 173 P CB 0.033 31.562 31.700 -0.285 0.000 0.787 174 E N -0.335 119.747 120.200 -0.197 0.000 2.046 174 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 174 E C 1.936 178.427 176.600 -0.181 0.000 0.982 174 E CA 1.137 57.427 56.400 -0.183 0.000 0.800 174 E CB -0.932 28.702 29.700 -0.109 0.000 0.756 174 E HN 0.397 nan 8.360 nan 0.000 0.449 175 E N 0.418 120.527 120.200 -0.151 0.000 2.118 175 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 175 E C 1.962 178.290 176.600 -0.453 0.000 0.992 175 E CA 1.053 57.363 56.400 -0.150 0.000 0.804 175 E CB -0.156 29.558 29.700 0.024 0.000 0.741 175 E HN 0.268 nan 8.360 nan 0.000 0.458 176 A N 1.370 123.765 122.820 -0.709 0.000 1.873 176 A HA -0.165 4.155 4.320 -0.000 0.000 0.215 176 A C 2.103 179.462 177.584 -0.375 0.000 1.186 176 A CA 1.286 52.778 52.037 -0.909 0.000 0.616 176 A CB -0.370 18.262 19.000 -0.613 0.000 0.823 176 A HN 0.057 nan 8.150 nan 0.000 0.442 177 R N -0.566 119.743 120.500 -0.318 0.000 2.081 177 R HA -0.109 4.231 4.340 -0.000 0.000 0.235 177 R C 2.268 178.505 176.300 -0.104 0.000 1.131 177 R CA 1.433 57.405 56.100 -0.213 0.000 0.960 177 R CB -0.660 29.430 30.300 -0.351 0.000 0.856 177 R HN 0.481 nan 8.270 nan 0.000 0.436 178 G N 0.339 109.073 108.800 -0.110 0.000 2.440 178 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.218 178 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.218 178 G C 1.214 176.127 174.900 0.022 0.000 1.154 178 G CA 0.744 45.822 45.100 -0.036 0.000 0.767 178 G HN 0.388 nan 8.290 nan 0.000 0.552 179 F N 1.228 121.111 119.950 -0.111 0.000 2.060 179 F HA 0.071 4.598 4.527 -0.000 0.000 0.295 179 F C 2.573 178.381 175.800 0.013 0.000 1.120 179 F CA 1.178 59.169 58.000 -0.015 0.000 1.205 179 F CB -0.430 38.571 39.000 0.001 0.000 0.986 179 F HN 0.036 nan 8.300 nan 0.000 0.470 180 L N 0.114 121.359 121.223 0.037 0.000 2.013 180 L HA -0.270 4.070 4.340 -0.000 0.000 0.212 180 L C 2.380 179.200 176.870 -0.084 0.000 1.073 180 L CA 1.971 56.803 54.840 -0.014 0.000 0.753 180 L CB -0.943 41.196 42.059 0.133 0.000 0.890 180 L HN 0.169 nan 8.230 nan 0.000 0.432 181 E N -0.431 119.745 120.200 -0.039 0.000 2.209 181 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 181 E C 2.288 178.836 176.600 -0.087 0.000 0.993 181 E CA 1.056 57.434 56.400 -0.036 0.000 0.819 181 E CB 0.040 29.728 29.700 -0.020 0.000 0.745 181 E HN 0.255 nan 8.360 nan 0.000 0.477 182 R N -0.958 119.448 120.500 -0.157 0.000 2.105 182 R HA 0.124 4.464 4.340 -0.000 0.000 0.214 182 R C 1.995 178.145 176.300 -0.251 0.000 1.091 182 R CA 0.931 56.923 56.100 -0.180 0.000 1.007 182 R CB 0.007 30.203 30.300 -0.174 0.000 0.912 182 R HN 0.153 nan 8.270 nan 0.000 0.450 183 A N 1.442 124.003 122.820 -0.431 0.000 1.935 183 A HA -0.063 4.256 4.320 -0.000 0.000 0.214 183 A C 1.960 179.430 177.584 -0.190 0.000 1.178 183 A CA 0.699 52.499 52.037 -0.396 0.000 0.640 183 A CB -0.517 18.058 19.000 -0.707 0.000 0.825 183 A HN 0.357 nan 8.150 nan 0.000 0.447 184 L N 0.892 122.027 121.223 -0.147 0.000 2.095 184 L HA -0.215 4.125 4.340 -0.000 0.000 0.229 184 L C -0.688 176.146 176.870 -0.060 0.000 1.097 184 L CA 3.105 57.900 54.840 -0.076 0.000 0.813 184 L CB -1.742 40.281 42.059 -0.060 0.000 0.907 184 L HN 0.191 nan 8.230 nan 0.000 0.445 185 P HA -0.132 nan 4.420 nan 0.000 0.217 185 P C 1.371 178.647 177.300 -0.041 0.000 1.151 185 P CA 2.034 65.105 63.100 -0.049 0.000 0.849 185 P CB -0.434 31.235 31.700 -0.052 0.000 0.787 186 G N -1.597 107.175 108.800 -0.047 0.000 2.985 186 G HA2 0.087 4.047 3.960 -0.000 0.000 0.209 186 G HA3 0.087 4.047 3.960 -0.000 0.000 0.209 186 G C 0.260 175.154 174.900 -0.010 0.000 1.165 186 G CA -0.016 45.064 45.100 -0.033 0.000 0.776 186 G HN 0.152 nan 8.290 nan 0.000 0.541 187 V N 1.169 121.079 119.914 -0.007 0.000 2.546 187 V HA 0.227 4.347 4.120 -0.000 0.000 0.284 187 V C 0.355 176.468 176.094 0.031 0.000 1.050 187 V CA -0.037 62.275 62.300 0.020 0.000 0.981 187 V CB 1.650 33.481 31.823 0.014 0.000 0.990 187 V HN 0.240 nan 8.190 nan 0.000 0.474 188 D N 2.727 123.172 120.400 0.075 0.000 2.463 188 D HA 0.203 4.843 4.640 -0.000 0.000 0.237 188 D C -0.100 176.255 176.300 0.091 0.000 1.013 188 D CA 0.076 54.133 54.000 0.096 0.000 0.910 188 D CB 0.409 41.303 40.800 0.156 0.000 1.080 188 D HN 0.326 nan 8.370 nan 0.000 0.498 189 L N 0.953 122.222 121.223 0.078 0.000 2.376 189 L HA 0.557 4.897 4.340 -0.000 0.000 0.275 189 L C -1.932 174.833 176.870 -0.176 0.000 0.987 189 L CA -0.948 53.842 54.840 -0.085 0.000 0.828 189 L CB 1.744 43.718 42.059 -0.142 0.000 1.249 189 L HN -0.116 nan 8.230 nan 0.000 0.409 190 L N 5.115 126.187 121.223 -0.252 0.000 2.333 190 L HA 0.629 4.968 4.340 -0.000 0.000 0.280 190 L C -1.407 175.291 176.870 -0.288 0.000 1.004 190 L CA 0.076 54.814 54.840 -0.169 0.000 0.820 190 L CB 1.420 43.438 42.059 -0.067 0.000 1.247 190 L HN 0.518 nan 8.230 nan 0.000 0.416 191 F N 6.112 126.088 119.950 0.044 0.000 2.415 191 F HA 0.639 5.166 4.527 -0.000 0.000 0.348 191 F C -0.300 175.545 175.800 0.075 0.000 1.119 191 F CA -0.557 57.482 58.000 0.066 0.000 1.069 191 F CB 1.699 40.769 39.000 0.116 0.000 1.124 191 F HN 0.381 nan 8.300 nan 0.000 0.472 192 L N 2.274 123.634 121.223 0.228 0.000 2.445 192 L HA 0.693 5.033 4.340 -0.000 0.000 0.262 192 L C -0.888 176.030 176.870 0.080 0.000 0.974 192 L CA -0.215 54.705 54.840 0.133 0.000 0.822 192 L CB 2.177 44.270 42.059 0.056 0.000 1.339 192 L HN 0.416 nan 8.230 nan 0.000 0.409 193 S N 1.506 117.239 115.700 0.055 0.000 2.654 193 S HA 0.425 4.895 4.470 -0.000 0.000 0.283 193 S C 0.781 175.368 174.600 -0.021 0.000 1.180 193 S CA -0.291 57.908 58.200 -0.001 0.000 1.021 193 S CB 1.138 64.345 63.200 0.011 0.000 1.018 193 S HN 0.896 nan 8.310 nan 0.000 0.532 194 E N 1.559 121.722 120.200 -0.062 0.000 2.058 194 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 194 E C 1.559 178.140 176.600 -0.033 0.000 0.997 194 E CA 1.616 57.972 56.400 -0.074 0.000 0.801 194 E CB -0.124 29.511 29.700 -0.108 0.000 0.746 194 E HN 0.668 nan 8.360 nan 0.000 0.450 195 E N 1.100 121.293 120.200 -0.012 0.000 2.049 195 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 195 E C 1.942 178.558 176.600 0.026 0.000 1.007 195 E CA 1.433 57.839 56.400 0.011 0.000 0.809 195 E CB -0.133 29.585 29.700 0.030 0.000 0.749 195 E HN 0.299 nan 8.360 nan 0.000 0.450 196 E N 0.375 120.604 120.200 0.048 0.000 2.049 196 E HA -0.278 4.072 4.350 -0.000 0.000 0.198 196 E C 2.164 178.792 176.600 0.047 0.000 1.007 196 E CA 1.187 57.625 56.400 0.063 0.000 0.809 196 E CB -0.318 29.448 29.700 0.111 0.000 0.749 196 E HN 0.308 nan 8.360 nan 0.000 0.450 197 A N 1.449 124.301 122.820 0.054 0.000 1.908 197 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 197 A C 2.004 179.654 177.584 0.111 0.000 1.181 197 A CA 1.694 53.784 52.037 0.088 0.000 0.627 197 A CB -0.483 18.503 19.000 -0.025 0.000 0.818 197 A HN 0.200 nan 8.150 nan 0.000 0.445 198 E N -0.887 119.332 120.200 0.033 0.000 2.106 198 E HA -0.117 4.233 4.350 -0.000 0.000 0.192 198 E C 1.919 178.515 176.600 -0.008 0.000 0.984 198 E CA 1.029 57.437 56.400 0.014 0.000 0.806 198 E CB -0.176 29.521 29.700 -0.006 0.000 0.750 198 E HN 0.642 nan 8.360 nan 0.000 0.458 199 L N 0.608 121.814 121.223 -0.027 0.000 2.478 199 L HA -0.038 4.301 4.340 -0.000 0.000 0.223 199 L C 1.602 178.357 176.870 -0.192 0.000 1.140 199 L CA 0.542 55.334 54.840 -0.080 0.000 0.842 199 L CB 0.252 42.280 42.059 -0.050 0.000 0.953 199 L HN 0.104 nan 8.230 nan 0.000 0.452 200 L N -2.486 118.630 121.223 -0.179 0.000 2.685 200 L HA 0.162 4.501 4.340 -0.000 0.000 0.235 200 L C 0.418 176.919 176.870 -0.615 0.000 1.070 200 L CA 0.024 54.621 54.840 -0.405 0.000 0.888 200 L CB 0.413 42.248 42.059 -0.373 0.000 1.203 200 L HN 0.086 nan 8.230 nan 0.000 0.499 201 F N -0.449 119.425 119.950 -0.128 0.000 2.791 201 F HA 0.452 4.979 4.527 -0.000 0.000 0.316 201 F C 1.441 177.193 175.800 -0.081 0.000 1.134 201 F CA 0.212 58.152 58.000 -0.100 0.000 1.222 201 F CB 0.619 39.562 39.000 -0.094 0.000 1.034 201 F HN 0.046 nan 8.300 nan 0.000 0.516 202 G N 1.224 110.039 108.800 0.025 0.000 4.148 202 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.221 202 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.221 202 G C 0.596 175.506 174.900 0.016 0.000 1.373 202 G CA 0.104 45.208 45.100 0.007 0.000 0.940 202 G HN 0.334 nan 8.290 nan 0.000 0.610 203 R N -0.773 119.746 120.500 0.031 0.000 2.725 203 R HA 0.533 4.873 4.340 -0.000 0.000 0.277 203 R C 1.314 177.606 176.300 -0.014 0.000 0.987 203 R CA -0.371 55.730 56.100 0.002 0.000 0.901 203 R CB 2.096 32.392 30.300 -0.007 0.000 1.207 203 R HN 0.146 nan 8.270 nan 0.000 0.463 204 V N 1.815 121.700 119.914 -0.047 0.000 2.511 204 V HA -0.320 3.800 4.120 -0.000 0.000 0.257 204 V C 1.524 177.547 176.094 -0.118 0.000 1.088 204 V CA 2.063 64.307 62.300 -0.093 0.000 1.098 204 V CB -0.654 31.090 31.823 -0.133 0.000 0.674 204 V HN 0.743 nan 8.190 nan 0.000 0.470 205 E N 0.111 120.259 120.200 -0.086 0.000 2.006 205 E HA -0.225 4.125 4.350 -0.000 0.000 0.192 205 E C 2.282 178.813 176.600 -0.114 0.000 0.993 205 E CA 1.307 57.651 56.400 -0.094 0.000 0.808 205 E CB -0.347 29.322 29.700 -0.051 0.000 0.764 205 E HN 0.507 nan 8.360 nan 0.000 0.449 206 E N 0.964 121.124 120.200 -0.067 0.000 2.070 206 E HA -0.220 4.130 4.350 -0.000 0.000 0.197 206 E C 1.916 178.411 176.600 -0.175 0.000 1.004 206 E CA 1.541 57.906 56.400 -0.058 0.000 0.805 206 E CB -0.552 29.171 29.700 0.038 0.000 0.744 206 E HN 0.255 nan 8.360 nan 0.000 0.451 207 A N 0.659 123.327 122.820 -0.253 0.000 1.903 207 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 207 A C 2.435 179.669 177.584 -0.584 0.000 1.191 207 A CA 1.977 53.567 52.037 -0.744 0.000 0.638 207 A CB -1.017 17.685 19.000 -0.497 0.000 0.823 207 A HN 0.368 nan 8.150 nan 0.000 0.451 208 L N -1.833 119.172 121.223 -0.364 0.000 2.083 208 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 208 L C 2.840 179.537 176.870 -0.289 0.000 1.083 208 L CA 1.436 56.077 54.840 -0.333 0.000 0.752 208 L CB -0.440 41.395 42.059 -0.373 0.000 0.899 208 L HN 0.237 nan 8.230 nan 0.000 0.433 209 R N 0.070 120.424 120.500 -0.243 0.000 2.075 209 R HA 0.021 4.361 4.340 -0.000 0.000 0.226 209 R C 2.366 178.568 176.300 -0.163 0.000 1.114 209 R CA 1.333 57.329 56.100 -0.174 0.000 0.972 209 R CB -0.991 29.236 30.300 -0.121 0.000 0.869 209 R HN 0.301 nan 8.270 nan 0.000 0.437 210 A N 0.638 123.333 122.820 -0.208 0.000 1.873 210 A HA -0.002 4.318 4.320 -0.000 0.000 0.215 210 A C 1.133 178.600 177.584 -0.196 0.000 1.186 210 A CA 0.932 52.870 52.037 -0.164 0.000 0.616 210 A CB -0.397 18.522 19.000 -0.136 0.000 0.823 210 A HN 0.199 nan 8.150 nan 0.000 0.442 211 L N 1.471 122.496 121.223 -0.331 0.000 2.796 211 L HA 0.186 4.525 4.340 -0.000 0.000 0.235 211 L C -0.306 176.458 176.870 -0.177 0.000 1.344 211 L CA -0.346 54.348 54.840 -0.243 0.000 1.245 211 L CB -0.074 41.793 42.059 -0.319 0.000 1.556 211 L HN 0.057 nan 8.230 nan 0.000 0.423 212 S N 1.779 117.396 115.700 -0.138 0.000 2.701 212 S HA 0.498 4.968 4.470 -0.000 0.000 0.317 212 S C 0.632 175.191 174.600 -0.069 0.000 1.149 212 S CA -0.454 57.682 58.200 -0.108 0.000 1.052 212 S CB 0.560 63.703 63.200 -0.095 0.000 1.257 212 S HN 0.538 nan 8.310 nan 0.000 0.532 213 A N 4.574 127.358 122.820 -0.059 0.000 2.281 213 A HA 0.716 5.036 4.320 -0.000 0.000 0.329 213 A C -1.462 176.113 177.584 -0.014 0.000 1.122 213 A CA -1.894 50.122 52.037 -0.035 0.000 0.850 213 A CB 0.024 19.003 19.000 -0.036 0.000 1.207 213 A HN 0.422 nan 8.150 nan 0.000 0.495 214 P HA -0.168 nan 4.420 nan 0.000 0.218 214 P C 0.139 177.458 177.300 0.032 0.000 1.154 214 P CA 1.725 64.835 63.100 0.018 0.000 0.872 214 P CB 0.306 32.021 31.700 0.025 0.000 0.790 215 E N -0.844 119.366 120.200 0.018 0.000 2.302 215 E HA 0.363 4.713 4.350 -0.000 0.000 0.263 215 E C -1.660 174.902 176.600 -0.064 0.000 0.897 215 E CA -0.541 55.866 56.400 0.011 0.000 0.809 215 E CB 1.280 30.997 29.700 0.028 0.000 1.270 215 E HN -0.318 nan 8.360 nan 0.000 0.410 216 V N 4.027 123.939 119.914 -0.003 0.000 2.513 216 V HA 0.462 4.582 4.120 -0.000 0.000 0.299 216 V C -0.399 175.692 176.094 -0.006 0.000 1.035 216 V CA -0.790 61.491 62.300 -0.031 0.000 0.889 216 V CB 1.872 33.719 31.823 0.040 0.000 0.988 216 V HN 0.493 nan 8.190 nan 0.000 0.440 217 V N 5.591 125.423 119.914 -0.137 0.000 2.376 217 V HA 0.370 4.490 4.120 -0.000 0.000 0.287 217 V C -0.489 175.680 176.094 0.126 0.000 1.015 217 V CA -0.474 61.793 62.300 -0.055 0.000 0.834 217 V CB 1.518 33.157 31.823 -0.307 0.000 1.001 217 V HN 0.667 nan 8.190 nan 0.000 0.428 218 L N 6.509 127.830 121.223 0.163 0.000 2.268 218 L HA 0.467 4.807 4.340 -0.000 0.000 0.289 218 L C 0.304 177.169 176.870 -0.008 0.000 1.064 218 L CA 0.043 54.927 54.840 0.074 0.000 0.824 218 L CB 0.479 42.562 42.059 0.041 0.000 1.202 218 L HN 0.500 nan 8.230 nan 0.000 0.433 219 K N 5.446 125.807 120.400 -0.065 0.000 2.383 219 K HA 0.235 4.555 4.320 -0.000 0.000 0.286 219 K C 0.191 176.678 176.600 -0.188 0.000 1.051 219 K CA 0.169 56.308 56.287 -0.246 0.000 0.974 219 K CB 0.584 32.867 32.500 -0.363 0.000 0.968 219 K HN 0.533 nan 8.250 nan 0.000 0.475 220 R N 2.510 122.907 120.500 -0.172 0.000 2.694 220 R HA 0.115 4.454 4.340 -0.000 0.000 0.334 220 R C 0.826 177.070 176.300 -0.092 0.000 1.143 220 R CA 0.047 56.064 56.100 -0.137 0.000 1.073 220 R CB 0.444 30.666 30.300 -0.129 0.000 1.366 220 R HN 1.044 nan 8.270 nan 0.000 0.577 221 G N 1.373 110.105 108.800 -0.114 0.000 2.565 221 G HA2 -0.472 3.488 3.960 -0.000 0.000 0.295 221 G HA3 -0.472 3.488 3.960 -0.000 0.000 0.295 221 G C 0.835 175.705 174.900 -0.050 0.000 1.165 221 G CA 0.298 45.352 45.100 -0.077 0.000 0.977 221 G HN 0.395 nan 8.290 nan 0.000 0.546 222 A N -0.194 122.615 122.820 -0.018 0.000 2.123 222 A HA 0.307 4.627 4.320 -0.000 0.000 0.214 222 A C 1.886 179.479 177.584 0.015 0.000 1.152 222 A CA 1.801 53.841 52.037 0.006 0.000 0.728 222 A CB -0.201 18.806 19.000 0.011 0.000 0.814 222 A HN 0.564 nan 8.150 nan 0.000 0.464 223 K N 0.218 120.627 120.400 0.016 0.000 2.665 223 K HA 0.188 4.508 4.320 -0.000 0.000 0.196 223 K C 1.242 177.894 176.600 0.087 0.000 1.021 223 K CA 0.318 56.635 56.287 0.050 0.000 1.066 223 K CB -0.520 32.012 32.500 0.053 0.000 0.849 223 K HN 0.608 nan 8.250 nan 0.000 0.500 224 G N 1.090 109.924 108.800 0.057 0.000 2.552 224 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.267 224 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.267 224 G C -0.578 174.384 174.900 0.102 0.000 1.174 224 G CA -0.326 44.830 45.100 0.093 0.000 0.955 224 G HN 0.672 nan 8.290 nan 0.000 0.546 225 A N -2.585 120.375 122.820 0.233 0.000 2.601 225 A HA 0.513 4.833 4.320 -0.000 0.000 0.303 225 A C -1.535 176.329 177.584 0.467 0.000 1.004 225 A CA 0.374 52.561 52.037 0.250 0.000 0.742 225 A CB 0.092 19.226 19.000 0.222 0.000 1.250 225 A HN 1.722 nan 8.150 nan 0.000 0.406 226 W N 0.734 122.021 121.300 -0.022 0.000 2.496 226 W HA 0.712 5.372 4.660 -0.000 0.000 0.327 226 W C 0.339 176.683 176.519 -0.292 0.000 1.086 226 W CA -0.687 56.526 57.345 -0.220 0.000 1.222 226 W CB 1.847 31.083 29.460 -0.373 0.000 1.304 226 W HN 1.348 nan 8.180 nan 0.000 0.547 227 A N 3.400 126.120 122.820 -0.167 0.000 2.285 227 A HA 0.725 5.045 4.320 -0.000 0.000 0.310 227 A C -1.670 175.738 177.584 -0.294 0.000 1.266 227 A CA -0.559 51.411 52.037 -0.112 0.000 0.832 227 A CB -0.185 18.879 19.000 0.106 0.000 1.163 227 A HN 0.366 nan 8.150 nan 0.000 0.499 228 F N 3.437 123.446 119.950 0.097 0.000 2.303 228 F HA 0.385 4.912 4.527 -0.000 0.000 0.368 228 F C 0.927 176.750 175.800 0.038 0.000 1.105 228 F CA -0.167 57.875 58.000 0.068 0.000 1.153 228 F CB 1.080 40.117 39.000 0.061 0.000 1.362 228 F HN 0.360 nan 8.300 nan 0.000 0.511 229 V N 0.322 120.334 119.914 0.163 0.000 3.263 229 V HA 0.056 4.176 4.120 -0.000 0.000 0.208 229 V C 0.415 176.568 176.094 0.099 0.000 1.184 229 V CA -0.008 62.361 62.300 0.116 0.000 1.341 229 V CB -0.203 31.676 31.823 0.092 0.000 1.238 229 V HN 0.389 nan 8.190 nan 0.000 0.504 230 D N -0.076 120.369 120.400 0.076 0.000 2.845 230 D HA 0.392 5.032 4.640 -0.000 0.000 0.235 230 D C 1.196 177.535 176.300 0.064 0.000 1.158 230 D CA 0.826 54.861 54.000 0.058 0.000 0.990 230 D CB -0.335 40.490 40.800 0.041 0.000 1.094 230 D HN 0.682 nan 8.370 nan 0.000 0.486 231 G N 2.157 111.008 108.800 0.086 0.000 2.322 231 G HA2 -0.408 3.551 3.960 -0.000 0.000 0.264 231 G HA3 -0.408 3.551 3.960 -0.000 0.000 0.264 231 G C 0.818 175.791 174.900 0.122 0.000 0.992 231 G CA 0.478 45.631 45.100 0.090 0.000 0.624 231 G HN 0.576 nan 8.290 nan 0.000 0.543 232 R N 0.850 121.411 120.500 0.101 0.000 2.641 232 R HA 0.486 4.826 4.340 -0.000 0.000 0.269 232 R C 0.049 176.411 176.300 0.104 0.000 1.074 232 R CA -0.266 55.879 56.100 0.074 0.000 1.133 232 R CB 0.168 30.488 30.300 0.034 0.000 1.029 232 R HN 0.383 nan 8.270 nan 0.000 0.488 233 R N 2.836 123.351 120.500 0.026 0.000 2.402 233 R HA 0.263 4.602 4.340 -0.000 0.000 0.290 233 R C -0.878 175.252 176.300 -0.283 0.000 1.321 233 R CA -0.658 55.359 56.100 -0.138 0.000 1.283 233 R CB 1.395 31.720 30.300 0.042 0.000 1.111 233 R HN 0.229 nan 8.270 nan 0.000 0.578 234 V N 1.567 121.329 119.914 -0.254 0.000 2.686 234 V HA 0.155 4.275 4.120 -0.000 0.000 0.295 234 V C 0.549 176.480 176.094 -0.273 0.000 1.055 234 V CA -0.222 61.957 62.300 -0.202 0.000 1.050 234 V CB 1.375 33.146 31.823 -0.088 0.000 0.984 234 V HN 0.632 nan 8.190 nan 0.000 0.482 235 E N 1.564 121.607 120.200 -0.261 0.000 2.227 235 E HA 0.696 5.046 4.350 -0.000 0.000 0.268 235 E C -0.288 176.262 176.600 -0.082 0.000 0.907 235 E CA -0.521 55.715 56.400 -0.273 0.000 0.786 235 E CB 2.036 31.457 29.700 -0.465 0.000 1.191 235 E HN 0.874 nan 8.360 nan 0.000 0.411 236 G N 1.036 109.854 108.800 0.031 0.000 2.662 236 G HA2 0.394 4.354 3.960 -0.000 0.000 0.302 236 G HA3 0.394 4.354 3.960 -0.000 0.000 0.302 236 G C -1.326 173.609 174.900 0.058 0.000 1.389 236 G CA -0.529 44.605 45.100 0.058 0.000 0.998 236 G HN 0.347 nan 8.290 nan 0.000 0.502 237 S N 0.371 116.053 115.700 -0.030 0.000 2.489 237 S HA 0.721 5.191 4.470 -0.000 0.000 0.291 237 S C 0.708 175.214 174.600 -0.158 0.000 1.151 237 S CA -0.127 58.032 58.200 -0.068 0.000 1.082 237 S CB 0.959 64.094 63.200 -0.107 0.000 1.019 237 S HN 1.291 nan 8.310 nan 0.000 0.492 238 A N 3.701 126.479 122.820 -0.070 0.000 2.366 238 A HA 0.553 4.873 4.320 -0.000 0.000 0.249 238 A C -0.499 177.004 177.584 -0.135 0.000 1.084 238 A CA -0.220 51.799 52.037 -0.030 0.000 0.794 238 A CB -0.131 18.901 19.000 0.054 0.000 1.034 238 A HN 0.779 nan 8.150 nan 0.000 0.491 239 F N 0.912 120.896 119.950 0.057 0.000 2.420 239 F HA 0.433 4.960 4.527 -0.000 0.000 0.352 239 F C 1.194 177.011 175.800 0.029 0.000 1.108 239 F CA 0.231 58.256 58.000 0.042 0.000 1.162 239 F CB 1.019 40.045 39.000 0.043 0.000 1.118 239 F HN 0.646 nan 8.300 nan 0.000 0.510 240 A N 4.203 127.120 122.820 0.161 0.000 2.513 240 A HA 0.405 4.725 4.320 -0.000 0.000 0.274 240 A C -0.231 177.415 177.584 0.104 0.000 1.115 240 A CA 0.129 52.226 52.037 0.100 0.000 0.792 240 A CB -0.323 18.718 19.000 0.069 0.000 1.053 240 A HN 0.665 nan 8.150 nan 0.000 0.515 241 V N 2.363 122.324 119.914 0.078 0.000 3.188 241 V HA 0.426 4.546 4.120 -0.000 0.000 0.305 241 V C -0.511 175.598 176.094 0.026 0.000 1.232 241 V CA -0.781 61.551 62.300 0.053 0.000 1.043 241 V CB 2.211 34.069 31.823 0.057 0.000 1.068 241 V HN 0.928 nan 8.190 nan 0.000 0.439 242 E N 3.042 123.247 120.200 0.009 0.000 2.001 242 E HA 0.582 4.932 4.350 -0.000 0.000 0.279 242 E C 0.060 176.644 176.600 -0.027 0.000 1.045 242 E CA -0.283 56.112 56.400 -0.008 0.000 0.833 242 E CB 0.997 30.691 29.700 -0.010 0.000 1.077 242 E HN 0.981 nan 8.360 nan 0.000 0.397 243 A N 4.329 127.128 122.820 -0.035 0.000 2.540 243 A HA 0.011 4.331 4.320 -0.000 0.000 0.264 243 A C 0.884 178.405 177.584 -0.104 0.000 1.080 243 A CA -0.033 51.965 52.037 -0.065 0.000 0.776 243 A CB 0.180 19.138 19.000 -0.070 0.000 1.011 243 A HN 0.594 nan 8.150 nan 0.000 0.514 244 V N 2.342 122.191 119.914 -0.109 0.000 2.339 244 V HA 0.030 4.149 4.120 -0.000 0.000 0.234 244 V C 0.915 176.875 176.094 -0.223 0.000 1.053 244 V CA 1.863 64.085 62.300 -0.131 0.000 1.042 244 V CB -0.335 31.435 31.823 -0.089 0.000 0.678 244 V HN 0.951 nan 8.190 nan 0.000 0.475 245 D N 0.519 120.803 120.400 -0.194 0.000 2.378 245 D HA 0.269 4.909 4.640 -0.000 0.000 0.265 245 D C -1.854 174.362 176.300 -0.139 0.000 1.229 245 D CA -1.785 52.075 54.000 -0.235 0.000 0.914 245 D CB 1.528 42.260 40.800 -0.114 0.000 1.140 245 D HN 0.115 nan 8.370 nan 0.000 0.516 246 P HA -0.125 nan 4.420 nan 0.000 0.227 246 P C 0.228 177.547 177.300 0.032 0.000 1.145 246 P CA 0.278 63.349 63.100 -0.048 0.000 0.769 246 P CB 0.063 31.732 31.700 -0.050 0.000 0.769 247 V N 0.326 120.290 119.914 0.084 0.000 2.572 247 V HA 0.372 4.492 4.120 -0.000 0.000 0.291 247 V C 1.826 177.959 176.094 0.065 0.000 1.039 247 V CA 1.081 63.452 62.300 0.119 0.000 1.055 247 V CB -0.133 31.806 31.823 0.194 0.000 0.969 247 V HN 0.434 nan 8.190 nan 0.000 0.482 248 G N 3.648 112.489 108.800 0.068 0.000 2.176 248 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.253 248 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.253 248 G C 0.957 175.878 174.900 0.035 0.000 0.979 248 G CA 0.493 45.626 45.100 0.055 0.000 0.641 248 G HN 1.285 nan 8.290 nan 0.000 0.530 249 A N 0.381 123.220 122.820 0.030 0.000 1.930 249 A HA 0.372 4.691 4.320 -0.000 0.000 0.217 249 A C 2.745 180.360 177.584 0.052 0.000 1.175 249 A CA 2.205 54.262 52.037 0.033 0.000 0.627 249 A CB -0.920 18.093 19.000 0.022 0.000 0.815 249 A HN 1.577 nan 8.150 nan 0.000 0.443 250 G N 0.142 108.960 108.800 0.030 0.000 2.422 250 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.218 250 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.218 250 G C 1.019 175.930 174.900 0.017 0.000 1.146 250 G CA 1.213 46.327 45.100 0.024 0.000 0.769 250 G HN 0.510 nan 8.290 nan 0.000 0.547 251 D N 1.308 121.706 120.400 -0.004 0.000 2.149 251 D HA 0.005 4.645 4.640 -0.000 0.000 0.201 251 D C 2.730 178.970 176.300 -0.101 0.000 0.972 251 D CA 1.129 55.095 54.000 -0.057 0.000 0.835 251 D CB -0.591 40.205 40.800 -0.007 0.000 0.966 251 D HN 0.324 nan 8.370 nan 0.000 0.476 252 A N 0.513 123.313 122.820 -0.033 0.000 1.930 252 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 252 A C 2.038 179.597 177.584 -0.041 0.000 1.175 252 A CA 0.797 52.809 52.037 -0.041 0.000 0.627 252 A CB -0.944 18.056 19.000 -0.000 0.000 0.815 252 A HN 0.216 nan 8.150 nan 0.000 0.443 253 F N 1.139 121.006 119.950 -0.139 0.000 2.102 253 F HA -0.088 4.439 4.527 -0.000 0.000 0.298 253 F C 2.514 178.169 175.800 -0.242 0.000 1.105 253 F CA 1.285 59.214 58.000 -0.118 0.000 1.239 253 F CB -0.557 38.388 39.000 -0.093 0.000 0.991 253 F HN 0.248 nan 8.300 nan 0.000 0.474 254 A N 0.643 123.157 122.820 -0.510 0.000 1.883 254 A HA -0.133 4.187 4.320 -0.000 0.000 0.217 254 A C 2.445 179.690 177.584 -0.566 0.000 1.186 254 A CA 2.154 53.548 52.037 -1.072 0.000 0.624 254 A CB -1.696 16.588 19.000 -1.193 0.000 0.822 254 A HN 0.564 nan 8.150 nan 0.000 0.444 255 A N -0.608 121.966 122.820 -0.410 0.000 1.908 255 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 255 A C 2.416 179.841 177.584 -0.264 0.000 1.181 255 A CA 2.110 53.965 52.037 -0.303 0.000 0.627 255 A CB -1.408 17.454 19.000 -0.231 0.000 0.818 255 A HN 0.796 nan 8.150 nan 0.000 0.445 256 G N -2.286 106.365 108.800 -0.248 0.000 2.408 256 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 256 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 256 G C 1.548 176.314 174.900 -0.223 0.000 1.150 256 G CA 1.154 46.123 45.100 -0.220 0.000 0.776 256 G HN 0.554 nan 8.290 nan 0.000 0.542 257 Y N 1.032 121.138 120.300 -0.323 0.000 2.163 257 Y HA -0.004 4.546 4.550 -0.000 0.000 0.288 257 Y C 2.779 178.593 175.900 -0.144 0.000 1.136 257 Y CA 1.229 59.216 58.100 -0.188 0.000 1.147 257 Y CB -0.088 38.349 38.460 -0.040 0.000 0.987 257 Y HN 0.061 nan 8.280 nan 0.000 0.509 258 L N -0.703 120.532 121.223 0.021 0.000 2.012 258 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 258 L C 2.741 179.498 176.870 -0.188 0.000 1.073 258 L CA 1.285 56.078 54.840 -0.078 0.000 0.748 258 L CB -1.316 40.625 42.059 -0.195 0.000 0.891 258 L HN 0.284 nan 8.230 nan 0.000 0.431 259 A N 0.750 123.338 122.820 -0.388 0.000 1.883 259 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 259 A C 2.450 179.509 177.584 -0.875 0.000 1.186 259 A CA 1.910 53.452 52.037 -0.826 0.000 0.624 259 A CB -1.337 17.082 19.000 -0.969 0.000 0.822 259 A HN 0.457 nan 8.150 nan 0.000 0.444 260 G N -0.677 107.850 108.800 -0.455 0.000 2.418 260 G HA2 -0.004 3.955 3.960 -0.000 0.000 0.217 260 G HA3 -0.004 3.955 3.960 -0.000 0.000 0.217 260 G C 1.731 176.581 174.900 -0.084 0.000 1.158 260 G CA 1.551 46.541 45.100 -0.183 0.000 0.771 260 G HN 0.810 nan 8.290 nan 0.000 0.545 261 A N 0.212 122.988 122.820 -0.075 0.000 1.855 261 A HA 0.086 4.406 4.320 -0.000 0.000 0.215 261 A C 2.587 180.220 177.584 0.082 0.000 1.191 261 A CA 1.763 53.854 52.037 0.089 0.000 0.613 261 A CB -0.788 18.417 19.000 0.342 0.000 0.829 261 A HN 0.260 nan 8.150 nan 0.000 0.442 262 V N -1.564 118.358 119.914 0.014 0.000 2.380 262 V HA -0.256 3.864 4.120 -0.000 0.000 0.251 262 V C 1.995 178.146 176.094 0.096 0.000 1.063 262 V CA 1.561 63.854 62.300 -0.012 0.000 1.055 262 V CB -0.876 30.852 31.823 -0.158 0.000 0.657 262 V HN 0.797 nan 8.190 nan 0.000 0.455 263 W N -0.049 121.265 121.300 0.024 0.000 3.345 263 W HA 0.463 5.123 4.660 -0.000 0.000 0.282 263 W C 1.622 178.138 176.519 -0.005 0.000 1.302 263 W CA 0.112 57.458 57.345 0.003 0.000 1.724 263 W CB -1.232 28.223 29.460 -0.007 0.000 1.104 263 W HN 0.429 nan 8.180 nan 0.000 0.694 264 G N 1.884 110.793 108.800 0.182 0.000 2.371 264 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.299 264 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.299 264 G C -0.137 174.820 174.900 0.094 0.000 1.014 264 G CA -0.097 45.066 45.100 0.105 0.000 1.097 264 G HN 0.193 nan 8.290 nan 0.000 0.512 265 L N -0.059 121.220 121.223 0.094 0.000 2.379 265 L HA 0.446 4.786 4.340 -0.000 0.000 0.269 265 L C -1.496 175.378 176.870 0.007 0.000 1.084 265 L CA -2.378 52.498 54.840 0.061 0.000 0.802 265 L CB 1.253 43.362 42.059 0.082 0.000 1.175 265 L HN -0.027 nan 8.230 nan 0.000 0.448 266 P HA -0.029 nan 4.420 nan 0.000 0.269 266 P C 0.813 178.090 177.300 -0.039 0.000 1.217 266 P CA -0.320 62.776 63.100 -0.008 0.000 0.783 266 P CB 0.574 32.272 31.700 -0.003 0.000 0.898 267 V N 1.193 121.093 119.914 -0.024 0.000 2.469 267 V HA -0.250 3.869 4.120 -0.000 0.000 0.251 267 V C 1.854 177.923 176.094 -0.042 0.000 1.064 267 V CA 1.949 64.232 62.300 -0.028 0.000 1.066 267 V CB -1.247 30.595 31.823 0.032 0.000 0.667 267 V HN 0.557 nan 8.190 nan 0.000 0.461 268 E N 0.475 120.659 120.200 -0.025 0.000 2.077 268 E HA -0.185 4.164 4.350 -0.000 0.000 0.193 268 E C 2.224 178.813 176.600 -0.018 0.000 0.989 268 E CA 1.429 57.820 56.400 -0.016 0.000 0.800 268 E CB -0.269 29.424 29.700 -0.012 0.000 0.746 268 E HN 0.698 nan 8.360 nan 0.000 0.452 269 E N 0.244 120.427 120.200 -0.028 0.000 2.216 269 E HA -0.046 4.304 4.350 -0.000 0.000 0.192 269 E C 2.077 178.632 176.600 -0.075 0.000 0.988 269 E CA 0.372 56.763 56.400 -0.014 0.000 0.834 269 E CB -0.007 29.699 29.700 0.011 0.000 0.772 269 E HN 0.157 nan 8.360 nan 0.000 0.479 270 R N 0.523 120.896 120.500 -0.210 0.000 2.073 270 R HA -0.020 4.320 4.340 -0.000 0.000 0.229 270 R C 2.439 178.457 176.300 -0.470 0.000 1.120 270 R CA 0.715 56.508 56.100 -0.512 0.000 0.967 270 R CB -0.210 29.511 30.300 -0.966 0.000 0.862 270 R HN 0.167 nan 8.270 nan 0.000 0.436 271 L N 0.588 121.692 121.223 -0.198 0.000 2.056 271 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 271 L C 2.899 179.840 176.870 0.118 0.000 1.078 271 L CA 1.121 56.018 54.840 0.096 0.000 0.749 271 L CB -0.334 41.835 42.059 0.183 0.000 0.901 271 L HN 0.195 nan 8.230 nan 0.000 0.433 272 R N 0.217 120.767 120.500 0.084 0.000 2.080 272 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 272 R C 2.326 178.758 176.300 0.221 0.000 1.137 272 R CA 2.024 58.226 56.100 0.171 0.000 0.943 272 R CB -0.546 29.834 30.300 0.134 0.000 0.846 272 R HN 0.231 nan 8.270 nan 0.000 0.431 273 L N 1.079 122.355 121.223 0.089 0.000 2.012 273 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 273 L C 2.448 179.328 176.870 0.017 0.000 1.073 273 L CA 2.289 57.157 54.840 0.047 0.000 0.748 273 L CB -0.977 41.075 42.059 -0.011 0.000 0.891 273 L HN 0.329 nan 8.230 nan 0.000 0.431 274 A N -0.447 122.338 122.820 -0.058 0.000 1.865 274 A HA -0.252 4.067 4.320 -0.000 0.000 0.217 274 A C 2.124 179.791 177.584 0.138 0.000 1.191 274 A CA 1.997 53.913 52.037 -0.201 0.000 0.623 274 A CB -0.913 17.691 19.000 -0.660 0.000 0.826 274 A HN 0.610 nan 8.150 nan 0.000 0.444 275 N N -0.413 118.514 118.700 0.379 0.000 2.289 275 N HA -0.122 4.618 4.740 -0.000 0.000 0.184 275 N C 1.518 177.328 175.510 0.501 0.000 1.016 275 N CA 1.287 54.670 53.050 0.555 0.000 0.872 275 N CB -0.478 38.303 38.487 0.490 0.000 0.973 275 N HN 0.425 nan 8.380 nan 0.000 0.433 276 L N 0.422 121.846 121.223 0.334 0.000 2.027 276 L HA -0.025 4.315 4.340 -0.000 0.000 0.206 276 L C 1.767 178.597 176.870 -0.067 0.000 1.074 276 L CA 1.320 56.090 54.840 -0.117 0.000 0.745 276 L CB -0.682 41.268 42.059 -0.181 0.000 0.898 276 L HN -0.007 nan 8.230 nan 0.000 0.433 277 L N -0.189 121.038 121.223 0.006 0.000 2.056 277 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 277 L C 2.560 179.454 176.870 0.040 0.000 1.078 277 L CA 1.832 56.665 54.840 -0.011 0.000 0.749 277 L CB -1.654 40.382 42.059 -0.038 0.000 0.901 277 L HN 0.355 nan 8.230 nan 0.000 0.433 278 G N -1.106 107.779 108.800 0.141 0.000 2.422 278 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 278 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 278 G C 1.705 176.665 174.900 0.099 0.000 1.146 278 G CA 0.854 46.051 45.100 0.161 0.000 0.769 278 G HN 0.486 nan 8.290 nan 0.000 0.547 279 A N 1.370 124.259 122.820 0.115 0.000 1.873 279 A HA -0.004 4.316 4.320 -0.000 0.000 0.215 279 A C 2.767 180.357 177.584 0.011 0.000 1.186 279 A CA 2.467 54.553 52.037 0.082 0.000 0.616 279 A CB -0.794 18.285 19.000 0.132 0.000 0.823 279 A HN 0.638 nan 8.150 nan 0.000 0.442 280 S N -0.054 115.629 115.700 -0.027 0.000 2.370 280 S HA -0.149 4.321 4.470 -0.000 0.000 0.226 280 S C 1.702 176.280 174.600 -0.037 0.000 1.033 280 S CA 1.603 59.776 58.200 -0.045 0.000 1.011 280 S CB -1.014 62.147 63.200 -0.066 0.000 0.852 280 S HN 0.266 nan 8.310 nan 0.000 0.457 281 V N 2.320 122.216 119.914 -0.030 0.000 2.548 281 V HA 0.021 4.140 4.120 -0.000 0.000 0.249 281 V C 2.993 179.062 176.094 -0.042 0.000 1.055 281 V CA 1.262 63.538 62.300 -0.040 0.000 1.065 281 V CB -1.389 30.421 31.823 -0.023 0.000 0.681 281 V HN 0.638 nan 8.190 nan 0.000 0.462 282 A N 0.324 123.131 122.820 -0.022 0.000 1.930 282 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 282 A C 2.142 179.697 177.584 -0.048 0.000 1.175 282 A CA 1.644 53.663 52.037 -0.030 0.000 0.627 282 A CB -0.514 18.483 19.000 -0.006 0.000 0.815 282 A HN 0.582 nan 8.150 nan 0.000 0.443 283 A N -0.852 121.947 122.820 -0.036 0.000 2.291 283 A HA 0.515 4.835 4.320 -0.000 0.000 0.220 283 A C 0.573 178.128 177.584 -0.049 0.000 1.262 283 A CA 0.449 52.463 52.037 -0.039 0.000 0.867 283 A CB -0.302 18.685 19.000 -0.022 0.000 0.888 283 A HN 0.272 nan 8.150 nan 0.000 0.487 284 S N -0.799 114.861 115.700 -0.068 0.000 2.564 284 S HA 0.511 4.981 4.470 -0.000 0.000 0.274 284 S C -0.239 174.285 174.600 -0.126 0.000 1.124 284 S CA -0.842 57.309 58.200 -0.081 0.000 0.869 284 S CB 1.464 64.616 63.200 -0.079 0.000 1.105 284 S HN 0.536 nan 8.310 nan 0.000 0.472 285 R N 0.628 121.044 120.500 -0.140 0.000 2.577 285 R HA 0.669 5.009 4.340 -0.000 0.000 0.269 285 R C 0.706 176.686 176.300 -0.533 0.000 1.084 285 R CA 0.227 56.198 56.100 -0.215 0.000 1.163 285 R CB 0.296 30.547 30.300 -0.081 0.000 1.100 285 R HN 1.029 nan 8.270 nan 0.000 0.547 286 G N 0.974 109.289 108.800 -0.809 0.000 2.712 286 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.683 286 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.683 286 G C -0.394 174.196 174.900 -0.516 0.000 1.320 286 G CA -0.277 44.003 45.100 -1.367 0.000 0.847 286 G HN 0.580 nan 8.290 nan 0.000 0.553 287 D N -0.158 120.040 120.400 -0.337 0.000 2.183 287 D HA 0.072 4.712 4.640 -0.000 0.000 0.205 287 D C 1.702 177.989 176.300 -0.022 0.000 0.962 287 D CA 1.962 55.928 54.000 -0.056 0.000 0.849 287 D CB -0.047 40.831 40.800 0.131 0.000 0.978 287 D HN 0.783 nan 8.370 nan 0.000 0.488 288 H N -1.878 117.130 119.070 -0.103 0.000 3.233 288 H HA 0.276 4.832 4.556 -0.000 0.000 0.252 288 H C 0.444 175.710 175.328 -0.104 0.000 1.175 288 H CA -0.105 55.888 56.048 -0.091 0.000 1.018 288 H CB 0.278 29.995 29.762 -0.075 0.000 2.006 288 H HN -0.115 nan 8.280 nan 0.000 0.714 289 E N 1.706 121.658 120.200 -0.413 0.000 2.265 289 E HA -0.037 4.313 4.350 -0.000 0.000 0.196 289 E C 2.005 178.534 176.600 -0.119 0.000 0.996 289 E CA 1.059 57.293 56.400 -0.276 0.000 0.832 289 E CB -0.088 29.444 29.700 -0.280 0.000 0.756 289 E HN 0.694 nan 8.360 nan 0.000 0.491 290 G N 1.062 109.796 108.800 -0.109 0.000 2.712 290 G HA2 0.107 4.067 3.960 -0.000 0.000 0.212 290 G HA3 0.107 4.067 3.960 -0.000 0.000 0.212 290 G C 0.733 175.588 174.900 -0.074 0.000 1.142 290 G CA 0.311 45.370 45.100 -0.068 0.000 0.789 290 G HN 0.276 nan 8.290 nan 0.000 0.535 291 A N 1.931 124.698 122.820 -0.089 0.000 2.580 291 A HA 0.413 4.733 4.320 -0.000 0.000 0.244 291 A C -1.500 175.922 177.584 -0.270 0.000 1.045 291 A CA -0.517 51.435 52.037 -0.141 0.000 0.761 291 A CB 0.175 19.101 19.000 -0.123 0.000 0.962 291 A HN 0.273 nan 8.150 nan 0.000 0.512 292 P HA 0.347 nan 4.420 nan 0.000 0.276 292 P C -0.980 176.135 177.300 -0.308 0.000 1.261 292 P CA -0.020 62.976 63.100 -0.174 0.000 0.800 292 P CB 0.488 32.162 31.700 -0.043 0.000 1.066 293 Y N -0.964 119.347 120.300 0.018 0.000 2.519 293 Y HA 0.395 4.945 4.550 -0.000 0.000 0.324 293 Y C 2.371 178.297 175.900 0.044 0.000 1.214 293 Y CA -0.739 57.380 58.100 0.031 0.000 1.260 293 Y CB 0.421 38.895 38.460 0.023 0.000 1.311 293 Y HN 0.338 nan 8.280 nan 0.000 0.505 294 R N 1.111 121.743 120.500 0.219 0.000 2.094 294 R HA -0.223 4.117 4.340 -0.000 0.000 0.239 294 R C 1.534 177.899 176.300 0.107 0.000 1.137 294 R CA 2.455 58.649 56.100 0.156 0.000 0.943 294 R CB -0.300 30.082 30.300 0.136 0.000 0.850 294 R HN 0.947 nan 8.270 nan 0.000 0.433 295 E N 0.055 120.319 120.200 0.106 0.000 2.219 295 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 295 E C 1.082 177.714 176.600 0.053 0.000 0.998 295 E CA 1.473 57.906 56.400 0.055 0.000 0.818 295 E CB -0.283 29.433 29.700 0.027 0.000 0.741 295 E HN 0.537 nan 8.360 nan 0.000 0.477 296 D N 1.169 121.626 120.400 0.094 0.000 2.123 296 D HA -0.038 4.602 4.640 -0.000 0.000 0.200 296 D C 2.259 178.582 176.300 0.039 0.000 0.976 296 D CA 0.747 54.789 54.000 0.070 0.000 0.831 296 D CB -0.038 40.826 40.800 0.106 0.000 0.974 296 D HN 0.252 nan 8.370 nan 0.000 0.469 297 L N 1.083 122.334 121.223 0.047 0.000 2.027 297 L HA -0.131 4.209 4.340 -0.000 0.000 0.206 297 L C 2.406 179.281 176.870 0.009 0.000 1.074 297 L CA 1.075 55.934 54.840 0.032 0.000 0.745 297 L CB -0.485 41.612 42.059 0.063 0.000 0.898 297 L HN -0.048 nan 8.230 nan 0.000 0.433 298 E N -0.089 120.111 120.200 0.000 0.000 2.097 298 E HA -0.225 4.124 4.350 -0.000 0.000 0.196 298 E C 2.234 178.827 176.600 -0.012 0.000 1.000 298 E CA 1.589 57.977 56.400 -0.020 0.000 0.804 298 E CB -0.153 29.532 29.700 -0.025 0.000 0.740 298 E HN 0.305 nan 8.360 nan 0.000 0.454 299 V N 0.940 120.853 119.914 -0.002 0.000 2.379 299 V HA -0.156 3.964 4.120 -0.000 0.000 0.245 299 V C 1.440 177.534 176.094 -0.000 0.000 1.044 299 V CA 0.753 63.052 62.300 -0.002 0.000 1.036 299 V CB -0.179 31.644 31.823 0.001 0.000 0.664 299 V HN 0.216 nan 8.190 nan 0.000 0.453 300 L N 1.337 122.561 121.223 0.002 0.000 2.858 300 L HA 0.448 4.788 4.340 -0.000 0.000 0.243 300 L C -0.099 176.777 176.870 0.009 0.000 1.416 300 L CA 0.754 55.596 54.840 0.003 0.000 1.182 300 L CB -1.395 40.659 42.059 -0.008 0.000 1.564 300 L HN 0.250 nan 8.230 nan 0.000 0.436 301 L N 0.000 121.226 121.223 0.006 0.000 2.949 301 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 301 L CA 0.000 nan 54.840 nan 0.000 0.813 301 L CB 0.000 nan 42.059 nan 0.000 0.961 301 L HN 0.000 nan 8.230 nan 0.000 0.502