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 2eq9_1_E DATA FIRST_RESID 7 DATA SEQUENCE MKTYDLIVIG TGPGGYHAAI RAAQLGLKVL AVEAGEVGGV cLNVGcIPTK DATA SEQUENCE ALLHAAETLH HLKVAEGFGL KAXKPELDLK KLGGWRDQVV KKLTGGVGTL DATA SEQUENCE LKGNGVELLR GFARLVGPKE VEVXXXXGGE RYGAKSLILA TGSEPLELKG DATA SEQUENCE FPFGEDVWDS TRALKVEGLP KRLLVIGGGA VGLELGQVYR RLGAEVTLIE DATA SEQUENCE YMPEILPQGD PETAALLRRA LEKEGIRVRT KTKAVGYEKK KDGLHVRLEE DATA SEQUENCE GGEGEEVVVD KVLVAVGRKP RTEGLGLEKA GVKVDERGFI RVNARMETSV DATA SEQUENCE PGVYAIGDAA RPPLLAHKAM REGLIAAENA AGKDSAFDYX QVPSVVYTSP DATA SEQUENCE EWAGVGLTEE EAKRAGYKVK VGKFPLAASG RALTLGGAEG MVKVVGDEET DATA SEQUENCE DLLLGVFIVG PQAGELIAEA ALALEMGATL TDLALTVHPH PTLSESLMEA DATA SEQUENCE AEAFHKQAIH ILN 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 7 M HA 0.000 nan 4.480 nan 0.000 0.227 7 M C 0.000 176.235 176.300 -0.108 0.000 1.140 7 M CA 0.000 55.235 55.300 -0.108 0.000 0.988 7 M CB 0.000 32.562 32.600 -0.063 0.000 1.302 8 K N 2.749 123.056 120.400 -0.156 0.000 2.401 8 K HA 0.514 4.834 4.320 -0.000 0.000 0.278 8 K C -0.149 176.426 176.600 -0.042 0.000 1.018 8 K CA 0.253 56.471 56.287 -0.115 0.000 0.981 8 K CB 0.799 33.295 32.500 -0.007 0.000 0.933 8 K HN 0.621 nan 8.250 nan 0.000 0.477 9 T N -0.521 113.890 114.554 -0.238 0.000 2.916 9 T HA 0.741 5.091 4.350 -0.000 0.000 0.292 9 T C -0.910 173.545 174.700 -0.410 0.000 1.055 9 T CA -0.818 61.209 62.100 -0.121 0.000 1.009 9 T CB 0.739 69.573 68.868 -0.058 0.000 1.118 9 T HN 0.350 nan 8.240 nan 0.000 0.497 10 Y N -0.870 119.466 120.300 0.060 0.000 2.689 10 Y HA 0.433 4.983 4.550 -0.000 0.000 0.333 10 Y C 0.719 176.642 175.900 0.039 0.000 1.190 10 Y CA -1.336 56.793 58.100 0.048 0.000 1.063 10 Y CB 0.935 39.425 38.460 0.051 0.000 1.294 10 Y HN 0.548 nan 8.280 nan 0.000 0.466 11 D N 0.215 120.738 120.400 0.205 0.000 2.162 11 D HA 0.032 4.672 4.640 -0.000 0.000 0.203 11 D C -0.312 176.058 176.300 0.117 0.000 0.967 11 D CA 1.497 55.571 54.000 0.123 0.000 0.840 11 D CB 0.496 41.348 40.800 0.086 0.000 0.972 11 D HN 0.262 nan 8.370 nan 0.000 0.482 12 L N 0.148 121.443 121.223 0.119 0.000 2.455 12 L HA 0.440 4.780 4.340 -0.000 0.000 0.264 12 L C -1.704 175.164 176.870 -0.002 0.000 0.968 12 L CA -0.523 54.353 54.840 0.060 0.000 0.827 12 L CB 2.411 44.485 42.059 0.024 0.000 1.317 12 L HN -0.234 nan 8.230 nan 0.000 0.407 13 I N 5.174 125.729 120.570 -0.025 0.000 2.418 13 I HA 0.471 4.641 4.170 -0.000 0.000 0.287 13 I C -0.915 175.151 176.117 -0.085 0.000 1.008 13 I CA -0.871 60.359 61.300 -0.116 0.000 1.104 13 I CB 1.972 39.911 38.000 -0.102 0.000 1.264 13 I HN 0.276 nan 8.210 nan 0.000 0.438 14 V N 7.450 127.297 119.914 -0.113 0.000 2.398 14 V HA 0.403 4.523 4.120 -0.000 0.000 0.286 14 V C 0.200 176.231 176.094 -0.106 0.000 1.026 14 V CA -0.482 61.770 62.300 -0.080 0.000 0.868 14 V CB 1.780 33.567 31.823 -0.060 0.000 0.982 14 V HN 0.473 nan 8.190 nan 0.000 0.443 15 I N 4.935 125.448 120.570 -0.094 0.000 2.287 15 I HA 0.671 4.841 4.170 -0.000 0.000 0.290 15 I C 0.732 176.789 176.117 -0.100 0.000 1.069 15 I CA 0.078 61.302 61.300 -0.127 0.000 1.237 15 I CB 0.856 38.767 38.000 -0.148 0.000 1.418 15 I HN 0.891 nan 8.210 nan 0.000 0.481 16 G N 3.437 112.183 108.800 -0.090 0.000 2.885 16 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.685 16 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.685 16 G C -0.109 174.786 174.900 -0.008 0.000 1.216 16 G CA -0.360 44.710 45.100 -0.050 0.000 0.790 16 G HN 0.659 nan 8.290 nan 0.000 0.631 17 T N -0.096 114.473 114.554 0.025 0.000 3.293 17 T HA 0.638 4.988 4.350 -0.000 0.000 0.276 17 T C 1.240 176.059 174.700 0.198 0.000 1.003 17 T CA 0.888 63.046 62.100 0.098 0.000 0.916 17 T CB 0.678 69.580 68.868 0.057 0.000 1.134 17 T HN 1.674 nan 8.240 nan 0.000 0.530 18 G N 2.015 110.895 108.800 0.134 0.000 2.508 18 G HA2 0.471 4.431 3.960 -0.000 0.000 0.278 18 G HA3 0.471 4.431 3.960 -0.000 0.000 0.278 18 G C -1.552 173.418 174.900 0.116 0.000 1.389 18 G CA -1.656 43.536 45.100 0.154 0.000 1.050 18 G HN 0.023 nan 8.290 nan 0.000 0.522 19 P HA -0.166 nan 4.420 nan 0.000 0.217 19 P C 2.037 179.047 177.300 -0.484 0.000 1.162 19 P CA 2.232 65.098 63.100 -0.388 0.000 0.901 19 P CB -0.058 31.519 31.700 -0.204 0.000 0.793 20 G N -0.876 107.781 108.800 -0.239 0.000 2.433 20 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 20 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 20 G C 1.816 176.653 174.900 -0.106 0.000 1.186 20 G CA 0.992 45.991 45.100 -0.168 0.000 0.779 20 G HN 0.381 nan 8.290 nan 0.000 0.543 21 G N 0.430 109.196 108.800 -0.056 0.000 2.402 21 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 21 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 21 G C 1.717 176.649 174.900 0.054 0.000 1.162 21 G CA 1.334 46.432 45.100 -0.002 0.000 0.777 21 G HN 0.655 nan 8.290 nan 0.000 0.539 22 Y N -0.307 120.020 120.300 0.045 0.000 2.373 22 Y HA 0.127 4.677 4.550 -0.000 0.000 0.293 22 Y C 2.420 178.330 175.900 0.017 0.000 1.129 22 Y CA 1.178 59.291 58.100 0.022 0.000 1.226 22 Y CB -0.733 37.734 38.460 0.013 0.000 1.000 22 Y HN 0.247 nan 8.280 nan 0.000 0.549 23 H N 0.681 119.595 119.070 -0.259 0.000 2.357 23 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 23 H C 2.370 177.653 175.328 -0.075 0.000 1.082 23 H CA 1.645 57.592 56.048 -0.168 0.000 1.342 23 H CB -0.404 29.200 29.762 -0.263 0.000 1.389 23 H HN 0.492 nan 8.280 nan 0.000 0.511 24 A N 0.622 123.462 122.820 0.034 0.000 1.877 24 A HA -0.102 4.218 4.320 -0.000 0.000 0.216 24 A C 2.527 180.102 177.584 -0.015 0.000 1.186 24 A CA 1.696 53.728 52.037 -0.009 0.000 0.620 24 A CB -1.101 17.881 19.000 -0.030 0.000 0.822 24 A HN 0.468 nan 8.150 nan 0.000 0.443 25 A N -0.102 122.719 122.820 0.002 0.000 1.877 25 A HA -0.074 4.246 4.320 -0.000 0.000 0.216 25 A C 2.148 179.730 177.584 -0.003 0.000 1.186 25 A CA 1.555 53.590 52.037 -0.003 0.000 0.620 25 A CB -0.598 18.407 19.000 0.008 0.000 0.822 25 A HN 0.492 nan 8.150 nan 0.000 0.443 26 I N -1.175 119.398 120.570 0.005 0.000 2.202 26 I HA -0.215 3.955 4.170 -0.000 0.000 0.242 26 I C 2.680 178.781 176.117 -0.026 0.000 1.091 26 I CA 1.619 62.911 61.300 -0.013 0.000 1.368 26 I CB -0.246 37.739 38.000 -0.025 0.000 1.058 26 I HN 0.271 nan 8.210 nan 0.000 0.410 27 R N 1.757 122.239 120.500 -0.031 0.000 2.096 27 R HA -0.108 4.232 4.340 -0.000 0.000 0.235 27 R C 2.133 178.419 176.300 -0.024 0.000 1.127 27 R CA 1.852 57.934 56.100 -0.029 0.000 0.968 27 R CB -0.778 29.508 30.300 -0.024 0.000 0.861 27 R HN 0.351 nan 8.270 nan 0.000 0.440 28 A N 0.218 123.023 122.820 -0.025 0.000 1.877 28 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 28 A C 2.386 179.964 177.584 -0.009 0.000 1.186 28 A CA 1.818 53.842 52.037 -0.022 0.000 0.620 28 A CB -1.099 17.886 19.000 -0.026 0.000 0.822 28 A HN 0.469 nan 8.150 nan 0.000 0.443 29 A N -0.629 122.187 122.820 -0.006 0.000 1.902 29 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 29 A C 2.087 179.670 177.584 -0.003 0.000 1.181 29 A CA 1.631 53.669 52.037 0.001 0.000 0.623 29 A CB -0.618 18.382 19.000 0.000 0.000 0.818 29 A HN 0.663 nan 8.150 nan 0.000 0.443 30 Q N -0.572 119.222 119.800 -0.010 0.000 2.181 30 Q HA -0.059 4.281 4.340 -0.000 0.000 0.205 30 Q C 1.333 177.328 176.000 -0.008 0.000 0.980 30 Q CA 1.098 56.894 55.803 -0.011 0.000 0.862 30 Q CB -0.292 28.436 28.738 -0.018 0.000 0.905 30 Q HN 0.657 nan 8.270 nan 0.000 0.429 31 L N -0.503 120.716 121.223 -0.007 0.000 2.627 31 L HA 0.164 4.504 4.340 -0.000 0.000 0.232 31 L C 0.902 177.773 176.870 0.002 0.000 1.150 31 L CA 0.243 55.081 54.840 -0.004 0.000 0.917 31 L CB -0.046 42.008 42.059 -0.007 0.000 1.104 31 L HN 0.376 nan 8.230 nan 0.000 0.445 32 G N 0.201 109.004 108.800 0.004 0.000 2.136 32 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.242 32 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.242 32 G C 0.123 175.033 174.900 0.017 0.000 0.989 32 G CA -0.218 44.888 45.100 0.010 0.000 0.682 32 G HN 0.229 nan 8.290 nan 0.000 0.522 33 L N -0.188 121.047 121.223 0.019 0.000 2.379 33 L HA 0.718 5.058 4.340 -0.000 0.000 0.269 33 L C 1.006 177.905 176.870 0.049 0.000 1.084 33 L CA -0.337 54.522 54.840 0.032 0.000 0.802 33 L CB 1.053 43.129 42.059 0.028 0.000 1.175 33 L HN 0.227 nan 8.230 nan 0.000 0.448 34 K N 2.479 122.926 120.400 0.078 0.000 2.263 34 K HA 0.556 4.876 4.320 -0.000 0.000 0.282 34 K C -0.758 175.945 176.600 0.172 0.000 1.089 34 K CA -0.371 55.991 56.287 0.125 0.000 0.907 34 K CB 0.555 33.133 32.500 0.129 0.000 1.148 34 K HN 0.373 nan 8.250 nan 0.000 0.470 35 V N 2.542 122.526 119.914 0.116 0.000 2.483 35 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 35 V C -0.530 175.510 176.094 -0.091 0.000 1.035 35 V CA -1.033 61.282 62.300 0.026 0.000 0.896 35 V CB 1.508 33.325 31.823 -0.010 0.000 0.986 35 V HN 0.804 nan 8.190 nan 0.000 0.447 36 L N 4.334 125.355 121.223 -0.336 0.000 2.305 36 L HA 0.874 5.213 4.340 -0.000 0.000 0.284 36 L C 0.067 176.739 176.870 -0.331 0.000 1.013 36 L CA -0.196 54.303 54.840 -0.568 0.000 0.819 36 L CB 1.233 42.529 42.059 -1.271 0.000 1.227 36 L HN 0.772 nan 8.230 nan 0.000 0.417 37 A N 5.407 128.086 122.820 -0.236 0.000 2.287 37 A HA 0.751 5.071 4.320 -0.000 0.000 0.317 37 A C -1.135 176.341 177.584 -0.180 0.000 1.220 37 A CA -0.534 51.404 52.037 -0.163 0.000 0.835 37 A CB 1.044 19.990 19.000 -0.090 0.000 1.180 37 A HN 0.494 nan 8.150 nan 0.000 0.500 38 V N 2.106 121.909 119.914 -0.185 0.000 2.435 38 V HA 0.615 4.735 4.120 -0.000 0.000 0.290 38 V C -0.284 175.733 176.094 -0.128 0.000 1.030 38 V CA -0.487 61.702 62.300 -0.185 0.000 0.881 38 V CB 1.446 33.125 31.823 -0.239 0.000 0.983 38 V HN 0.954 nan 8.190 nan 0.000 0.445 39 E N 3.189 123.332 120.200 -0.095 0.000 2.244 39 E HA 0.674 5.024 4.350 -0.000 0.000 0.260 39 E C 0.281 176.866 176.600 -0.025 0.000 0.884 39 E CA -0.117 56.250 56.400 -0.056 0.000 0.777 39 E CB 1.754 31.432 29.700 -0.038 0.000 1.197 39 E HN 0.650 nan 8.360 nan 0.000 0.416 40 A N 3.190 126.014 122.820 0.005 0.000 2.119 40 A HA 0.374 4.694 4.320 -0.000 0.000 0.216 40 A C 1.098 178.719 177.584 0.062 0.000 1.152 40 A CA 1.296 53.382 52.037 0.083 0.000 0.708 40 A CB -0.064 19.078 19.000 0.236 0.000 0.805 40 A HN 0.602 nan 8.150 nan 0.000 0.460 41 G N -1.159 107.661 108.800 0.033 0.000 3.340 41 G HA2 0.466 4.425 3.960 -0.000 0.000 0.176 41 G HA3 0.466 4.425 3.960 -0.000 0.000 0.176 41 G C -0.991 173.909 174.900 -0.001 0.000 1.103 41 G CA -0.407 44.703 45.100 0.017 0.000 0.779 41 G HN 0.053 nan 8.290 nan 0.000 0.673 42 E N 0.605 120.801 120.200 -0.008 0.000 2.338 42 E HA 0.345 4.695 4.350 -0.000 0.000 0.272 42 E C 0.090 176.680 176.600 -0.017 0.000 1.029 42 E CA -0.267 56.122 56.400 -0.018 0.000 0.872 42 E CB 1.853 31.538 29.700 -0.025 0.000 1.015 42 E HN 0.100 nan 8.360 nan 0.000 0.417 43 V N 1.949 121.846 119.914 -0.027 0.000 2.740 43 V HA 0.319 4.439 4.120 -0.000 0.000 0.303 43 V C 1.496 177.573 176.094 -0.028 0.000 1.054 43 V CA 1.485 63.767 62.300 -0.030 0.000 1.106 43 V CB 0.807 32.597 31.823 -0.054 0.000 0.957 43 V HN 1.004 nan 8.190 nan 0.000 0.486 44 G N 2.636 111.442 108.800 0.010 0.000 2.218 44 G HA2 0.120 4.080 3.960 -0.000 0.000 0.216 44 G HA3 0.120 4.080 3.960 -0.000 0.000 0.216 44 G C 0.882 175.841 174.900 0.098 0.000 0.994 44 G CA 0.098 45.226 45.100 0.047 0.000 0.637 44 G HN 2.226 nan 8.290 nan 0.000 0.505 45 G N -1.240 107.594 108.800 0.057 0.000 2.692 45 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.248 45 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.248 45 G C 1.127 176.041 174.900 0.023 0.000 1.340 45 G CA 0.981 46.106 45.100 0.042 0.000 0.896 45 G HN 1.301 nan 8.290 nan 0.000 0.570 46 V N -0.093 119.830 119.914 0.015 0.000 2.255 46 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 46 V C 3.187 179.283 176.094 0.004 0.000 1.051 46 V CA 3.027 65.328 62.300 0.002 0.000 1.018 46 V CB -1.234 30.589 31.823 0.000 0.000 0.641 46 V HN 1.128 nan 8.190 nan 0.000 0.445 47 c N -0.163 118.447 118.600 0.017 0.000 2.376 47 c HA -0.203 4.367 4.570 -0.000 0.000 0.275 47 c C 2.557 176.650 174.090 0.005 0.000 1.200 47 c CA 1.668 58.008 56.329 0.017 0.000 1.756 47 c CB -1.088 41.445 42.510 0.038 0.000 2.050 47 c HN 0.544 nan 8.230 nan 0.000 0.460 48 L N 1.073 122.307 121.223 0.019 0.000 2.131 48 L HA 0.030 4.370 4.340 -0.000 0.000 0.206 48 L C 2.428 179.274 176.870 -0.040 0.000 1.087 48 L CA 1.605 56.439 54.840 -0.010 0.000 0.767 48 L CB -0.819 41.241 42.059 0.002 0.000 0.917 48 L HN 0.425 nan 8.230 nan 0.000 0.441 49 N N -0.542 118.140 118.700 -0.030 0.000 2.258 49 N HA 0.014 4.754 4.740 -0.000 0.000 0.183 49 N C 1.211 176.692 175.510 -0.049 0.000 1.029 49 N CA 1.747 54.770 53.050 -0.044 0.000 0.857 49 N CB 0.565 39.031 38.487 -0.035 0.000 1.008 49 N HN 0.311 nan 8.380 nan 0.000 0.433 50 V N -3.320 116.571 119.914 -0.039 0.000 3.199 50 V HA 0.612 4.732 4.120 -0.000 0.000 0.331 50 V C 0.625 176.702 176.094 -0.028 0.000 1.446 50 V CA -0.079 62.197 62.300 -0.040 0.000 1.120 50 V CB 0.538 32.334 31.823 -0.046 0.000 1.051 50 V HN 0.131 nan 8.190 nan 0.000 0.495 51 G N -0.155 108.631 108.800 -0.023 0.000 3.267 51 G HA2 0.190 4.150 3.960 -0.000 0.000 0.200 51 G HA3 0.190 4.150 3.960 -0.000 0.000 0.200 51 G C 1.056 175.942 174.900 -0.022 0.000 1.603 51 G CA 0.693 45.786 45.100 -0.011 0.000 0.753 51 G HN 0.262 nan 8.290 nan 0.000 0.755 52 c N 0.908 119.494 118.600 -0.023 0.000 2.303 52 c HA -0.162 4.408 4.570 -0.000 0.000 0.273 52 c C 2.792 176.817 174.090 -0.108 0.000 1.154 52 c CA 0.815 57.105 56.329 -0.064 0.000 1.784 52 c CB -1.344 41.137 42.510 -0.048 0.000 1.993 52 c HN 0.423 nan 8.230 nan 0.000 0.430 53 I N 2.343 122.858 120.570 -0.091 0.000 2.076 53 I HA -0.128 4.042 4.170 -0.000 0.000 0.237 53 I C 0.180 176.220 176.117 -0.129 0.000 1.059 53 I CA 2.017 63.248 61.300 -0.116 0.000 1.317 53 I CB -2.938 34.999 38.000 -0.106 0.000 1.037 53 I HN 0.274 nan 8.210 nan 0.000 0.398 54 P HA -0.127 nan 4.420 nan 0.000 0.216 54 P C 1.670 178.934 177.300 -0.060 0.000 1.150 54 P CA 1.743 64.778 63.100 -0.109 0.000 0.837 54 P CB -0.270 31.379 31.700 -0.086 0.000 0.786 55 T N 0.227 114.759 114.554 -0.038 0.000 2.708 55 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 55 T C 1.886 176.588 174.700 0.003 0.000 1.037 55 T CA 1.684 63.786 62.100 0.003 0.000 1.146 55 T CB -0.443 68.433 68.868 0.013 0.000 0.865 55 T HN 0.086 nan 8.240 nan 0.000 0.435 56 K N 1.331 121.690 120.400 -0.067 0.000 2.097 56 K HA 0.120 4.440 4.320 -0.000 0.000 0.206 56 K C 2.348 178.983 176.600 0.059 0.000 1.049 56 K CA 1.107 57.352 56.287 -0.070 0.000 0.933 56 K CB -0.621 31.744 32.500 -0.225 0.000 0.717 56 K HN 0.309 nan 8.250 nan 0.000 0.442 57 A N 0.535 123.367 122.820 0.020 0.000 1.902 57 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 57 A C 2.104 179.903 177.584 0.359 0.000 1.181 57 A CA 1.393 53.503 52.037 0.121 0.000 0.623 57 A CB -0.673 18.132 19.000 -0.324 0.000 0.818 57 A HN 0.220 nan 8.150 nan 0.000 0.443 58 L N -0.849 120.489 121.223 0.192 0.000 2.046 58 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 58 L C 2.552 179.520 176.870 0.163 0.000 1.077 58 L CA 0.990 55.939 54.840 0.181 0.000 0.747 58 L CB -0.525 41.589 42.059 0.092 0.000 0.896 58 L HN 0.366 nan 8.230 nan 0.000 0.432 59 L N -1.010 120.307 121.223 0.157 0.000 2.083 59 L HA -0.260 4.080 4.340 -0.000 0.000 0.209 59 L C 2.661 179.630 176.870 0.164 0.000 1.083 59 L CA 1.181 56.109 54.840 0.146 0.000 0.752 59 L CB -0.604 41.551 42.059 0.161 0.000 0.899 59 L HN 0.306 nan 8.230 nan 0.000 0.433 60 H N -0.066 119.093 119.070 0.148 0.000 2.321 60 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 60 H C 2.125 177.505 175.328 0.085 0.000 1.087 60 H CA 1.546 57.675 56.048 0.135 0.000 1.319 60 H CB 0.028 29.909 29.762 0.199 0.000 1.379 60 H HN 0.265 nan 8.280 nan 0.000 0.501 61 A N 0.975 123.811 122.820 0.026 0.000 1.883 61 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 61 A C 2.649 180.182 177.584 -0.086 0.000 1.186 61 A CA 1.965 53.938 52.037 -0.106 0.000 0.624 61 A CB -1.456 17.552 19.000 0.014 0.000 0.822 61 A HN 0.633 nan 8.150 nan 0.000 0.444 62 A N -0.185 122.631 122.820 -0.008 0.000 1.883 62 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 62 A C 1.994 179.594 177.584 0.026 0.000 1.186 62 A CA 2.299 54.342 52.037 0.010 0.000 0.624 62 A CB -0.557 18.459 19.000 0.027 0.000 0.822 62 A HN 0.587 nan 8.150 nan 0.000 0.444 63 E N -0.220 119.982 120.200 0.004 0.000 2.077 63 E HA -0.129 4.221 4.350 -0.000 0.000 0.193 63 E C 1.960 178.577 176.600 0.029 0.000 0.989 63 E CA 2.134 58.557 56.400 0.039 0.000 0.800 63 E CB -0.749 28.962 29.700 0.018 0.000 0.746 63 E HN 0.492 nan 8.360 nan 0.000 0.452 64 T N 1.004 115.479 114.554 -0.132 0.000 2.720 64 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 64 T C 1.674 176.362 174.700 -0.020 0.000 1.037 64 T CA 1.346 63.371 62.100 -0.125 0.000 1.144 64 T CB -0.391 68.306 68.868 -0.285 0.000 0.864 64 T HN 0.162 nan 8.240 nan 0.000 0.444 65 L N 0.632 121.843 121.223 -0.020 0.000 2.005 65 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 65 L C 2.322 179.212 176.870 0.034 0.000 1.072 65 L CA 2.104 56.943 54.840 -0.002 0.000 0.744 65 L CB -0.939 41.118 42.059 -0.003 0.000 0.895 65 L HN 0.354 nan 8.230 nan 0.000 0.433 66 H N -1.760 117.310 119.070 0.001 0.000 2.352 66 H HA -0.266 4.290 4.556 -0.000 0.000 0.299 66 H C 2.206 177.557 175.328 0.038 0.000 1.097 66 H CA 2.179 58.238 56.048 0.019 0.000 1.311 66 H CB -0.219 29.565 29.762 0.036 0.000 1.377 66 H HN 0.616 nan 8.280 nan 0.000 0.504 67 H N -0.108 118.942 119.070 -0.034 0.000 2.518 67 H HA -0.040 4.516 4.556 -0.000 0.000 0.289 67 H C 1.985 177.230 175.328 -0.140 0.000 1.051 67 H CA 1.196 57.206 56.048 -0.063 0.000 1.280 67 H CB -0.254 29.536 29.762 0.046 0.000 1.380 67 H HN 0.415 nan 8.280 nan 0.000 0.566 68 L N -0.245 120.868 121.223 -0.183 0.000 2.275 68 L HA -0.153 4.187 4.340 -0.000 0.000 0.215 68 L C 2.251 178.933 176.870 -0.314 0.000 1.119 68 L CA 1.121 55.821 54.840 -0.233 0.000 0.790 68 L CB -0.215 41.764 42.059 -0.133 0.000 0.919 68 L HN 0.287 nan 8.230 nan 0.000 0.443 69 K N -0.339 119.860 120.400 -0.335 0.000 2.025 69 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 69 K C 2.061 178.455 176.600 -0.344 0.000 1.049 69 K CA 1.152 57.255 56.287 -0.305 0.000 0.933 69 K CB -0.228 32.083 32.500 -0.315 0.000 0.714 69 K HN 0.073 nan 8.250 nan 0.000 0.438 70 V N 1.606 121.267 119.914 -0.421 0.000 2.295 70 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 70 V C 2.360 178.100 176.094 -0.591 0.000 1.049 70 V CA 2.034 64.086 62.300 -0.413 0.000 1.024 70 V CB -0.784 30.787 31.823 -0.421 0.000 0.648 70 V HN 0.367 nan 8.190 nan 0.000 0.447 71 A N -0.469 121.861 122.820 -0.816 0.000 2.032 71 A HA -0.285 4.035 4.320 -0.000 0.000 0.221 71 A C 2.129 179.011 177.584 -1.170 0.000 1.165 71 A CA 1.964 53.188 52.037 -1.355 0.000 0.645 71 A CB -0.538 18.005 19.000 -0.763 0.000 0.807 71 A HN 0.663 nan 8.150 nan 0.000 0.453 72 E N -0.768 119.067 120.200 -0.609 0.000 2.160 72 E HA -0.140 4.210 4.350 -0.000 0.000 0.195 72 E C 2.091 178.481 176.600 -0.349 0.000 0.991 72 E CA 0.657 56.824 56.400 -0.388 0.000 0.810 72 E CB -0.376 29.174 29.700 -0.250 0.000 0.742 72 E HN 0.656 nan 8.360 nan 0.000 0.466 73 G N 1.345 109.921 108.800 -0.373 0.000 2.450 73 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 73 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 73 G C 0.986 175.840 174.900 -0.077 0.000 1.130 73 G CA 0.820 45.807 45.100 -0.188 0.000 0.760 73 G HN 0.363 nan 8.290 nan 0.000 0.557 74 F N -1.042 118.880 119.950 -0.048 0.000 2.837 74 F HA 0.594 5.121 4.527 0.000 0.000 0.298 74 F C 1.250 177.033 175.800 -0.028 0.000 1.161 74 F CA -1.599 56.383 58.000 -0.030 0.000 1.353 74 F CB -0.090 38.898 39.000 -0.021 0.000 0.951 74 F HN 0.140 nan 8.300 nan 0.000 0.508 75 G N 0.952 109.762 108.800 0.017 0.000 2.159 75 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.256 75 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.256 75 G C -0.383 174.515 174.900 -0.003 0.000 0.977 75 G CA 0.077 45.191 45.100 0.024 0.000 0.652 75 G HN 0.518 nan 8.290 nan 0.000 0.531 76 L N 1.449 122.611 121.223 -0.101 0.000 2.312 76 L HA 0.709 5.049 4.340 -0.000 0.000 0.287 76 L C 0.620 177.412 176.870 -0.129 0.000 1.091 76 L CA 0.128 54.919 54.840 -0.080 0.000 0.846 76 L CB -0.260 41.745 42.059 -0.090 0.000 1.219 76 L HN 0.502 nan 8.230 nan 0.000 0.439 77 K N 3.936 124.292 120.400 -0.073 0.000 2.201 77 K HA 0.920 5.240 4.320 -0.000 0.000 0.278 77 K C -0.361 176.203 176.600 -0.061 0.000 1.027 77 K CA 0.072 56.314 56.287 -0.075 0.000 0.909 77 K CB 1.153 33.622 32.500 -0.052 0.000 1.062 77 K HN 1.020 nan 8.250 nan 0.000 0.465 81 P HA 0.467 nan 4.420 nan 0.000 0.276 81 P C -0.939 176.343 177.300 -0.030 0.000 1.230 81 P CA 0.112 63.189 63.100 -0.038 0.000 0.776 81 P CB 1.014 32.687 31.700 -0.045 0.000 0.888 82 E N 2.005 122.188 120.200 -0.028 0.000 2.241 82 E HA 0.286 4.636 4.350 -0.000 0.000 0.263 82 E C -1.127 175.458 176.600 -0.025 0.000 0.882 82 E CA -0.928 55.459 56.400 -0.022 0.000 0.769 82 E CB 2.383 32.073 29.700 -0.018 0.000 1.185 82 E HN 0.276 nan 8.360 nan 0.000 0.415 83 L N 3.628 124.838 121.223 -0.022 0.000 2.264 83 L HA 0.234 4.574 4.340 -0.000 0.000 0.287 83 L C -0.294 176.567 176.870 -0.015 0.000 1.039 83 L CA -0.365 54.461 54.840 -0.024 0.000 0.829 83 L CB 0.804 42.847 42.059 -0.027 0.000 1.211 83 L HN 0.354 nan 8.230 nan 0.000 0.427 84 D N 4.857 125.249 120.400 -0.013 0.000 2.359 84 D HA 0.026 4.666 4.640 -0.000 0.000 0.250 84 D C 1.258 177.561 176.300 0.006 0.000 1.264 84 D CA 0.114 54.113 54.000 -0.002 0.000 0.911 84 D CB 0.708 41.507 40.800 -0.001 0.000 1.056 84 D HN 0.633 nan 8.370 nan 0.000 0.499 85 L N 3.637 124.864 121.223 0.006 0.000 2.079 85 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 85 L C 2.507 179.390 176.870 0.021 0.000 1.081 85 L CA 1.053 55.898 54.840 0.009 0.000 0.752 85 L CB -0.329 41.731 42.059 0.002 0.000 0.896 85 L HN 0.401 nan 8.230 nan 0.000 0.433 86 K N 0.825 121.237 120.400 0.020 0.000 2.057 86 K HA -0.245 4.075 4.320 -0.000 0.000 0.207 86 K C 2.221 178.845 176.600 0.039 0.000 1.049 86 K CA 1.530 57.832 56.287 0.024 0.000 0.931 86 K CB 0.083 32.595 32.500 0.019 0.000 0.714 86 K HN -0.023 nan 8.250 nan 0.000 0.440 87 K N 0.666 121.089 120.400 0.040 0.000 2.057 87 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 87 K C 2.014 178.677 176.600 0.104 0.000 1.049 87 K CA 1.098 57.419 56.287 0.056 0.000 0.931 87 K CB -0.309 32.209 32.500 0.030 0.000 0.714 87 K HN 0.140 nan 8.250 nan 0.000 0.440 88 L N 0.154 121.433 121.223 0.094 0.000 2.046 88 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 88 L C 2.023 179.012 176.870 0.199 0.000 1.077 88 L CA 2.410 57.348 54.840 0.163 0.000 0.747 88 L CB -1.151 40.968 42.059 0.100 0.000 0.896 88 L HN 0.274 nan 8.230 nan 0.000 0.432 89 G N -1.237 107.625 108.800 0.104 0.000 2.432 89 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 89 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 89 G C 1.481 176.418 174.900 0.063 0.000 1.135 89 G CA 0.555 45.693 45.100 0.063 0.000 0.767 89 G HN 0.615 nan 8.290 nan 0.000 0.550 90 G N -0.022 108.832 108.800 0.089 0.000 2.404 90 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 90 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 90 G C 1.547 176.517 174.900 0.117 0.000 1.174 90 G CA 0.914 46.063 45.100 0.081 0.000 0.780 90 G HN 0.455 nan 8.290 nan 0.000 0.537 91 W N 1.570 122.867 121.300 -0.005 0.000 2.335 91 W HA -0.080 4.580 4.660 -0.000 0.000 0.311 91 W C 2.688 179.205 176.519 -0.004 0.000 1.213 91 W CA 1.764 59.108 57.345 -0.001 0.000 1.274 91 W CB -0.328 29.137 29.460 0.009 0.000 1.148 91 W HN 0.121 nan 8.180 nan 0.000 0.498 92 R N 0.396 120.813 120.500 -0.137 0.000 2.096 92 R HA -0.214 4.126 4.340 -0.000 0.000 0.240 92 R C 1.836 177.962 176.300 -0.290 0.000 1.139 92 R CA 2.332 58.219 56.100 -0.354 0.000 0.952 92 R CB -0.870 29.361 30.300 -0.116 0.000 0.854 92 R HN 0.162 nan 8.270 nan 0.000 0.436 93 D N 0.037 120.346 120.400 -0.152 0.000 2.144 93 D HA -0.208 4.432 4.640 -0.000 0.000 0.199 93 D C 1.849 178.064 176.300 -0.141 0.000 0.984 93 D CA 1.029 54.956 54.000 -0.122 0.000 0.834 93 D CB -0.224 40.536 40.800 -0.066 0.000 0.955 93 D HN 0.462 nan 8.370 nan 0.000 0.465 94 Q N 0.874 120.585 119.800 -0.148 0.000 2.084 94 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 94 Q C 2.167 178.049 176.000 -0.197 0.000 0.978 94 Q CA 1.055 56.781 55.803 -0.128 0.000 0.844 94 Q CB 0.162 28.862 28.738 -0.062 0.000 0.898 94 Q HN 0.071 nan 8.270 nan 0.000 0.426 95 V N 0.252 119.950 119.914 -0.360 0.000 2.295 95 V HA -0.240 3.880 4.120 -0.000 0.000 0.246 95 V C 2.396 178.348 176.094 -0.237 0.000 1.049 95 V CA 1.516 63.596 62.300 -0.366 0.000 1.024 95 V CB -0.432 31.020 31.823 -0.619 0.000 0.648 95 V HN 0.251 nan 8.190 nan 0.000 0.447 96 V N -0.061 119.719 119.914 -0.223 0.000 2.343 96 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 96 V C 2.423 178.445 176.094 -0.119 0.000 1.051 96 V CA 2.439 64.647 62.300 -0.153 0.000 1.036 96 V CB -0.675 31.067 31.823 -0.134 0.000 0.654 96 V HN 0.566 nan 8.190 nan 0.000 0.451 97 K N 0.240 120.572 120.400 -0.113 0.000 2.009 97 K HA -0.237 4.083 4.320 -0.000 0.000 0.210 97 K C 2.273 178.823 176.600 -0.084 0.000 1.049 97 K CA 1.773 58.008 56.287 -0.087 0.000 0.929 97 K CB -0.169 32.287 32.500 -0.073 0.000 0.714 97 K HN 0.377 nan 8.250 nan 0.000 0.440 98 K N 0.449 120.795 120.400 -0.089 0.000 2.074 98 K HA -0.158 4.162 4.320 -0.000 0.000 0.209 98 K C 2.171 178.720 176.600 -0.085 0.000 1.048 98 K CA 1.707 57.947 56.287 -0.078 0.000 0.926 98 K CB -0.167 32.289 32.500 -0.074 0.000 0.713 98 K HN 0.185 nan 8.250 nan 0.000 0.444 99 L N 0.504 121.669 121.223 -0.097 0.000 2.109 99 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 99 L C 2.728 179.527 176.870 -0.119 0.000 1.086 99 L CA 1.489 56.269 54.840 -0.100 0.000 0.760 99 L CB -0.858 41.146 42.059 -0.092 0.000 0.910 99 L HN 0.381 nan 8.230 nan 0.000 0.437 100 T N -3.294 111.195 114.554 -0.107 0.000 2.857 100 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 100 T C 1.969 176.600 174.700 -0.115 0.000 1.048 100 T CA 0.904 62.936 62.100 -0.113 0.000 1.139 100 T CB -0.854 67.964 68.868 -0.084 0.000 0.874 100 T HN 0.351 nan 8.240 nan 0.000 0.455 101 G N 1.295 110.039 108.800 -0.094 0.000 2.422 101 G HA2 0.080 4.040 3.960 -0.000 0.000 0.218 101 G HA3 0.080 4.040 3.960 -0.000 0.000 0.218 101 G C 1.706 176.547 174.900 -0.099 0.000 1.146 101 G CA 0.644 45.694 45.100 -0.084 0.000 0.769 101 G HN 0.652 nan 8.290 nan 0.000 0.547 102 G N 0.538 109.272 108.800 -0.109 0.000 2.446 102 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.217 102 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.217 102 G C 1.776 176.575 174.900 -0.169 0.000 1.168 102 G CA 1.311 46.339 45.100 -0.120 0.000 0.771 102 G HN 0.328 nan 8.290 nan 0.000 0.551 103 V N 1.555 121.324 119.914 -0.241 0.000 2.358 103 V HA -0.053 4.067 4.120 -0.000 0.000 0.246 103 V C 3.156 179.116 176.094 -0.223 0.000 1.047 103 V CA 1.891 63.976 62.300 -0.359 0.000 1.035 103 V CB -1.093 30.397 31.823 -0.554 0.000 0.658 103 V HN 0.443 nan 8.190 nan 0.000 0.452 104 G N -0.260 108.445 108.800 -0.158 0.000 2.440 104 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 104 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 104 G C 1.688 176.535 174.900 -0.087 0.000 1.154 104 G CA 1.675 46.712 45.100 -0.105 0.000 0.767 104 G HN 0.473 nan 8.290 nan 0.000 0.552 105 T N 1.059 115.559 114.554 -0.089 0.000 2.821 105 T HA -0.025 4.325 4.350 -0.000 0.000 0.267 105 T C 2.313 176.970 174.700 -0.071 0.000 1.046 105 T CA 0.675 62.733 62.100 -0.069 0.000 1.139 105 T CB -0.111 68.718 68.868 -0.064 0.000 0.871 105 T HN 0.042 nan 8.240 nan 0.000 0.454 106 L N 0.688 121.853 121.223 -0.097 0.000 2.056 106 L HA 0.069 4.409 4.340 -0.000 0.000 0.207 106 L C 2.255 179.085 176.870 -0.067 0.000 1.078 106 L CA 1.355 56.142 54.840 -0.089 0.000 0.749 106 L CB -0.979 41.003 42.059 -0.129 0.000 0.901 106 L HN 0.271 nan 8.230 nan 0.000 0.433 107 L N -0.863 120.317 121.223 -0.072 0.000 1.976 107 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 107 L C 2.590 179.441 176.870 -0.032 0.000 1.071 107 L CA 1.463 56.276 54.840 -0.045 0.000 0.746 107 L CB -0.561 41.470 42.059 -0.048 0.000 0.890 107 L HN 0.225 nan 8.230 nan 0.000 0.432 108 K N 0.183 120.562 120.400 -0.035 0.000 2.103 108 K HA -0.160 4.160 4.320 -0.000 0.000 0.207 108 K C 1.926 178.514 176.600 -0.019 0.000 1.048 108 K CA 1.448 57.722 56.287 -0.022 0.000 0.930 108 K CB -0.320 32.166 32.500 -0.024 0.000 0.716 108 K HN 0.360 nan 8.250 nan 0.000 0.444 109 G N 0.185 108.969 108.800 -0.027 0.000 2.509 109 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.218 109 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.218 109 G C 1.094 175.983 174.900 -0.019 0.000 1.124 109 G CA 0.345 45.431 45.100 -0.023 0.000 0.776 109 G HN 0.306 nan 8.290 nan 0.000 0.547 110 N N 0.223 118.912 118.700 -0.018 0.000 2.236 110 N HA 0.097 4.837 4.740 -0.000 0.000 0.196 110 N C 1.535 177.044 175.510 -0.003 0.000 1.114 110 N CA 0.715 53.758 53.050 -0.013 0.000 0.859 110 N CB 0.669 39.146 38.487 -0.017 0.000 0.982 110 N HN 0.326 nan 8.380 nan 0.000 0.493 111 G N 0.736 109.537 108.800 0.000 0.000 2.143 111 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.248 111 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.248 111 G C -0.011 174.903 174.900 0.022 0.000 0.991 111 G CA 0.032 45.140 45.100 0.013 0.000 0.689 111 G HN 0.159 nan 8.290 nan 0.000 0.522 112 V N 0.658 120.577 119.914 0.008 0.000 2.498 112 V HA 0.432 4.552 4.120 -0.000 0.000 0.279 112 V C 0.720 176.814 176.094 0.000 0.000 1.048 112 V CA -0.281 62.021 62.300 0.003 0.000 0.967 112 V CB 1.793 33.607 31.823 -0.014 0.000 0.988 112 V HN 0.439 nan 8.190 nan 0.000 0.473 113 E N 4.162 124.364 120.200 0.003 0.000 2.130 113 E HA 0.331 4.681 4.350 -0.000 0.000 0.284 113 E C -0.997 175.567 176.600 -0.059 0.000 1.018 113 E CA -0.767 55.636 56.400 0.004 0.000 0.817 113 E CB 1.221 30.970 29.700 0.082 0.000 1.078 113 E HN 0.536 nan 8.360 nan 0.000 0.396 114 L N 6.166 127.362 121.223 -0.046 0.000 2.276 114 L HA 0.347 4.687 4.340 -0.000 0.000 0.286 114 L C -1.474 175.355 176.870 -0.070 0.000 1.061 114 L CA -0.479 54.321 54.840 -0.066 0.000 0.807 114 L CB 1.189 43.218 42.059 -0.049 0.000 1.177 114 L HN 0.582 nan 8.230 nan 0.000 0.429 115 L N 5.830 126.987 121.223 -0.111 0.000 2.342 115 L HA 0.564 4.904 4.340 -0.000 0.000 0.276 115 L C -0.706 176.107 176.870 -0.094 0.000 0.997 115 L CA -0.447 54.325 54.840 -0.114 0.000 0.838 115 L CB 0.765 42.688 42.059 -0.227 0.000 1.224 115 L HN 0.517 nan 8.230 nan 0.000 0.416 116 R N 4.133 124.603 120.500 -0.049 0.000 2.347 116 R HA 0.783 5.123 4.340 -0.000 0.000 0.304 116 R C 0.208 176.499 176.300 -0.016 0.000 1.072 116 R CA -0.005 56.078 56.100 -0.029 0.000 0.980 116 R CB 0.368 30.661 30.300 -0.012 0.000 0.986 116 R HN 0.916 nan 8.270 nan 0.000 0.448 117 G N 1.700 110.498 108.800 -0.004 0.000 2.350 117 G HA2 0.105 4.065 3.960 -0.000 0.000 0.305 117 G HA3 0.105 4.065 3.960 -0.000 0.000 0.305 117 G C -1.901 173.035 174.900 0.060 0.000 1.479 117 G CA -1.046 44.077 45.100 0.038 0.000 0.949 117 G HN 0.331 nan 8.290 nan 0.000 0.651 118 F N 1.956 121.890 119.950 -0.026 0.000 2.424 118 F HA 0.675 5.202 4.527 -0.000 0.000 0.356 118 F C 0.654 176.441 175.800 -0.022 0.000 1.110 118 F CA 0.043 58.028 58.000 -0.024 0.000 1.161 118 F CB 1.072 40.064 39.000 -0.013 0.000 1.115 118 F HN 0.791 nan 8.300 nan 0.000 0.507 119 A N 7.242 129.751 122.820 -0.517 0.000 2.301 119 A HA 0.669 4.989 4.320 -0.000 0.000 0.298 119 A C -0.656 176.687 177.584 -0.401 0.000 1.185 119 A CA -0.815 51.019 52.037 -0.339 0.000 0.830 119 A CB 0.416 19.240 19.000 -0.293 0.000 1.112 119 A HN 0.870 nan 8.150 nan 0.000 0.508 120 R N 2.143 122.588 120.500 -0.091 0.000 2.437 120 R HA 0.640 4.980 4.340 -0.000 0.000 0.310 120 R C -1.188 175.116 176.300 0.007 0.000 0.955 120 R CA -0.809 55.297 56.100 0.009 0.000 0.851 120 R CB 1.060 31.453 30.300 0.154 0.000 1.161 120 R HN 0.418 nan 8.270 nan 0.000 0.446 121 L N 3.928 125.149 121.223 -0.003 0.000 2.418 121 L HA 0.069 4.409 4.340 -0.000 0.000 0.274 121 L C 0.356 177.243 176.870 0.029 0.000 1.135 121 L CA 0.384 55.228 54.840 0.007 0.000 0.870 121 L CB 1.510 43.568 42.059 -0.002 0.000 1.154 121 L HN 0.794 nan 8.230 nan 0.000 0.462 122 V N 3.884 123.819 119.914 0.035 0.000 3.048 122 V HA 0.478 4.598 4.120 -0.000 0.000 0.241 122 V C 0.897 177.009 176.094 0.031 0.000 1.129 122 V CA 0.757 63.080 62.300 0.038 0.000 1.128 122 V CB 0.220 32.072 31.823 0.047 0.000 0.849 122 V HN 0.867 nan 8.190 nan 0.000 0.475 123 G N -0.972 107.846 108.800 0.031 0.000 2.692 123 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 123 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 123 G C -2.799 172.116 174.900 0.023 0.000 1.423 123 G CA -0.766 44.349 45.100 0.025 0.000 0.843 123 G HN -0.069 nan 8.290 nan 0.000 0.486 124 P HA 0.041 nan 4.420 nan 0.000 0.234 124 P C 0.593 177.908 177.300 0.024 0.000 1.162 124 P CA 1.182 64.289 63.100 0.012 0.000 0.759 124 P CB 0.133 31.836 31.700 0.004 0.000 0.813 125 K N -1.872 118.549 120.400 0.035 0.000 2.637 125 K HA 0.169 4.489 4.320 -0.000 0.000 0.184 125 K C -0.086 176.553 176.600 0.066 0.000 1.200 125 K CA -0.130 56.188 56.287 0.051 0.000 1.122 125 K CB 1.242 33.770 32.500 0.047 0.000 0.926 125 K HN 0.052 nan 8.250 nan 0.000 0.535 126 E N 1.083 121.319 120.200 0.061 0.000 2.366 126 E HA 0.459 4.809 4.350 -0.000 0.000 0.278 126 E C -1.540 175.105 176.600 0.075 0.000 0.923 126 E CA -0.825 55.623 56.400 0.080 0.000 0.761 126 E CB 2.266 32.005 29.700 0.066 0.000 1.231 126 E HN -0.121 nan 8.360 nan 0.000 0.443 127 V N 1.974 121.952 119.914 0.108 0.000 3.078 127 V HA 0.469 4.589 4.120 -0.000 0.000 0.311 127 V C -0.886 175.301 176.094 0.156 0.000 1.138 127 V CA -0.876 61.477 62.300 0.089 0.000 1.007 127 V CB 2.051 33.894 31.823 0.034 0.000 1.045 127 V HN 0.763 nan 8.190 nan 0.000 0.432 128 E N 1.009 121.284 120.200 0.124 0.000 2.222 128 E HA 0.793 5.143 4.350 -0.000 0.000 0.267 128 E C -1.801 174.892 176.600 0.154 0.000 0.884 128 E CA -0.333 56.168 56.400 0.168 0.000 0.764 128 E CB 2.247 32.017 29.700 0.117 0.000 1.169 128 E HN 0.464 nan 8.360 nan 0.000 0.413 135 G N 0.247 109.106 108.800 0.099 0.000 2.579 135 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.222 135 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.222 135 G C 0.307 175.246 174.900 0.066 0.000 1.201 135 G CA 0.345 45.488 45.100 0.072 0.000 0.710 135 G HN 0.621 nan 8.290 nan 0.000 0.516 136 E N 1.572 121.828 120.200 0.093 0.000 2.390 136 E HA 0.467 4.817 4.350 -0.000 0.000 0.261 136 E C 0.445 177.043 176.600 -0.003 0.000 1.076 136 E CA -0.028 56.372 56.400 -0.001 0.000 0.905 136 E CB 0.588 30.274 29.700 -0.023 0.000 0.984 136 E HN 0.367 nan 8.360 nan 0.000 0.427 137 R N 1.817 122.199 120.500 -0.198 0.000 2.460 137 R HA 0.435 4.775 4.340 -0.000 0.000 0.303 137 R C -0.746 175.385 176.300 -0.281 0.000 0.968 137 R CA -0.730 55.319 56.100 -0.085 0.000 0.889 137 R CB 0.673 30.949 30.300 -0.041 0.000 1.123 137 R HN 0.441 nan 8.270 nan 0.000 0.455 138 Y N -0.912 119.434 120.300 0.077 0.000 2.442 138 Y HA 0.631 5.181 4.550 -0.000 0.000 0.344 138 Y C 0.723 176.693 175.900 0.117 0.000 0.976 138 Y CA -0.927 57.253 58.100 0.133 0.000 1.040 138 Y CB 2.632 41.178 38.460 0.144 0.000 1.228 138 Y HN 0.722 nan 8.280 nan 0.000 0.451 139 G N 0.463 109.435 108.800 0.288 0.000 2.533 139 G HA2 0.865 4.825 3.960 -0.000 0.000 0.304 139 G HA3 0.865 4.825 3.960 -0.000 0.000 0.304 139 G C -1.659 173.377 174.900 0.226 0.000 1.263 139 G CA -0.799 44.418 45.100 0.195 0.000 0.964 139 G HN 0.895 nan 8.290 nan 0.000 0.479 140 A N 0.724 123.638 122.820 0.158 0.000 2.608 140 A HA 0.678 4.998 4.320 -0.000 0.000 0.292 140 A C 0.635 178.282 177.584 0.104 0.000 1.066 140 A CA -0.365 51.763 52.037 0.151 0.000 0.676 140 A CB 1.451 20.551 19.000 0.166 0.000 1.277 140 A HN 0.696 nan 8.150 nan 0.000 0.413 141 K N 0.107 120.564 120.400 0.095 0.000 2.097 141 K HA 0.064 4.384 4.320 -0.000 0.000 0.205 141 K C 0.047 176.703 176.600 0.094 0.000 1.050 141 K CA 1.666 58.001 56.287 0.080 0.000 0.938 141 K CB -0.043 32.501 32.500 0.073 0.000 0.718 141 K HN 0.650 nan 8.250 nan 0.000 0.442 142 S N 0.353 116.121 115.700 0.112 0.000 2.500 142 S HA 0.485 4.955 4.470 -0.000 0.000 0.301 142 S C -0.863 173.817 174.600 0.134 0.000 1.092 142 S CA -0.872 57.422 58.200 0.156 0.000 1.030 142 S CB 1.962 65.276 63.200 0.190 0.000 1.031 142 S HN 0.115 nan 8.310 nan 0.000 0.483 143 L N 3.017 124.336 121.223 0.160 0.000 2.365 143 L HA 0.631 4.971 4.340 -0.000 0.000 0.273 143 L C -1.041 175.927 176.870 0.164 0.000 1.000 143 L CA -0.619 54.287 54.840 0.110 0.000 0.819 143 L CB 1.526 43.623 42.059 0.064 0.000 1.284 143 L HN 0.538 nan 8.230 nan 0.000 0.418 144 I N 4.347 124.969 120.570 0.087 0.000 2.411 144 I HA 0.322 4.492 4.170 -0.000 0.000 0.284 144 I C -0.585 175.551 176.117 0.031 0.000 1.012 144 I CA -0.448 60.904 61.300 0.087 0.000 1.119 144 I CB 1.796 39.808 38.000 0.021 0.000 1.261 144 I HN 0.374 nan 8.210 nan 0.000 0.448 145 L N 6.494 127.741 121.223 0.041 0.000 2.261 145 L HA 0.526 4.866 4.340 -0.000 0.000 0.289 145 L C 0.582 177.451 176.870 -0.002 0.000 1.059 145 L CA -0.192 54.648 54.840 -0.000 0.000 0.816 145 L CB 1.034 43.093 42.059 0.001 0.000 1.191 145 L HN 0.706 nan 8.230 nan 0.000 0.431 146 A N 1.305 124.110 122.820 -0.025 0.000 3.214 146 A HA 0.286 4.606 4.320 -0.000 0.000 0.304 146 A C 1.052 178.616 177.584 -0.033 0.000 0.969 146 A CA -0.303 51.720 52.037 -0.023 0.000 0.986 146 A CB -0.148 18.837 19.000 -0.023 0.000 1.073 146 A HN 0.749 nan 8.150 nan 0.000 0.487 147 T N -2.671 111.860 114.554 -0.039 0.000 3.118 147 T HA 0.398 4.748 4.350 -0.000 0.000 0.260 147 T C 1.351 176.035 174.700 -0.027 0.000 1.139 147 T CA 0.953 63.026 62.100 -0.044 0.000 1.085 147 T CB -0.392 68.444 68.868 -0.054 0.000 0.934 147 T HN 2.022 nan 8.240 nan 0.000 0.518 148 G N 1.463 110.249 108.800 -0.023 0.000 2.601 148 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.252 148 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.252 148 G C -0.052 174.827 174.900 -0.034 0.000 1.294 148 G CA 0.092 45.181 45.100 -0.018 0.000 0.912 148 G HN 1.543 nan 8.290 nan 0.000 0.574 149 S N -0.956 114.728 115.700 -0.027 0.000 2.851 149 S HA 0.875 5.345 4.470 -0.000 0.000 0.313 149 S C -0.653 173.931 174.600 -0.027 0.000 1.163 149 S CA 0.380 58.553 58.200 -0.044 0.000 0.850 149 S CB 2.417 65.594 63.200 -0.038 0.000 1.245 149 S HN 1.853 nan 8.310 nan 0.000 0.558 150 E N -0.984 119.200 120.200 -0.026 0.000 2.412 150 E HA 0.547 4.897 4.350 -0.000 0.000 0.279 150 E C -3.420 173.181 176.600 0.002 0.000 0.984 150 E CA -2.527 53.861 56.400 -0.019 0.000 0.788 150 E CB 1.014 30.701 29.700 -0.022 0.000 1.277 150 E HN 0.273 nan 8.360 nan 0.000 0.455 151 P HA -0.050 nan 4.420 nan 0.000 0.263 151 P C -0.757 176.637 177.300 0.157 0.000 1.175 151 P CA -0.129 62.998 63.100 0.045 0.000 0.761 151 P CB 0.236 31.874 31.700 -0.103 0.000 0.794 152 L N 3.365 124.700 121.223 0.187 0.000 2.350 152 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 152 L C 0.407 177.424 176.870 0.246 0.000 1.099 152 L CA -0.138 54.806 54.840 0.173 0.000 0.808 152 L CB 0.415 42.534 42.059 0.101 0.000 1.149 152 L HN 0.312 nan 8.230 nan 0.000 0.442 153 E N 2.620 122.919 120.200 0.166 0.000 2.266 153 E HA 0.356 4.706 4.350 -0.000 0.000 0.277 153 E C -1.434 175.126 176.600 -0.067 0.000 1.018 153 E CA -0.777 55.608 56.400 -0.025 0.000 0.840 153 E CB 1.397 31.092 29.700 -0.008 0.000 1.082 153 E HN 0.538 nan 8.360 nan 0.000 0.395 154 L N 3.945 125.080 121.223 -0.147 0.000 2.296 154 L HA 0.320 4.660 4.340 -0.000 0.000 0.286 154 L C -0.457 176.433 176.870 0.033 0.000 1.023 154 L CA -0.302 54.523 54.840 -0.025 0.000 0.812 154 L CB 1.215 43.266 42.059 -0.013 0.000 1.223 154 L HN 0.383 nan 8.230 nan 0.000 0.421 155 K N 3.915 124.345 120.400 0.051 0.000 2.451 155 K HA 0.376 4.696 4.320 -0.000 0.000 0.280 155 K C 0.944 177.587 176.600 0.071 0.000 1.020 155 K CA 1.097 57.408 56.287 0.041 0.000 1.008 155 K CB 0.178 32.696 32.500 0.029 0.000 0.917 155 K HN 0.958 nan 8.250 nan 0.000 0.478 156 G N 3.573 112.356 108.800 -0.028 0.000 2.195 156 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 156 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 156 G C -0.023 174.611 174.900 -0.443 0.000 0.984 156 G CA 0.032 45.010 45.100 -0.202 0.000 0.633 156 G HN 0.580 nan 8.290 nan 0.000 0.525 157 F N 2.427 122.380 119.950 0.006 0.000 2.593 157 F HA 0.359 4.886 4.527 0.000 0.000 0.336 157 F C -1.919 173.771 175.800 -0.184 0.000 1.491 157 F CA -1.736 56.238 58.000 -0.044 0.000 1.114 157 F CB 1.572 40.486 39.000 -0.145 0.000 1.468 157 F HN -0.071 nan 8.300 nan 0.000 0.579 158 P HA -0.033 nan 4.420 nan 0.000 0.266 158 P C -0.202 177.082 177.300 -0.028 0.000 1.195 158 P CA 0.105 63.167 63.100 -0.063 0.000 0.768 158 P CB 0.750 32.465 31.700 0.025 0.000 0.838 159 F N 1.659 121.678 119.950 0.115 0.000 2.518 159 F HA 0.455 4.982 4.527 -0.000 0.000 0.359 159 F C 1.664 177.536 175.800 0.120 0.000 1.118 159 F CA 1.538 59.608 58.000 0.117 0.000 1.287 159 F CB 0.092 39.152 39.000 0.098 0.000 1.132 159 F HN 0.558 nan 8.300 nan 0.000 0.587 160 G N 1.882 110.894 108.800 0.353 0.000 2.494 160 G HA2 0.153 4.113 3.960 -0.000 0.000 0.308 160 G HA3 0.153 4.113 3.960 -0.000 0.000 0.308 160 G C 0.036 175.107 174.900 0.285 0.000 1.263 160 G CA -0.570 44.683 45.100 0.254 0.000 0.840 160 G HN 0.292 nan 8.290 nan 0.000 0.479 161 E N 0.040 120.378 120.200 0.229 0.000 2.265 161 E HA -0.068 4.282 4.350 -0.000 0.000 0.196 161 E C 0.808 177.595 176.600 0.312 0.000 0.996 161 E CA 1.219 57.778 56.400 0.265 0.000 0.832 161 E CB 0.192 30.002 29.700 0.182 0.000 0.756 161 E HN 0.453 nan 8.360 nan 0.000 0.491 162 D N -0.580 119.917 120.400 0.163 0.000 2.441 162 D HA 0.061 4.701 4.640 -0.000 0.000 0.210 162 D C -0.156 176.005 176.300 -0.232 0.000 1.102 162 D CA 0.108 54.077 54.000 -0.052 0.000 0.840 162 D CB 1.499 42.282 40.800 -0.029 0.000 0.990 162 D HN -0.114 nan 8.370 nan 0.000 0.505 163 V N 2.669 122.584 119.914 0.002 0.000 2.325 163 V HA 0.201 4.321 4.120 -0.000 0.000 0.280 163 V C -0.609 175.721 176.094 0.393 0.000 1.016 163 V CA -0.888 61.430 62.300 0.031 0.000 0.818 163 V CB 1.166 33.021 31.823 0.054 0.000 1.019 163 V HN 0.004 nan 8.190 nan 0.000 0.434 164 W N 2.647 124.035 121.300 0.147 0.000 2.359 164 W HA 0.570 5.230 4.660 -0.000 0.000 0.344 164 W C 0.258 176.893 176.519 0.194 0.000 1.170 164 W CA -1.254 56.172 57.345 0.136 0.000 1.296 164 W CB 0.756 30.226 29.460 0.017 0.000 1.197 164 W HN 0.676 nan 8.180 nan 0.000 0.618 165 D N -1.461 119.040 120.400 0.168 0.000 2.442 165 D HA 0.241 4.881 4.640 -0.000 0.000 0.254 165 D C 1.147 177.456 176.300 0.015 0.000 1.069 165 D CA -0.475 53.483 54.000 -0.069 0.000 1.017 165 D CB 0.243 40.627 40.800 -0.693 0.000 1.172 165 D HN 0.182 nan 8.370 nan 0.000 0.561 166 S N -0.653 115.049 115.700 0.003 0.000 2.387 166 S HA -0.243 4.227 4.470 -0.000 0.000 0.230 166 S C 1.754 176.344 174.600 -0.017 0.000 1.035 166 S CA 1.716 59.931 58.200 0.024 0.000 1.014 166 S CB -1.337 61.878 63.200 0.025 0.000 0.836 166 S HN 0.602 nan 8.310 nan 0.000 0.466 167 T N 2.111 116.620 114.554 -0.074 0.000 2.684 167 T HA -0.101 4.249 4.350 -0.000 0.000 0.267 167 T C 1.943 176.564 174.700 -0.132 0.000 1.036 167 T CA 1.858 63.901 62.100 -0.096 0.000 1.148 167 T CB -0.367 68.430 68.868 -0.119 0.000 0.863 167 T HN 0.488 nan 8.240 nan 0.000 0.436 168 R N 1.696 122.086 120.500 -0.184 0.000 2.115 168 R HA 0.196 4.536 4.340 -0.000 0.000 0.226 168 R C 2.274 178.320 176.300 -0.422 0.000 1.100 168 R CA 1.486 57.373 56.100 -0.355 0.000 0.980 168 R CB -0.894 29.111 30.300 -0.492 0.000 0.875 168 R HN 0.317 nan 8.270 nan 0.000 0.445 169 A N 0.563 123.292 122.820 -0.152 0.000 2.019 169 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 169 A C 2.104 179.766 177.584 0.130 0.000 1.164 169 A CA 1.265 53.337 52.037 0.057 0.000 0.644 169 A CB -0.548 18.582 19.000 0.217 0.000 0.805 169 A HN 0.371 nan 8.150 nan 0.000 0.449 170 L N -0.580 120.657 121.223 0.023 0.000 2.131 170 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 170 L C 0.866 177.727 176.870 -0.014 0.000 1.092 170 L CA 1.058 55.911 54.840 0.023 0.000 0.759 170 L CB -0.405 41.642 42.059 -0.020 0.000 0.903 170 L HN 0.264 nan 8.230 nan 0.000 0.435 171 K N 1.108 121.459 120.400 -0.081 0.000 2.449 171 K HA 0.043 4.363 4.320 -0.000 0.000 0.237 171 K C 1.420 177.981 176.600 -0.064 0.000 1.265 171 K CA -0.154 56.078 56.287 -0.093 0.000 1.193 171 K CB 0.046 32.455 32.500 -0.151 0.000 1.515 171 K HN 0.172 nan 8.250 nan 0.000 0.259 172 V N -0.913 118.985 119.914 -0.026 0.000 2.688 172 V HA -0.215 3.905 4.120 -0.000 0.000 0.256 172 V C 1.353 177.441 176.094 -0.009 0.000 1.084 172 V CA 1.222 63.503 62.300 -0.032 0.000 1.103 172 V CB -0.662 31.088 31.823 -0.121 0.000 0.688 172 V HN 0.591 nan 8.190 nan 0.000 0.480 173 E N 2.623 122.816 120.200 -0.012 0.000 2.860 173 E HA 0.185 4.535 4.350 -0.000 0.000 0.318 173 E C 0.527 177.131 176.600 0.005 0.000 1.481 173 E CA 0.450 56.850 56.400 0.001 0.000 1.613 173 E CB -0.541 29.160 29.700 0.001 0.000 1.279 173 E HN 0.588 nan 8.360 nan 0.000 0.489 174 G N 1.584 110.434 108.800 0.083 0.000 2.320 174 G HA2 0.382 4.342 3.960 -0.000 0.000 0.300 174 G HA3 0.382 4.342 3.960 -0.000 0.000 0.300 174 G C -0.895 174.142 174.900 0.227 0.000 1.126 174 G CA -0.694 44.488 45.100 0.137 0.000 0.896 174 G HN 0.367 nan 8.290 nan 0.000 0.436 175 L N 5.697 127.038 121.223 0.196 0.000 2.255 175 L HA 0.417 4.757 4.340 -0.000 0.000 0.289 175 L C -1.484 175.534 176.870 0.246 0.000 1.046 175 L CA -1.912 53.084 54.840 0.259 0.000 0.816 175 L CB 1.149 43.290 42.059 0.137 0.000 1.197 175 L HN 0.375 nan 8.230 nan 0.000 0.427 176 P HA 0.067 nan 4.420 nan 0.000 0.269 176 P C -0.165 177.202 177.300 0.111 0.000 1.209 176 P CA -0.190 62.995 63.100 0.142 0.000 0.776 176 P CB 1.016 32.724 31.700 0.014 0.000 0.876 177 K N 1.242 121.679 120.400 0.061 0.000 2.103 177 K HA -0.030 4.290 4.320 -0.000 0.000 0.204 177 K C 0.745 177.362 176.600 0.029 0.000 1.052 177 K CA 1.091 57.407 56.287 0.048 0.000 0.945 177 K CB 0.066 32.584 32.500 0.030 0.000 0.722 177 K HN 0.451 nan 8.250 nan 0.000 0.443 178 R N 0.505 121.002 120.500 -0.005 0.000 2.575 178 R HA 0.381 4.721 4.340 -0.000 0.000 0.293 178 R C -1.498 174.749 176.300 -0.087 0.000 0.983 178 R CA -0.701 55.378 56.100 -0.034 0.000 0.887 178 R CB 1.824 32.095 30.300 -0.048 0.000 1.184 178 R HN -0.094 nan 8.270 nan 0.000 0.445 179 L N 3.076 124.243 121.223 -0.094 0.000 2.370 179 L HA 0.616 4.956 4.340 -0.000 0.000 0.266 179 L C -1.789 174.984 176.870 -0.162 0.000 1.002 179 L CA -0.950 53.783 54.840 -0.178 0.000 0.818 179 L CB 2.012 43.953 42.059 -0.196 0.000 1.325 179 L HN 0.593 nan 8.230 nan 0.000 0.418 180 L N 4.941 126.036 121.223 -0.213 0.000 2.356 180 L HA 0.748 5.088 4.340 -0.000 0.000 0.277 180 L C -1.417 175.326 176.870 -0.211 0.000 0.996 180 L CA -0.308 54.419 54.840 -0.188 0.000 0.822 180 L CB 1.921 43.860 42.059 -0.199 0.000 1.256 180 L HN 0.407 nan 8.230 nan 0.000 0.413 181 V N 6.496 126.313 119.914 -0.160 0.000 2.417 181 V HA 0.481 4.601 4.120 -0.000 0.000 0.291 181 V C 0.031 176.038 176.094 -0.146 0.000 1.024 181 V CA -0.421 61.793 62.300 -0.143 0.000 0.861 181 V CB 1.583 33.355 31.823 -0.085 0.000 0.985 181 V HN 0.597 nan 8.190 nan 0.000 0.436 182 I N 4.275 124.742 120.570 -0.171 0.000 2.330 182 I HA 0.772 4.942 4.170 -0.000 0.000 0.289 182 I C 0.574 176.636 176.117 -0.092 0.000 1.001 182 I CA -0.173 61.025 61.300 -0.170 0.000 1.193 182 I CB 1.488 39.312 38.000 -0.294 0.000 1.345 182 I HN 0.865 nan 8.210 nan 0.000 0.461 183 G N 3.456 112.222 108.800 -0.057 0.000 3.239 183 G HA2 0.067 4.027 3.960 -0.000 0.000 0.666 183 G HA3 0.067 4.027 3.960 -0.000 0.000 0.666 183 G C -0.075 174.811 174.900 -0.024 0.000 1.313 183 G CA -0.519 44.565 45.100 -0.027 0.000 1.001 183 G HN 0.941 nan 8.290 nan 0.000 0.573 184 G N 0.442 109.228 108.800 -0.023 0.000 3.702 184 G HA2 0.646 4.606 3.960 -0.000 0.000 0.288 184 G HA3 0.646 4.606 3.960 -0.000 0.000 0.288 184 G C 0.824 175.691 174.900 -0.054 0.000 1.193 184 G CA 0.907 45.984 45.100 -0.037 0.000 0.952 184 G HN 1.228 nan 8.290 nan 0.000 0.544 185 G N -1.174 107.605 108.800 -0.035 0.000 2.557 185 G HA2 0.494 4.454 3.960 -0.000 0.000 0.302 185 G HA3 0.494 4.454 3.960 -0.000 0.000 0.302 185 G C 1.300 176.190 174.900 -0.017 0.000 1.311 185 G CA 0.224 45.301 45.100 -0.039 0.000 1.030 185 G HN 0.313 nan 8.290 nan 0.000 0.509 186 A N -1.074 121.748 122.820 0.004 0.000 1.903 186 A HA -0.092 4.228 4.320 -0.000 0.000 0.219 186 A C 2.543 180.174 177.584 0.078 0.000 1.191 186 A CA 2.398 54.469 52.037 0.057 0.000 0.638 186 A CB -0.847 18.219 19.000 0.110 0.000 0.823 186 A HN 0.581 nan 8.150 nan 0.000 0.451 187 V N -0.307 119.648 119.914 0.069 0.000 2.261 187 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 187 V C 2.829 178.962 176.094 0.065 0.000 1.047 187 V CA 2.141 64.484 62.300 0.072 0.000 1.015 187 V CB -1.519 30.341 31.823 0.063 0.000 0.642 187 V HN 0.632 nan 8.190 nan 0.000 0.446 188 G N -0.472 108.353 108.800 0.041 0.000 2.402 188 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 188 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 188 G C 1.602 176.523 174.900 0.035 0.000 1.162 188 G CA 0.830 45.947 45.100 0.028 0.000 0.777 188 G HN 0.453 nan 8.290 nan 0.000 0.539 189 L N -0.056 121.185 121.223 0.031 0.000 2.046 189 L HA -0.047 4.293 4.340 -0.000 0.000 0.208 189 L C 2.871 179.782 176.870 0.069 0.000 1.077 189 L CA 1.304 56.165 54.840 0.034 0.000 0.747 189 L CB -0.385 41.683 42.059 0.015 0.000 0.896 189 L HN 0.262 nan 8.230 nan 0.000 0.432 190 E N 0.115 120.371 120.200 0.093 0.000 2.028 190 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 190 E C 2.337 179.019 176.600 0.136 0.000 0.988 190 E CA 1.060 57.534 56.400 0.123 0.000 0.799 190 E CB -0.097 29.691 29.700 0.147 0.000 0.755 190 E HN 0.396 nan 8.360 nan 0.000 0.447 191 L N 0.158 121.468 121.223 0.144 0.000 2.201 191 L HA -0.073 4.267 4.340 -0.000 0.000 0.212 191 L C 2.457 179.482 176.870 0.258 0.000 1.105 191 L CA 0.888 55.858 54.840 0.218 0.000 0.775 191 L CB -0.503 41.671 42.059 0.193 0.000 0.913 191 L HN 0.253 nan 8.230 nan 0.000 0.440 192 G N -0.750 108.137 108.800 0.144 0.000 2.404 192 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.215 192 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.215 192 G C 1.494 176.480 174.900 0.144 0.000 1.174 192 G CA 0.556 45.727 45.100 0.118 0.000 0.780 192 G HN 0.356 nan 8.290 nan 0.000 0.537 193 Q N -0.188 119.677 119.800 0.109 0.000 2.167 193 Q HA -0.042 4.298 4.340 -0.000 0.000 0.202 193 Q C 2.646 178.697 176.000 0.086 0.000 0.970 193 Q CA 1.092 56.941 55.803 0.076 0.000 0.855 193 Q CB -0.088 28.678 28.738 0.045 0.000 0.911 193 Q HN 0.314 nan 8.270 nan 0.000 0.438 194 V N 0.121 120.108 119.914 0.121 0.000 2.261 194 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 194 V C 1.739 177.844 176.094 0.019 0.000 1.047 194 V CA 1.934 64.275 62.300 0.068 0.000 1.015 194 V CB -0.710 31.161 31.823 0.080 0.000 0.642 194 V HN 0.456 nan 8.190 nan 0.000 0.446 195 Y N 0.077 120.416 120.300 0.065 0.000 2.274 195 Y HA -0.247 4.303 4.550 -0.000 0.000 0.290 195 Y C 2.701 178.631 175.900 0.050 0.000 1.145 195 Y CA 2.050 60.191 58.100 0.068 0.000 1.203 195 Y CB -0.226 38.281 38.460 0.078 0.000 0.984 195 Y HN 0.133 nan 8.280 nan 0.000 0.533 196 R N 1.024 121.621 120.500 0.162 0.000 2.075 196 R HA -0.069 4.271 4.340 -0.000 0.000 0.232 196 R C 1.951 178.291 176.300 0.065 0.000 1.126 196 R CA 1.518 57.677 56.100 0.098 0.000 0.963 196 R CB -0.362 29.980 30.300 0.071 0.000 0.858 196 R HN 0.188 nan 8.270 nan 0.000 0.435 197 R N -0.062 120.466 120.500 0.047 0.000 2.189 197 R HA 0.021 4.361 4.340 -0.000 0.000 0.223 197 R C 1.617 177.935 176.300 0.030 0.000 1.092 197 R CA 0.972 57.101 56.100 0.048 0.000 0.989 197 R CB -0.179 30.142 30.300 0.034 0.000 0.876 197 R HN 0.264 nan 8.270 nan 0.000 0.457 198 L N -0.599 120.623 121.223 -0.002 0.000 2.591 198 L HA 0.161 4.501 4.340 -0.000 0.000 0.228 198 L C 1.137 178.010 176.870 0.006 0.000 1.133 198 L CA 0.450 55.273 54.840 -0.028 0.000 0.880 198 L CB 0.334 42.322 42.059 -0.119 0.000 1.033 198 L HN 0.470 nan 8.230 nan 0.000 0.450 199 G N -0.381 108.440 108.800 0.034 0.000 2.218 199 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.216 199 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.216 199 G C 0.430 175.366 174.900 0.061 0.000 0.994 199 G CA -0.107 45.018 45.100 0.043 0.000 0.637 199 G HN 0.432 nan 8.290 nan 0.000 0.505 200 A N 0.153 123.029 122.820 0.093 0.000 2.366 200 A HA 0.629 4.949 4.320 -0.000 0.000 0.249 200 A C 0.396 178.029 177.584 0.083 0.000 1.084 200 A CA 0.628 52.735 52.037 0.117 0.000 0.794 200 A CB 0.435 19.571 19.000 0.227 0.000 1.034 200 A HN 0.567 nan 8.150 nan 0.000 0.491 201 E N 0.410 120.643 120.200 0.055 0.000 2.227 201 E HA 0.511 4.861 4.350 -0.000 0.000 0.282 201 E C -1.377 175.235 176.600 0.021 0.000 1.015 201 E CA -0.350 56.068 56.400 0.029 0.000 0.823 201 E CB 0.886 30.592 29.700 0.009 0.000 1.081 201 E HN 0.371 nan 8.360 nan 0.000 0.396 202 V N 3.559 123.483 119.914 0.017 0.000 2.638 202 V HA 0.375 4.495 4.120 -0.000 0.000 0.306 202 V C -0.470 175.614 176.094 -0.016 0.000 1.052 202 V CA -0.773 61.529 62.300 0.002 0.000 0.885 202 V CB 2.224 34.067 31.823 0.033 0.000 0.999 202 V HN 0.724 nan 8.190 nan 0.000 0.424 203 T N 5.619 120.148 114.554 -0.041 0.000 2.841 203 T HA 0.647 4.997 4.350 -0.000 0.000 0.285 203 T C -0.848 173.816 174.700 -0.059 0.000 0.991 203 T CA -0.268 61.804 62.100 -0.046 0.000 0.966 203 T CB 1.470 70.306 68.868 -0.054 0.000 0.962 203 T HN 0.542 nan 8.240 nan 0.000 0.438 204 L N 5.572 126.766 121.223 -0.048 0.000 2.356 204 L HA 0.751 5.091 4.340 -0.000 0.000 0.277 204 L C -0.822 176.017 176.870 -0.053 0.000 0.996 204 L CA -1.009 53.799 54.840 -0.054 0.000 0.822 204 L CB 0.838 42.876 42.059 -0.035 0.000 1.256 204 L HN 0.732 nan 8.230 nan 0.000 0.413 205 I N 1.281 121.812 120.570 -0.065 0.000 2.441 205 I HA 0.728 4.898 4.170 -0.000 0.000 0.295 205 I C -1.013 175.083 176.117 -0.034 0.000 0.994 205 I CA -0.441 60.827 61.300 -0.053 0.000 1.144 205 I CB 1.902 39.863 38.000 -0.065 0.000 1.314 205 I HN 0.613 nan 8.210 nan 0.000 0.445 206 E N 4.463 124.653 120.200 -0.016 0.000 2.218 206 E HA 0.211 4.561 4.350 -0.000 0.000 0.263 206 E C -0.514 176.118 176.600 0.054 0.000 0.879 206 E CA -0.702 55.708 56.400 0.017 0.000 0.762 206 E CB 1.220 30.919 29.700 -0.002 0.000 1.166 206 E HN 0.620 nan 8.360 nan 0.000 0.415 207 Y N 4.942 125.221 120.300 -0.036 0.000 2.224 207 Y HA -0.044 4.506 4.550 -0.000 0.000 0.289 207 Y C 0.616 176.502 175.900 -0.023 0.000 1.146 207 Y CA 1.424 59.509 58.100 -0.025 0.000 1.182 207 Y CB 0.233 38.682 38.460 -0.019 0.000 0.983 207 Y HN 0.478 nan 8.280 nan 0.000 0.524 208 M N 0.294 120.043 119.600 0.248 0.000 2.103 208 M HA 0.091 4.571 4.480 -0.000 0.000 0.291 208 M C -1.178 175.148 176.300 0.043 0.000 1.216 208 M CA -2.149 53.243 55.300 0.153 0.000 1.132 208 M CB -0.714 31.942 32.600 0.093 0.000 1.396 208 M HN -0.114 nan 8.290 nan 0.000 0.479 209 P HA -0.071 nan 4.420 nan 0.000 0.220 209 P C -0.202 177.090 177.300 -0.014 0.000 1.148 209 P CA 1.360 64.457 63.100 -0.005 0.000 0.803 209 P CB 0.352 32.051 31.700 -0.001 0.000 0.782 210 E N -1.345 118.845 120.200 -0.015 0.000 2.433 210 E HA 0.371 4.721 4.350 -0.000 0.000 0.278 210 E C -0.514 176.057 176.600 -0.048 0.000 0.976 210 E CA -1.119 55.262 56.400 -0.032 0.000 0.793 210 E CB 0.916 30.594 29.700 -0.037 0.000 1.311 210 E HN -0.104 nan 8.360 nan 0.000 0.460 211 I N -0.183 120.346 120.570 -0.069 0.000 3.138 211 I HA 0.285 4.455 4.170 -0.000 0.000 0.288 211 I C 0.357 176.378 176.117 -0.161 0.000 1.148 211 I CA -0.750 60.492 61.300 -0.097 0.000 1.315 211 I CB 0.209 38.148 38.000 -0.102 0.000 1.426 211 I HN 0.658 nan 8.210 nan 0.000 0.615 212 L N 1.295 122.398 121.223 -0.200 0.000 3.762 212 L HA -0.164 4.176 4.340 -0.000 0.000 0.460 212 L C -1.284 175.460 176.870 -0.209 0.000 1.255 212 L CA -0.376 54.285 54.840 -0.299 0.000 0.783 212 L CB -1.601 40.086 42.059 -0.620 0.000 1.600 212 L HN 0.712 nan 8.230 nan 0.000 0.862 213 P HA -0.230 nan 4.420 nan 0.000 0.218 213 P C 1.250 178.520 177.300 -0.050 0.000 1.146 213 P CA 1.400 64.462 63.100 -0.064 0.000 0.820 213 P CB 0.156 31.837 31.700 -0.032 0.000 0.778 214 Q N -0.278 119.492 119.800 -0.050 0.000 2.245 214 Q HA 0.077 4.417 4.340 -0.000 0.000 0.201 214 Q C 1.614 177.644 176.000 0.050 0.000 0.955 214 Q CA 0.947 56.752 55.803 0.004 0.000 0.870 214 Q CB -0.729 28.023 28.738 0.024 0.000 0.945 214 Q HN 0.261 nan 8.270 nan 0.000 0.461 215 G N 0.884 109.687 108.800 0.005 0.000 2.535 215 G HA2 0.167 4.127 3.960 -0.000 0.000 0.303 215 G HA3 0.167 4.127 3.960 -0.000 0.000 0.303 215 G C -0.992 173.927 174.900 0.031 0.000 1.237 215 G CA -0.527 44.682 45.100 0.182 0.000 0.986 215 G HN 0.095 nan 8.290 nan 0.000 0.494 216 D N -0.103 120.250 120.400 -0.077 0.000 2.520 216 D HA 0.110 4.750 4.640 -0.000 0.000 0.243 216 D C -1.218 175.060 176.300 -0.038 0.000 1.160 216 D CA -0.962 52.841 54.000 -0.328 0.000 0.877 216 D CB 1.249 41.558 40.800 -0.818 0.000 1.150 216 D HN -0.063 nan 8.370 nan 0.000 0.494 217 P HA -0.158 nan 4.420 nan 0.000 0.215 217 P C 1.015 178.322 177.300 0.013 0.000 1.153 217 P CA 1.018 64.103 63.100 -0.026 0.000 0.853 217 P CB 0.151 31.831 31.700 -0.034 0.000 0.788 218 E N -0.579 119.630 120.200 0.015 0.000 2.051 218 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 218 E C 1.718 178.376 176.600 0.097 0.000 0.991 218 E CA 2.105 58.530 56.400 0.041 0.000 0.799 218 E CB -0.363 29.353 29.700 0.027 0.000 0.748 218 E HN 0.262 nan 8.360 nan 0.000 0.449 219 T N -1.440 113.217 114.554 0.173 0.000 2.951 219 T HA 0.100 4.450 4.350 -0.000 0.000 0.268 219 T C 1.946 176.867 174.700 0.367 0.000 1.073 219 T CA 0.765 63.032 62.100 0.279 0.000 1.134 219 T CB -0.128 68.937 68.868 0.327 0.000 0.884 219 T HN 0.215 nan 8.240 nan 0.000 0.479 220 A N 2.012 125.006 122.820 0.289 0.000 1.902 220 A HA 0.343 4.663 4.320 -0.000 0.000 0.217 220 A C 2.811 180.413 177.584 0.031 0.000 1.181 220 A CA 1.718 53.779 52.037 0.040 0.000 0.623 220 A CB -1.392 17.543 19.000 -0.109 0.000 0.818 220 A HN 0.682 nan 8.150 nan 0.000 0.443 221 A N -0.286 122.559 122.820 0.041 0.000 1.933 221 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 221 A C 2.152 179.762 177.584 0.043 0.000 1.175 221 A CA 1.480 53.533 52.037 0.026 0.000 0.628 221 A CB -0.609 18.403 19.000 0.020 0.000 0.814 221 A HN 0.474 nan 8.150 nan 0.000 0.444 222 L N -1.040 120.227 121.223 0.073 0.000 2.083 222 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 222 L C 2.540 179.457 176.870 0.079 0.000 1.083 222 L CA 1.079 55.963 54.840 0.073 0.000 0.752 222 L CB -0.461 41.651 42.059 0.087 0.000 0.899 222 L HN 0.499 nan 8.230 nan 0.000 0.433 223 L N 0.203 121.489 121.223 0.106 0.000 2.027 223 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 223 L C 2.712 179.608 176.870 0.045 0.000 1.074 223 L CA 1.659 56.556 54.840 0.094 0.000 0.745 223 L CB -0.657 41.474 42.059 0.121 0.000 0.898 223 L HN 0.128 nan 8.230 nan 0.000 0.433 224 R N -0.496 120.017 120.500 0.022 0.000 2.091 224 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 224 R C 2.420 178.728 176.300 0.013 0.000 1.136 224 R CA 1.858 57.961 56.100 0.005 0.000 0.959 224 R CB -0.248 30.047 30.300 -0.008 0.000 0.856 224 R HN 0.363 nan 8.270 nan 0.000 0.437 225 R N -0.213 120.299 120.500 0.020 0.000 2.096 225 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 225 R C 2.355 178.669 176.300 0.024 0.000 1.127 225 R CA 1.343 57.455 56.100 0.019 0.000 0.968 225 R CB -0.304 30.009 30.300 0.021 0.000 0.861 225 R HN 0.319 nan 8.270 nan 0.000 0.440 226 A N 1.138 123.977 122.820 0.031 0.000 1.898 226 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 226 A C 2.153 179.751 177.584 0.023 0.000 1.181 226 A CA 0.980 53.036 52.037 0.033 0.000 0.620 226 A CB -0.423 18.602 19.000 0.042 0.000 0.819 226 A HN 0.159 nan 8.150 nan 0.000 0.442 227 L N -0.653 120.581 121.223 0.018 0.000 2.046 227 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 227 L C 2.538 179.415 176.870 0.011 0.000 1.077 227 L CA 1.567 56.414 54.840 0.010 0.000 0.747 227 L CB -0.603 41.462 42.059 0.010 0.000 0.896 227 L HN 0.474 nan 8.230 nan 0.000 0.432 228 E N -0.079 120.128 120.200 0.012 0.000 2.204 228 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 228 E C 1.999 178.609 176.600 0.016 0.000 0.989 228 E CA 0.678 57.084 56.400 0.010 0.000 0.824 228 E CB 0.096 29.800 29.700 0.007 0.000 0.756 228 E HN 0.180 nan 8.360 nan 0.000 0.477 229 K N 1.201 121.613 120.400 0.021 0.000 2.211 229 K HA -0.090 4.230 4.320 -0.000 0.000 0.203 229 K C 1.391 178.013 176.600 0.038 0.000 1.050 229 K CA 0.872 57.176 56.287 0.029 0.000 0.945 229 K CB 0.142 32.663 32.500 0.035 0.000 0.732 229 K HN 0.089 nan 8.250 nan 0.000 0.451 230 E N -1.316 118.905 120.200 0.034 0.000 2.489 230 E HA 0.077 4.427 4.350 -0.000 0.000 0.193 230 E C 0.456 177.079 176.600 0.038 0.000 1.057 230 E CA 0.471 56.897 56.400 0.044 0.000 0.866 230 E CB 0.369 30.075 29.700 0.011 0.000 0.916 230 E HN 0.451 nan 8.360 nan 0.000 0.500 231 G N 1.587 110.404 108.800 0.028 0.000 2.179 231 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 231 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 231 G C 0.227 175.137 174.900 0.017 0.000 0.990 231 G CA -0.367 44.746 45.100 0.023 0.000 0.646 231 G HN 0.198 nan 8.290 nan 0.000 0.517 232 I N 1.660 122.239 120.570 0.015 0.000 2.352 232 I HA 0.292 4.462 4.170 -0.000 0.000 0.290 232 I C 0.993 177.111 176.117 0.001 0.000 1.036 232 I CA -0.578 60.728 61.300 0.010 0.000 1.336 232 I CB 0.899 38.906 38.000 0.012 0.000 1.407 232 I HN -0.034 nan 8.210 nan 0.000 0.497 233 R N 6.008 126.504 120.500 -0.006 0.000 2.210 233 R HA 0.377 4.717 4.340 -0.000 0.000 0.338 233 R C -1.147 175.142 176.300 -0.018 0.000 1.062 233 R CA -0.388 55.705 56.100 -0.012 0.000 0.902 233 R CB 0.986 31.276 30.300 -0.016 0.000 1.050 233 R HN 0.385 nan 8.270 nan 0.000 0.461 234 V N 6.341 126.245 119.914 -0.017 0.000 2.350 234 V HA 0.347 4.467 4.120 -0.000 0.000 0.276 234 V C 0.219 176.298 176.094 -0.025 0.000 1.028 234 V CA -0.730 61.557 62.300 -0.022 0.000 0.860 234 V CB 1.366 33.178 31.823 -0.019 0.000 0.990 234 V HN 0.522 nan 8.190 nan 0.000 0.453 235 R N 3.346 123.827 120.500 -0.031 0.000 2.247 235 R HA 0.417 4.757 4.340 -0.000 0.000 0.329 235 R C 0.361 176.638 176.300 -0.038 0.000 1.014 235 R CA -0.308 55.772 56.100 -0.034 0.000 0.907 235 R CB 1.255 31.532 30.300 -0.038 0.000 1.146 235 R HN 0.852 nan 8.270 nan 0.000 0.499 236 T N -1.434 113.098 114.554 -0.037 0.000 2.824 236 T HA 0.245 4.595 4.350 -0.000 0.000 0.277 236 T C 0.442 175.106 174.700 -0.060 0.000 0.975 236 T CA -0.804 61.273 62.100 -0.038 0.000 0.966 236 T CB 1.064 69.914 68.868 -0.031 0.000 1.054 236 T HN 0.567 nan 8.240 nan 0.000 0.533 237 K N 0.049 120.404 120.400 -0.075 0.000 2.975 237 K HA -0.148 4.172 4.320 -0.000 0.000 0.257 237 K C -0.487 176.001 176.600 -0.188 0.000 1.005 237 K CA 0.819 57.021 56.287 -0.141 0.000 0.738 237 K CB -1.973 30.465 32.500 -0.102 0.000 1.236 237 K HN 0.802 nan 8.250 nan 0.000 0.483 238 T N 0.356 114.813 114.554 -0.162 0.000 2.900 238 T HA 0.485 4.835 4.350 -0.000 0.000 0.295 238 T C -0.737 173.895 174.700 -0.113 0.000 1.044 238 T CA -1.033 60.984 62.100 -0.137 0.000 0.995 238 T CB 2.157 70.980 68.868 -0.074 0.000 1.072 238 T HN 0.281 nan 8.240 nan 0.000 0.473 239 K N 0.113 120.466 120.400 -0.077 0.000 2.426 239 K HA 0.851 5.171 4.320 -0.000 0.000 0.251 239 K C -1.239 175.392 176.600 0.052 0.000 0.941 239 K CA -1.120 55.185 56.287 0.030 0.000 0.808 239 K CB 2.139 34.699 32.500 0.100 0.000 1.265 239 K HN 0.597 nan 8.250 nan 0.000 0.432 240 A N 2.642 125.506 122.820 0.073 0.000 2.276 240 A HA 0.398 4.718 4.320 -0.000 0.000 0.300 240 A C 0.528 178.312 177.584 0.334 0.000 1.235 240 A CA -0.800 51.324 52.037 0.146 0.000 0.867 240 A CB 0.771 19.707 19.000 -0.107 0.000 1.137 240 A HN 0.574 nan 8.150 nan 0.000 0.527 241 V N 2.524 122.620 119.914 0.302 0.000 2.575 241 V HA 0.400 4.520 4.120 -0.000 0.000 0.242 241 V C 1.376 177.552 176.094 0.136 0.000 1.045 241 V CA 1.519 63.944 62.300 0.208 0.000 1.065 241 V CB -0.527 31.358 31.823 0.103 0.000 0.717 241 V HN 1.237 nan 8.190 nan 0.000 0.467 242 G N -1.145 107.703 108.800 0.081 0.000 2.342 242 G HA2 0.512 4.472 3.960 -0.000 0.000 0.297 242 G HA3 0.512 4.472 3.960 -0.000 0.000 0.297 242 G C -1.891 172.958 174.900 -0.086 0.000 1.313 242 G CA 0.011 44.911 45.100 -0.333 0.000 0.830 242 G HN 0.307 nan 8.290 nan 0.000 0.506 243 Y N -1.554 118.523 120.300 -0.372 0.000 2.744 243 Y HA 0.879 5.429 4.550 -0.000 0.000 0.330 243 Y C -1.110 174.732 175.900 -0.097 0.000 1.263 243 Y CA -1.509 56.518 58.100 -0.122 0.000 1.065 243 Y CB 1.740 40.185 38.460 -0.025 0.000 1.306 243 Y HN 0.760 nan 8.280 nan 0.000 0.459 244 E N 1.740 121.873 120.200 -0.112 0.000 2.274 244 E HA 0.260 4.610 4.350 -0.000 0.000 0.269 244 E C -1.745 174.863 176.600 0.012 0.000 0.891 244 E CA -0.914 55.353 56.400 -0.221 0.000 0.784 244 E CB 1.622 31.234 29.700 -0.148 0.000 1.225 244 E HN 0.677 nan 8.360 nan 0.000 0.412 245 K N 4.163 124.551 120.400 -0.021 0.000 2.379 245 K HA 0.194 4.514 4.320 -0.000 0.000 0.284 245 K C -0.746 175.875 176.600 0.035 0.000 1.044 245 K CA 0.230 56.586 56.287 0.115 0.000 0.974 245 K CB 0.600 33.171 32.500 0.118 0.000 0.962 245 K HN 0.395 nan 8.250 nan 0.000 0.474 246 K N 2.534 122.980 120.400 0.075 0.000 2.409 246 K HA 0.134 4.454 4.320 -0.000 0.000 0.252 246 K C 0.459 177.096 176.600 0.061 0.000 1.036 246 K CA -0.878 55.414 56.287 0.008 0.000 0.871 246 K CB 1.435 33.860 32.500 -0.126 0.000 1.374 246 K HN 0.418 nan 8.250 nan 0.000 0.459 247 K N 1.157 121.579 120.400 0.037 0.000 2.160 247 K HA -0.201 4.119 4.320 -0.000 0.000 0.206 247 K C 0.739 177.380 176.600 0.068 0.000 1.047 247 K CA 2.485 58.799 56.287 0.046 0.000 0.930 247 K CB 0.037 32.554 32.500 0.029 0.000 0.720 247 K HN 0.642 nan 8.250 nan 0.000 0.450 248 D N -1.310 119.154 120.400 0.107 0.000 2.369 248 D HA 0.143 4.783 4.640 -0.000 0.000 0.211 248 D C 0.736 177.093 176.300 0.095 0.000 1.077 248 D CA 0.543 54.604 54.000 0.101 0.000 0.842 248 D CB 0.766 41.633 40.800 0.112 0.000 0.947 248 D HN 0.365 nan 8.370 nan 0.000 0.509 249 G N -0.180 108.699 108.800 0.132 0.000 2.340 249 G HA2 0.208 4.168 3.960 -0.000 0.000 0.282 249 G HA3 0.208 4.168 3.960 -0.000 0.000 0.282 249 G C -2.002 173.014 174.900 0.194 0.000 1.312 249 G CA -0.945 44.215 45.100 0.100 0.000 0.942 249 G HN 0.086 nan 8.290 nan 0.000 0.495 250 L N 1.732 123.031 121.223 0.126 0.000 2.265 250 L HA 0.430 4.770 4.340 -0.000 0.000 0.288 250 L C 0.345 177.329 176.870 0.191 0.000 1.058 250 L CA -0.362 54.614 54.840 0.226 0.000 0.809 250 L CB 0.998 43.116 42.059 0.098 0.000 1.179 250 L HN 0.530 nan 8.230 nan 0.000 0.429 251 H N 3.643 122.801 119.070 0.146 0.000 2.787 251 H HA 0.312 4.868 4.556 -0.000 0.000 0.275 251 H C -0.674 174.746 175.328 0.153 0.000 1.183 251 H CA -0.601 55.509 56.048 0.103 0.000 1.290 251 H CB 1.009 30.805 29.762 0.057 0.000 1.438 251 H HN 0.264 nan 8.280 nan 0.000 0.487 252 V N 4.590 124.626 119.914 0.203 0.000 2.465 252 V HA 0.143 4.263 4.120 -0.000 0.000 0.279 252 V C 0.688 176.885 176.094 0.172 0.000 1.045 252 V CA -0.574 61.874 62.300 0.247 0.000 0.938 252 V CB 1.661 33.614 31.823 0.217 0.000 0.986 252 V HN 0.648 nan 8.190 nan 0.000 0.467 253 R N 5.112 125.722 120.500 0.184 0.000 2.229 253 R HA 0.581 4.921 4.340 -0.000 0.000 0.328 253 R C -1.371 175.000 176.300 0.118 0.000 1.009 253 R CA -0.471 55.700 56.100 0.118 0.000 0.864 253 R CB 0.537 30.888 30.300 0.085 0.000 1.085 253 R HN 0.694 nan 8.270 nan 0.000 0.453 254 L N 3.832 125.097 121.223 0.070 0.000 2.334 254 L HA 0.494 4.834 4.340 -0.000 0.000 0.276 254 L C 0.309 177.191 176.870 0.021 0.000 1.014 254 L CA -0.572 54.295 54.840 0.045 0.000 0.815 254 L CB 2.071 44.140 42.059 0.016 0.000 1.268 254 L HN 0.761 nan 8.230 nan 0.000 0.428 255 E N 0.543 120.747 120.200 0.006 0.000 4.442 255 E HA 0.040 4.390 4.350 -0.000 0.000 0.185 255 E C 0.471 177.039 176.600 -0.054 0.000 1.080 255 E CA -0.374 56.017 56.400 -0.015 0.000 0.993 255 E CB 0.241 29.939 29.700 -0.003 0.000 1.905 255 E HN 0.649 nan 8.360 nan 0.000 0.416 256 E N 1.120 121.192 120.200 -0.213 0.000 2.641 256 E HA -0.313 4.037 4.350 -0.000 0.000 0.262 256 E C 0.387 176.967 176.600 -0.033 0.000 1.187 256 E CA 2.164 58.523 56.400 -0.068 0.000 1.187 256 E CB -0.729 28.947 29.700 -0.039 0.000 1.002 256 E HN 0.531 nan 8.360 nan 0.000 0.424 257 G N -1.258 107.512 108.800 -0.051 0.000 2.329 257 G HA2 0.529 4.489 3.960 -0.000 0.000 0.308 257 G HA3 0.529 4.489 3.960 -0.000 0.000 0.308 257 G C -0.211 174.673 174.900 -0.027 0.000 1.587 257 G CA 0.154 45.239 45.100 -0.025 0.000 0.978 257 G HN 1.034 nan 8.290 nan 0.000 0.685 258 G N -1.527 107.262 108.800 -0.018 0.000 2.343 258 G HA2 0.727 4.687 3.960 -0.000 0.000 0.289 258 G HA3 0.727 4.687 3.960 -0.000 0.000 0.289 258 G C -0.174 174.719 174.900 -0.011 0.000 1.295 258 G CA 0.724 45.814 45.100 -0.016 0.000 0.869 258 G HN 2.143 nan 8.290 nan 0.000 0.522 259 E N -0.725 119.469 120.200 -0.010 0.000 2.414 259 E HA 0.521 4.871 4.350 -0.000 0.000 0.263 259 E C 0.886 177.484 176.600 -0.003 0.000 1.000 259 E CA 0.394 56.791 56.400 -0.005 0.000 0.914 259 E CB 0.498 30.195 29.700 -0.005 0.000 0.948 259 E HN 2.064 nan 8.360 nan 0.000 0.444 260 G N 1.141 109.943 108.800 0.003 0.000 2.420 260 G HA2 0.501 4.461 3.960 -0.000 0.000 0.284 260 G HA3 0.501 4.461 3.960 -0.000 0.000 0.284 260 G C -0.028 174.878 174.900 0.011 0.000 1.177 260 G CA 0.106 45.212 45.100 0.009 0.000 0.841 260 G HN 0.865 nan 8.290 nan 0.000 0.527 261 E N -0.042 120.166 120.200 0.014 0.000 2.320 261 E HA 0.624 4.974 4.350 -0.000 0.000 0.264 261 E C -0.922 175.693 176.600 0.025 0.000 0.923 261 E CA -0.981 55.427 56.400 0.014 0.000 0.796 261 E CB 2.472 32.174 29.700 0.003 0.000 1.262 261 E HN 0.442 nan 8.360 nan 0.000 0.428 262 E N 1.184 121.398 120.200 0.024 0.000 2.238 262 E HA 0.498 4.848 4.350 -0.000 0.000 0.267 262 E C -1.891 174.709 176.600 -0.000 0.000 0.887 262 E CA -1.087 55.332 56.400 0.032 0.000 0.769 262 E CB 2.445 32.181 29.700 0.059 0.000 1.187 262 E HN 0.319 nan 8.360 nan 0.000 0.416 263 V N 4.202 124.108 119.914 -0.013 0.000 2.841 263 V HA 0.500 4.620 4.120 -0.000 0.000 0.310 263 V C -1.485 174.547 176.094 -0.102 0.000 1.090 263 V CA -0.533 61.736 62.300 -0.052 0.000 0.930 263 V CB 2.056 33.856 31.823 -0.039 0.000 1.014 263 V HN 0.537 nan 8.190 nan 0.000 0.425 264 V N 7.020 126.839 119.914 -0.159 0.000 2.384 264 V HA 0.717 4.837 4.120 -0.000 0.000 0.287 264 V C -0.093 175.915 176.094 -0.144 0.000 1.020 264 V CA -0.189 61.967 62.300 -0.239 0.000 0.850 264 V CB 1.432 33.024 31.823 -0.385 0.000 0.987 264 V HN 0.964 nan 8.190 nan 0.000 0.436 265 V N 0.831 120.674 119.914 -0.119 0.000 3.102 265 V HA 0.652 4.772 4.120 -0.000 0.000 0.312 265 V C 0.168 176.202 176.094 -0.100 0.000 1.135 265 V CA -0.629 61.606 62.300 -0.109 0.000 1.022 265 V CB 2.487 34.230 31.823 -0.134 0.000 1.056 265 V HN 0.606 nan 8.190 nan 0.000 0.436 266 D N 0.190 120.524 120.400 -0.110 0.000 2.305 266 D HA 0.199 4.839 4.640 -0.000 0.000 0.206 266 D C 0.183 176.366 176.300 -0.195 0.000 0.974 266 D CA 0.934 54.874 54.000 -0.100 0.000 0.871 266 D CB 0.745 41.509 40.800 -0.060 0.000 0.947 266 D HN 0.496 nan 8.370 nan 0.000 0.516 267 K N -0.288 119.926 120.400 -0.310 0.000 2.556 267 K HA 0.431 4.751 4.320 -0.000 0.000 0.274 267 K C -1.669 174.615 176.600 -0.527 0.000 0.966 267 K CA -0.597 55.359 56.287 -0.552 0.000 0.865 267 K CB 3.000 34.931 32.500 -0.949 0.000 1.444 267 K HN -0.328 nan 8.250 nan 0.000 0.433 268 V N 2.794 122.361 119.914 -0.579 0.000 2.656 268 V HA 0.548 4.668 4.120 -0.000 0.000 0.307 268 V C -1.285 174.591 176.094 -0.365 0.000 1.051 268 V CA -0.953 61.088 62.300 -0.431 0.000 0.893 268 V CB 1.602 33.202 31.823 -0.373 0.000 0.999 268 V HN 0.636 nan 8.190 nan 0.000 0.426 269 L N 6.110 127.179 121.223 -0.255 0.000 2.305 269 L HA 0.691 5.031 4.340 -0.000 0.000 0.284 269 L C -0.574 176.259 176.870 -0.062 0.000 1.013 269 L CA -0.043 54.752 54.840 -0.075 0.000 0.819 269 L CB 1.720 43.741 42.059 -0.063 0.000 1.227 269 L HN 0.433 nan 8.230 nan 0.000 0.417 270 V N 5.565 125.517 119.914 0.064 0.000 2.348 270 V HA 0.708 4.828 4.120 -0.000 0.000 0.270 270 V C 0.531 176.700 176.094 0.126 0.000 1.037 270 V CA 0.077 62.396 62.300 0.033 0.000 0.872 270 V CB 0.875 32.702 31.823 0.007 0.000 1.002 270 V HN 0.942 nan 8.190 nan 0.000 0.464 271 A N 4.444 127.292 122.820 0.046 0.000 3.258 271 A HA 0.535 4.855 4.320 -0.000 0.000 0.318 271 A C 0.422 178.026 177.584 0.034 0.000 0.990 271 A CA -0.041 52.033 52.037 0.061 0.000 0.885 271 A CB 0.827 19.854 19.000 0.045 0.000 1.090 271 A HN 1.052 nan 8.150 nan 0.000 0.479 272 V N -2.378 117.560 119.914 0.040 0.000 3.621 272 V HA 0.667 4.787 4.120 -0.000 0.000 0.285 272 V C 0.691 176.804 176.094 0.033 0.000 1.346 272 V CA 0.520 62.831 62.300 0.019 0.000 1.104 272 V CB -0.601 31.222 31.823 0.000 0.000 0.913 272 V HN 1.592 nan 8.190 nan 0.000 0.432 273 G N 0.170 109.005 108.800 0.057 0.000 2.362 273 G HA2 0.342 4.301 3.960 -0.000 0.000 0.288 273 G HA3 0.342 4.301 3.960 -0.000 0.000 0.288 273 G C -1.583 173.363 174.900 0.077 0.000 1.305 273 G CA -0.962 44.175 45.100 0.062 0.000 0.910 273 G HN 0.305 nan 8.290 nan 0.000 0.518 274 R N -0.187 120.359 120.500 0.077 0.000 2.795 274 R HA 0.652 4.992 4.340 -0.000 0.000 0.275 274 R C -0.838 175.481 176.300 0.033 0.000 0.981 274 R CA -0.907 55.228 56.100 0.059 0.000 0.917 274 R CB 2.421 32.755 30.300 0.057 0.000 1.202 274 R HN 0.695 nan 8.270 nan 0.000 0.469 275 K N 2.982 123.373 120.400 -0.015 0.000 2.292 275 K HA 0.419 4.739 4.320 -0.000 0.000 0.257 275 K C -2.365 174.131 176.600 -0.173 0.000 0.940 275 K CA -1.924 54.309 56.287 -0.090 0.000 0.811 275 K CB 1.951 34.431 32.500 -0.034 0.000 1.120 275 K HN 0.224 nan 8.250 nan 0.000 0.428 276 P HA 0.048 nan 4.420 nan 0.000 0.271 276 P C -1.041 176.145 177.300 -0.190 0.000 1.216 276 P CA -0.055 62.824 63.100 -0.368 0.000 0.776 276 P CB 0.563 31.829 31.700 -0.723 0.000 0.881 277 R N 1.834 122.267 120.500 -0.112 0.000 3.266 277 R HA 0.182 4.521 4.340 -0.000 0.000 0.224 277 R C 0.831 177.113 176.300 -0.030 0.000 1.525 277 R CA 0.056 56.131 56.100 -0.042 0.000 1.364 277 R CB -0.473 29.826 30.300 -0.003 0.000 1.276 277 R HN 0.555 nan 8.270 nan 0.000 0.660 278 T N -2.969 111.560 114.554 -0.042 0.000 3.091 278 T HA 0.162 4.512 4.350 -0.000 0.000 0.277 278 T C 0.303 175.011 174.700 0.012 0.000 0.996 278 T CA -0.421 61.665 62.100 -0.023 0.000 0.897 278 T CB 0.392 69.228 68.868 -0.053 0.000 1.109 278 T HN 0.260 nan 8.240 nan 0.000 0.534 279 E N 0.964 121.181 120.200 0.029 0.000 2.197 279 E HA 0.517 4.867 4.350 -0.000 0.000 0.281 279 E C 0.798 177.452 176.600 0.091 0.000 0.995 279 E CA -0.287 56.137 56.400 0.041 0.000 0.808 279 E CB 1.108 30.819 29.700 0.018 0.000 1.093 279 E HN 0.412 nan 8.360 nan 0.000 0.394 280 G N 2.591 111.445 108.800 0.090 0.000 2.141 280 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.242 280 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.242 280 G C 0.466 175.517 174.900 0.252 0.000 0.982 280 G CA 0.202 45.379 45.100 0.129 0.000 0.662 280 G HN 0.499 nan 8.290 nan 0.000 0.527 281 L N 0.644 121.969 121.223 0.171 0.000 2.529 281 L HA 0.544 4.884 4.340 -0.000 0.000 0.223 281 L C 1.915 178.825 176.870 0.067 0.000 1.113 281 L CA 1.695 56.600 54.840 0.108 0.000 0.861 281 L CB -0.073 42.000 42.059 0.023 0.000 1.012 281 L HN 1.493 nan 8.230 nan 0.000 0.461 282 G N -0.365 108.478 108.800 0.070 0.000 2.256 282 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.272 282 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.272 282 G C 0.799 175.716 174.900 0.029 0.000 1.076 282 G CA 0.637 45.766 45.100 0.049 0.000 0.882 282 G HN 0.384 nan 8.290 nan 0.000 0.497 283 L N 0.035 121.272 121.223 0.024 0.000 2.022 283 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 283 L C 2.991 179.869 176.870 0.012 0.000 1.076 283 L CA 1.516 56.364 54.840 0.013 0.000 0.749 283 L CB -0.487 41.578 42.059 0.010 0.000 0.903 283 L HN 0.496 nan 8.230 nan 0.000 0.439 284 E N 1.421 121.629 120.200 0.014 0.000 2.253 284 E HA -0.304 4.046 4.350 -0.000 0.000 0.202 284 E C 1.651 178.258 176.600 0.012 0.000 1.014 284 E CA 1.693 58.100 56.400 0.012 0.000 0.823 284 E CB -0.458 29.250 29.700 0.013 0.000 0.736 284 E HN 0.522 nan 8.360 nan 0.000 0.478 285 K N 0.200 120.609 120.400 0.014 0.000 2.243 285 K HA 0.207 4.527 4.320 -0.000 0.000 0.201 285 K C 2.113 178.720 176.600 0.012 0.000 1.051 285 K CA 0.780 57.076 56.287 0.014 0.000 0.970 285 K CB 0.112 32.623 32.500 0.019 0.000 0.755 285 K HN 0.202 nan 8.250 nan 0.000 0.465 286 A N 0.422 123.249 122.820 0.011 0.000 2.169 286 A HA 0.181 4.501 4.320 -0.000 0.000 0.212 286 A C 1.529 179.115 177.584 0.002 0.000 1.153 286 A CA 1.135 53.177 52.037 0.008 0.000 0.756 286 A CB -0.187 18.817 19.000 0.008 0.000 0.813 286 A HN 0.413 nan 8.150 nan 0.000 0.471 287 G N -1.995 106.806 108.800 0.002 0.000 2.238 287 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.217 287 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.217 287 G C 0.214 175.111 174.900 -0.005 0.000 0.996 287 G CA -0.071 45.028 45.100 -0.002 0.000 0.632 287 G HN 0.730 nan 8.290 nan 0.000 0.503 288 V N 2.895 122.806 119.914 -0.005 0.000 2.458 288 V HA 0.248 4.368 4.120 -0.000 0.000 0.287 288 V C 0.984 177.079 176.094 0.002 0.000 1.009 288 V CA 0.497 62.794 62.300 -0.006 0.000 1.091 288 V CB 0.721 32.541 31.823 -0.004 0.000 0.960 288 V HN 0.381 nan 8.190 nan 0.000 0.476 289 K N 3.708 124.109 120.400 0.002 0.000 2.126 289 K HA 0.695 5.015 4.320 -0.000 0.000 0.257 289 K C -0.605 176.007 176.600 0.020 0.000 1.007 289 K CA -0.491 55.801 56.287 0.009 0.000 0.928 289 K CB 1.513 34.017 32.500 0.007 0.000 1.013 289 K HN 0.449 nan 8.250 nan 0.000 0.473 290 V N 0.829 120.758 119.914 0.026 0.000 3.130 290 V HA 0.195 4.315 4.120 -0.000 0.000 0.310 290 V C -0.943 175.181 176.094 0.050 0.000 1.158 290 V CA -0.936 61.389 62.300 0.041 0.000 1.029 290 V CB 2.286 34.125 31.823 0.028 0.000 1.057 290 V HN 0.997 nan 8.190 nan 0.000 0.436 291 D N -0.411 120.037 120.400 0.080 0.000 2.494 291 D HA 0.440 5.080 4.640 -0.000 0.000 0.259 291 D C 0.628 176.975 176.300 0.079 0.000 1.109 291 D CA -0.562 53.485 54.000 0.079 0.000 1.040 291 D CB 0.820 41.679 40.800 0.098 0.000 1.175 291 D HN 0.410 nan 8.370 nan 0.000 0.584 292 E N -0.276 119.966 120.200 0.069 0.000 2.114 292 E HA -0.212 4.138 4.350 -0.000 0.000 0.199 292 E C 1.849 178.494 176.600 0.076 0.000 1.008 292 E CA 1.611 58.045 56.400 0.058 0.000 0.810 292 E CB -0.332 29.396 29.700 0.047 0.000 0.739 292 E HN 0.407 nan 8.360 nan 0.000 0.456 293 R N -1.135 119.448 120.500 0.139 0.000 2.193 293 R HA 0.166 4.506 4.340 -0.000 0.000 0.213 293 R C 1.267 177.601 176.300 0.057 0.000 1.055 293 R CA 0.819 57.023 56.100 0.173 0.000 0.995 293 R CB 0.162 30.708 30.300 0.410 0.000 0.893 293 R HN 0.350 nan 8.270 nan 0.000 0.459 294 G N -0.665 108.173 108.800 0.063 0.000 2.175 294 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.182 294 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.182 294 G C -0.063 174.759 174.900 -0.130 0.000 1.003 294 G CA -0.734 44.327 45.100 -0.065 0.000 0.666 294 G HN 0.104 nan 8.290 nan 0.000 0.506 295 F N 0.858 120.805 119.950 -0.004 0.000 2.410 295 F HA 0.579 5.106 4.527 -0.000 0.000 0.334 295 F C 1.410 177.204 175.800 -0.010 0.000 1.134 295 F CA -0.540 57.454 58.000 -0.010 0.000 1.227 295 F CB 0.657 39.647 39.000 -0.018 0.000 1.194 295 F HN -0.055 nan 8.300 nan 0.000 0.571 296 I N 3.403 124.071 120.570 0.163 0.000 2.322 296 I HA 0.189 4.359 4.170 -0.000 0.000 0.292 296 I C 0.122 176.290 176.117 0.086 0.000 1.060 296 I CA -0.485 60.868 61.300 0.088 0.000 1.309 296 I CB 0.353 38.384 38.000 0.052 0.000 1.415 296 I HN 0.435 nan 8.210 nan 0.000 0.492 297 R N 5.608 126.144 120.500 0.059 0.000 2.502 297 R HA 0.272 4.612 4.340 -0.000 0.000 0.292 297 R C -0.382 175.927 176.300 0.016 0.000 0.998 297 R CA 0.027 56.146 56.100 0.033 0.000 1.056 297 R CB 0.374 30.687 30.300 0.020 0.000 0.939 297 R HN 0.584 nan 8.270 nan 0.000 0.411 298 V N -0.408 119.511 119.914 0.008 0.000 3.188 298 V HA 0.527 4.647 4.120 -0.000 0.000 0.305 298 V C -0.904 175.191 176.094 0.002 0.000 1.232 298 V CA -1.390 60.914 62.300 0.007 0.000 1.043 298 V CB 2.248 34.087 31.823 0.027 0.000 1.068 298 V HN 0.850 nan 8.190 nan 0.000 0.439 299 N N 1.596 120.304 118.700 0.014 0.000 2.643 299 N HA 0.657 5.397 4.740 -0.000 0.000 0.305 299 N C 1.024 176.560 175.510 0.043 0.000 1.283 299 N CA -0.193 52.868 53.050 0.019 0.000 0.946 299 N CB 0.836 39.335 38.487 0.020 0.000 1.149 299 N HN 1.111 nan 8.380 nan 0.000 0.600 300 A N -0.658 122.193 122.820 0.052 0.000 2.131 300 A HA -0.116 4.204 4.320 -0.000 0.000 0.220 300 A C 1.760 179.423 177.584 0.132 0.000 1.158 300 A CA 1.063 53.153 52.037 0.088 0.000 0.665 300 A CB -0.674 18.371 19.000 0.075 0.000 0.795 300 A HN 0.646 nan 8.150 nan 0.000 0.460 301 R N -1.802 118.772 120.500 0.125 0.000 2.317 301 R HA 0.185 4.525 4.340 -0.000 0.000 0.208 301 R C 0.079 176.521 176.300 0.238 0.000 0.914 301 R CA 0.207 56.409 56.100 0.170 0.000 1.060 301 R CB 0.156 30.554 30.300 0.163 0.000 1.015 301 R HN 0.338 nan 8.270 nan 0.000 0.498 302 M N -0.445 119.268 119.600 0.187 0.000 2.939 302 M HA -0.210 4.270 4.480 -0.000 0.000 0.202 302 M C -0.296 176.162 176.300 0.263 0.000 0.592 302 M CA 0.946 56.370 55.300 0.205 0.000 0.749 302 M CB -2.371 30.359 32.600 0.217 0.000 2.692 302 M HN 0.224 nan 8.290 nan 0.000 0.382 303 E N 1.514 121.796 120.200 0.136 0.000 2.283 303 E HA 0.414 4.764 4.350 -0.000 0.000 0.278 303 E C 0.845 177.377 176.600 -0.112 0.000 1.027 303 E CA 0.323 56.635 56.400 -0.148 0.000 0.843 303 E CB 1.173 30.738 29.700 -0.224 0.000 1.062 303 E HN 0.375 nan 8.360 nan 0.000 0.401 304 T N 0.314 114.771 114.554 -0.160 0.000 2.793 304 T HA 0.056 4.406 4.350 -0.000 0.000 0.299 304 T C 1.300 175.949 174.700 -0.086 0.000 1.038 304 T CA -0.016 62.034 62.100 -0.083 0.000 0.948 304 T CB 0.895 69.725 68.868 -0.063 0.000 1.231 304 T HN 0.445 nan 8.240 nan 0.000 0.538 305 S N -1.219 114.450 115.700 -0.052 0.000 2.547 305 S HA 0.096 4.566 4.470 -0.000 0.000 0.235 305 S C 0.490 175.059 174.600 -0.053 0.000 0.980 305 S CA -0.339 57.835 58.200 -0.043 0.000 0.941 305 S CB -0.515 62.671 63.200 -0.023 0.000 0.763 305 S HN 0.555 nan 8.310 nan 0.000 0.532 306 V N 3.519 123.390 119.914 -0.072 0.000 2.350 306 V HA 0.407 4.527 4.120 -0.000 0.000 0.285 306 V C -2.612 173.409 176.094 -0.121 0.000 1.014 306 V CA -2.263 59.994 62.300 -0.072 0.000 0.831 306 V CB 1.234 33.026 31.823 -0.052 0.000 1.000 306 V HN 0.103 nan 8.190 nan 0.000 0.433 307 P HA 0.218 nan 4.420 nan 0.000 0.264 307 P C 1.053 178.272 177.300 -0.135 0.000 1.183 307 P CA 1.437 64.454 63.100 -0.139 0.000 0.763 307 P CB 0.682 32.339 31.700 -0.072 0.000 0.807 308 G N 1.174 109.844 108.800 -0.216 0.000 2.241 308 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 308 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 308 G C -0.074 174.779 174.900 -0.079 0.000 0.998 308 G CA -0.089 44.971 45.100 -0.067 0.000 0.621 308 G HN 0.534 nan 8.290 nan 0.000 0.519 309 V N 1.523 121.293 119.914 -0.239 0.000 2.398 309 V HA 0.742 4.862 4.120 -0.000 0.000 0.286 309 V C -0.268 175.663 176.094 -0.272 0.000 1.026 309 V CA -0.873 61.355 62.300 -0.119 0.000 0.868 309 V CB 0.984 32.766 31.823 -0.067 0.000 0.982 309 V HN 0.269 nan 8.190 nan 0.000 0.443 310 Y N 2.127 122.430 120.300 0.006 0.000 2.598 310 Y HA 0.858 5.408 4.550 -0.000 0.000 0.340 310 Y C 0.288 176.189 175.900 0.002 0.000 1.038 310 Y CA -0.980 57.125 58.100 0.008 0.000 1.100 310 Y CB 2.136 40.604 38.460 0.013 0.000 1.281 310 Y HN 0.705 nan 8.280 nan 0.000 0.488 311 A N 2.325 125.247 122.820 0.171 0.000 2.449 311 A HA 0.897 5.217 4.320 -0.000 0.000 0.302 311 A C -1.094 176.539 177.584 0.081 0.000 1.048 311 A CA -0.624 51.468 52.037 0.093 0.000 0.708 311 A CB 1.007 20.044 19.000 0.061 0.000 1.274 311 A HN 0.774 nan 8.150 nan 0.000 0.410 312 I N -1.259 119.339 120.570 0.047 0.000 3.264 312 I HA 0.927 5.097 4.170 -0.000 0.000 0.315 312 I C 0.613 176.734 176.117 0.005 0.000 1.154 312 I CA -0.416 60.897 61.300 0.023 0.000 0.962 312 I CB 1.702 39.709 38.000 0.012 0.000 1.265 312 I HN 1.777 nan 8.210 nan 0.000 0.463 313 G N 2.175 110.964 108.800 -0.020 0.000 2.564 313 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.273 313 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.273 313 G C 0.133 175.047 174.900 0.024 0.000 1.242 313 G CA 0.856 45.941 45.100 -0.024 0.000 0.951 313 G HN 0.883 nan 8.290 nan 0.000 0.564 314 D N 0.482 120.902 120.400 0.034 0.000 2.265 314 D HA 0.139 4.779 4.640 -0.000 0.000 0.208 314 D C 2.485 178.863 176.300 0.130 0.000 0.977 314 D CA 2.033 56.090 54.000 0.096 0.000 0.871 314 D CB -0.412 40.414 40.800 0.044 0.000 0.925 314 D HN 0.901 nan 8.370 nan 0.000 0.485 315 A N -0.521 122.337 122.820 0.064 0.000 2.275 315 A HA 0.476 4.796 4.320 -0.000 0.000 0.212 315 A C 1.929 179.601 177.584 0.147 0.000 1.201 315 A CA 0.895 52.943 52.037 0.018 0.000 0.843 315 A CB 0.187 19.175 19.000 -0.020 0.000 0.873 315 A HN 0.190 nan 8.150 nan 0.000 0.492 316 A N 0.349 123.290 122.820 0.203 0.000 1.938 316 A HA 0.483 4.803 4.320 -0.000 0.000 0.207 316 A C 0.984 178.677 177.584 0.181 0.000 1.292 316 A CA 0.855 52.994 52.037 0.169 0.000 0.700 316 A CB 0.215 19.250 19.000 0.057 0.000 0.947 316 A HN 0.642 nan 8.150 nan 0.000 0.476 317 R N -2.130 118.419 120.500 0.081 0.000 2.739 317 R HA 0.418 4.758 4.340 -0.000 0.000 0.266 317 R C -3.664 172.478 176.300 -0.262 0.000 1.044 317 R CA -1.429 54.514 56.100 -0.260 0.000 0.885 317 R CB 0.312 30.473 30.300 -0.231 0.000 1.260 317 R HN -0.074 nan 8.270 nan 0.000 0.477 318 P HA 0.258 nan 4.420 nan 0.000 0.274 318 P C -2.354 174.844 177.300 -0.171 0.000 1.246 318 P CA -1.140 61.825 63.100 -0.224 0.000 0.795 318 P CB 0.236 31.781 31.700 -0.259 0.000 1.006 319 P HA 0.145 nan 4.420 nan 0.000 0.274 319 P C -0.641 176.635 177.300 -0.040 0.000 1.237 319 P CA -0.020 63.051 63.100 -0.048 0.000 0.793 319 P CB 0.601 32.297 31.700 -0.007 0.000 0.977 320 L N 2.281 123.508 121.223 0.007 0.000 2.423 320 L HA 0.301 4.641 4.340 -0.000 0.000 0.249 320 L C 0.256 177.121 176.870 -0.008 0.000 1.276 320 L CA -0.067 54.787 54.840 0.024 0.000 1.199 320 L CB -0.932 41.170 42.059 0.072 0.000 1.407 320 L HN 0.177 nan 8.230 nan 0.000 0.410 321 L N 0.016 121.191 121.223 -0.080 0.000 2.341 321 L HA 0.609 4.949 4.340 -0.000 0.000 0.267 321 L C 1.156 177.898 176.870 -0.214 0.000 1.009 321 L CA -0.473 54.272 54.840 -0.159 0.000 0.819 321 L CB 1.911 43.765 42.059 -0.342 0.000 1.323 321 L HN 0.366 nan 8.230 nan 0.000 0.425 322 A N 0.784 123.521 122.820 -0.139 0.000 1.841 322 A HA -0.163 4.157 4.320 -0.000 0.000 0.214 322 A C 2.057 179.563 177.584 -0.131 0.000 1.195 322 A CA 1.555 53.545 52.037 -0.078 0.000 0.611 322 A CB -0.878 18.150 19.000 0.047 0.000 0.835 322 A HN 0.957 nan 8.150 nan 0.000 0.443 323 H N 0.091 119.142 119.070 -0.030 0.000 2.422 323 H HA -0.167 4.389 4.556 -0.000 0.000 0.298 323 H C 1.816 177.127 175.328 -0.027 0.000 1.098 323 H CA 1.642 57.658 56.048 -0.054 0.000 1.315 323 H CB -0.613 29.144 29.762 -0.009 0.000 1.382 323 H HN 0.634 nan 8.280 nan 0.000 0.523 324 K N 1.618 121.844 120.400 -0.290 0.000 2.025 324 K HA -0.021 4.299 4.320 -0.000 0.000 0.207 324 K C 2.547 179.138 176.600 -0.015 0.000 1.049 324 K CA 1.146 57.410 56.287 -0.039 0.000 0.933 324 K CB -0.205 32.216 32.500 -0.131 0.000 0.714 324 K HN 0.220 nan 8.250 nan 0.000 0.438 325 A N 1.327 124.076 122.820 -0.118 0.000 1.940 325 A HA -0.170 4.150 4.320 -0.000 0.000 0.219 325 A C 2.157 179.644 177.584 -0.162 0.000 1.176 325 A CA 1.820 53.789 52.037 -0.112 0.000 0.631 325 A CB -0.510 18.416 19.000 -0.122 0.000 0.814 325 A HN 0.410 nan 8.150 nan 0.000 0.446 326 M N -1.574 117.854 119.600 -0.285 0.000 2.086 326 M HA -0.158 4.322 4.480 -0.000 0.000 0.261 326 M C 2.361 178.505 176.300 -0.261 0.000 1.067 326 M CA 2.037 56.997 55.300 -0.567 0.000 1.116 326 M CB -0.231 31.836 32.600 -0.888 0.000 1.348 326 M HN 0.387 nan 8.290 nan 0.000 0.407 327 R N 0.914 121.351 120.500 -0.105 0.000 2.081 327 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 327 R C 1.651 178.009 176.300 0.096 0.000 1.131 327 R CA 1.831 57.912 56.100 -0.031 0.000 0.960 327 R CB -0.492 29.756 30.300 -0.085 0.000 0.856 327 R HN 0.440 nan 8.270 nan 0.000 0.436 328 E N -1.107 119.211 120.200 0.197 0.000 2.153 328 E HA -0.093 4.257 4.350 -0.000 0.000 0.194 328 E C 1.850 178.493 176.600 0.071 0.000 0.988 328 E CA 1.080 57.599 56.400 0.199 0.000 0.811 328 E CB -0.259 29.503 29.700 0.103 0.000 0.746 328 E HN 0.607 nan 8.360 nan 0.000 0.466 329 G N 1.439 110.246 108.800 0.010 0.000 2.418 329 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 329 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 329 G C 1.580 176.479 174.900 -0.001 0.000 1.158 329 G CA 0.478 45.572 45.100 -0.009 0.000 0.771 329 G HN 0.085 nan 8.290 nan 0.000 0.545 330 L N 0.335 121.571 121.223 0.021 0.000 2.046 330 L HA -0.060 4.280 4.340 -0.000 0.000 0.208 330 L C 2.847 179.713 176.870 -0.008 0.000 1.077 330 L CA 0.419 55.266 54.840 0.011 0.000 0.747 330 L CB -0.501 41.567 42.059 0.014 0.000 0.896 330 L HN 0.105 nan 8.230 nan 0.000 0.432 331 I N 0.706 121.290 120.570 0.024 0.000 2.099 331 I HA -0.286 3.884 4.170 -0.000 0.000 0.239 331 I C 2.930 179.019 176.117 -0.046 0.000 1.066 331 I CA 1.815 63.139 61.300 0.040 0.000 1.324 331 I CB -1.513 36.572 38.000 0.141 0.000 1.037 331 I HN 0.191 nan 8.210 nan 0.000 0.401 332 A N 0.894 123.658 122.820 -0.095 0.000 1.917 332 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 332 A C 2.577 179.892 177.584 -0.449 0.000 1.182 332 A CA 2.474 54.303 52.037 -0.347 0.000 0.633 332 A CB -0.927 17.929 19.000 -0.240 0.000 0.819 332 A HN 0.460 nan 8.150 nan 0.000 0.448 333 A N -0.337 122.347 122.820 -0.226 0.000 1.877 333 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 333 A C 1.922 179.420 177.584 -0.142 0.000 1.186 333 A CA 1.768 53.704 52.037 -0.169 0.000 0.620 333 A CB -0.635 18.314 19.000 -0.085 0.000 0.822 333 A HN 0.640 nan 8.150 nan 0.000 0.443 334 E N -0.073 120.068 120.200 -0.099 0.000 2.085 334 E HA -0.195 4.155 4.350 -0.000 0.000 0.194 334 E C 1.786 178.350 176.600 -0.059 0.000 0.994 334 E CA 1.300 57.666 56.400 -0.056 0.000 0.801 334 E CB -0.200 29.485 29.700 -0.023 0.000 0.743 334 E HN 0.554 nan 8.360 nan 0.000 0.453 335 N N 0.452 119.094 118.700 -0.098 0.000 2.244 335 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 335 N C 1.607 177.097 175.510 -0.033 0.000 1.016 335 N CA 1.111 54.140 53.050 -0.034 0.000 0.866 335 N CB -0.213 38.300 38.487 0.044 0.000 0.980 335 N HN 0.120 nan 8.380 nan 0.000 0.430 336 A N 0.680 123.371 122.820 -0.215 0.000 2.015 336 A HA 0.129 4.449 4.320 -0.000 0.000 0.219 336 A C 2.008 179.589 177.584 -0.005 0.000 1.163 336 A CA 1.437 53.423 52.037 -0.086 0.000 0.646 336 A CB -0.357 18.531 19.000 -0.186 0.000 0.806 336 A HN 0.274 nan 8.150 nan 0.000 0.448 337 A N -1.889 120.914 122.820 -0.028 0.000 2.278 337 A HA 0.437 4.757 4.320 -0.000 0.000 0.212 337 A C 1.714 179.306 177.584 0.014 0.000 1.213 337 A CA 1.100 53.136 52.037 -0.003 0.000 0.840 337 A CB -0.874 18.118 19.000 -0.013 0.000 0.866 337 A HN 1.757 nan 8.150 nan 0.000 0.489 338 G N -0.552 108.265 108.800 0.028 0.000 2.234 338 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.235 338 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.235 338 G C 0.601 175.521 174.900 0.034 0.000 0.997 338 G CA 0.517 45.639 45.100 0.038 0.000 0.623 338 G HN 0.567 nan 8.290 nan 0.000 0.514 339 K N 0.182 120.596 120.400 0.024 0.000 2.400 339 K HA 0.436 4.756 4.320 -0.000 0.000 0.253 339 K C -0.428 176.195 176.600 0.037 0.000 1.076 339 K CA 0.430 56.731 56.287 0.025 0.000 0.887 339 K CB 0.169 32.678 32.500 0.015 0.000 1.168 339 K HN 0.134 nan 8.250 nan 0.000 0.505 340 D N 0.128 120.549 120.400 0.036 0.000 2.405 340 D HA 0.186 4.826 4.640 -0.000 0.000 0.264 340 D C -1.551 174.778 176.300 0.047 0.000 1.240 340 D CA -0.111 53.916 54.000 0.046 0.000 0.893 340 D CB 0.588 41.411 40.800 0.038 0.000 1.198 340 D HN 0.265 nan 8.370 nan 0.000 0.514 341 S N 0.933 116.668 115.700 0.058 0.000 2.578 341 S HA 0.956 5.426 4.470 -0.000 0.000 0.301 341 S C -0.728 173.927 174.600 0.093 0.000 1.091 341 S CA -0.739 57.502 58.200 0.069 0.000 1.032 341 S CB 1.835 65.075 63.200 0.067 0.000 1.064 341 S HN 0.532 nan 8.310 nan 0.000 0.508 342 A N 1.488 124.366 122.820 0.096 0.000 2.455 342 A HA 0.697 5.017 4.320 -0.000 0.000 0.300 342 A C -1.347 176.321 177.584 0.140 0.000 1.040 342 A CA -0.636 51.470 52.037 0.114 0.000 0.697 342 A CB 0.720 19.755 19.000 0.059 0.000 1.265 342 A HN 0.676 nan 8.150 nan 0.000 0.407 343 F N 2.123 122.115 119.950 0.070 0.000 2.471 343 F HA 0.483 5.010 4.527 0.000 0.000 0.365 343 F C 0.220 175.972 175.800 -0.079 0.000 1.095 343 F CA 0.211 58.279 58.000 0.113 0.000 1.174 343 F CB 0.736 39.815 39.000 0.131 0.000 1.105 343 F HN 0.579 nan 8.300 nan 0.000 0.535 344 D N 4.891 125.055 120.400 -0.393 0.000 3.256 344 D HA 0.161 4.801 4.640 -0.000 0.000 0.332 344 D C -1.425 174.485 176.300 -0.650 0.000 1.327 344 D CA -0.056 53.744 54.000 -0.333 0.000 0.735 344 D CB -0.276 40.333 40.800 -0.318 0.000 1.280 344 D HN 0.315 nan 8.370 nan 0.000 0.572 348 V N 4.414 124.450 119.914 0.204 0.000 2.328 348 V HA 0.428 4.548 4.120 -0.000 0.000 0.278 348 V C -1.746 174.469 176.094 0.202 0.000 1.021 348 V CA -1.118 61.330 62.300 0.246 0.000 0.838 348 V CB 1.237 33.221 31.823 0.269 0.000 0.999 348 V HN 0.529 nan 8.190 nan 0.000 0.447 349 P HA 0.432 nan 4.420 nan 0.000 0.276 349 P C -0.686 176.767 177.300 0.255 0.000 1.261 349 P CA -0.313 62.851 63.100 0.107 0.000 0.800 349 P CB 1.410 33.088 31.700 -0.036 0.000 1.066 350 S N -0.794 115.026 115.700 0.201 0.000 2.541 350 S HA 0.683 5.153 4.470 -0.000 0.000 0.280 350 S C -0.793 173.968 174.600 0.267 0.000 1.112 350 S CA -0.674 57.709 58.200 0.305 0.000 0.925 350 S CB 1.228 64.644 63.200 0.360 0.000 1.067 350 S HN 0.243 nan 8.310 nan 0.000 0.479 351 V N 1.513 121.571 119.914 0.241 0.000 2.925 351 V HA 0.686 4.806 4.120 -0.000 0.000 0.311 351 V C -0.977 175.191 176.094 0.123 0.000 1.104 351 V CA -0.743 61.614 62.300 0.094 0.000 0.954 351 V CB 2.177 33.866 31.823 -0.223 0.000 1.022 351 V HN 0.880 nan 8.190 nan 0.000 0.427 352 V N 3.238 123.202 119.914 0.084 0.000 2.407 352 V HA 0.336 4.456 4.120 -0.000 0.000 0.291 352 V C -0.647 175.441 176.094 -0.009 0.000 1.018 352 V CA -0.457 61.923 62.300 0.132 0.000 0.842 352 V CB 1.456 33.384 31.823 0.175 0.000 0.996 352 V HN 0.859 nan 8.190 nan 0.000 0.426 353 Y N 2.290 122.667 120.300 0.129 0.000 2.506 353 Y HA 0.094 4.644 4.550 -0.000 0.000 0.333 353 Y C 1.823 177.781 175.900 0.096 0.000 1.177 353 Y CA -0.330 57.835 58.100 0.108 0.000 1.292 353 Y CB -0.724 37.794 38.460 0.097 0.000 1.124 353 Y HN 0.751 nan 8.280 nan 0.000 0.507 354 T N -2.861 111.796 114.554 0.171 0.000 2.698 354 T HA 0.293 4.643 4.350 -0.000 0.000 0.295 354 T C 0.361 175.118 174.700 0.095 0.000 1.007 354 T CA -0.772 61.401 62.100 0.121 0.000 0.980 354 T CB 1.015 69.939 68.868 0.094 0.000 1.036 354 T HN 0.082 nan 8.240 nan 0.000 0.526 355 S N 2.848 118.581 115.700 0.055 0.000 2.707 355 S HA 0.451 4.921 4.470 -0.000 0.000 0.312 355 S C -2.456 172.159 174.600 0.024 0.000 1.116 355 S CA -1.004 57.219 58.200 0.038 0.000 1.078 355 S CB 1.213 64.420 63.200 0.012 0.000 0.997 355 S HN 0.666 nan 8.310 nan 0.000 0.477 356 P HA 0.194 nan 4.420 nan 0.000 0.274 356 P C -0.491 176.858 177.300 0.081 0.000 1.231 356 P CA -0.406 62.733 63.100 0.064 0.000 0.790 356 P CB 0.759 32.500 31.700 0.068 0.000 0.951 357 E N 0.513 120.749 120.200 0.061 0.000 2.374 357 E HA 0.217 4.567 4.350 -0.000 0.000 0.260 357 E C -0.890 175.777 176.600 0.112 0.000 1.101 357 E CA -0.148 56.282 56.400 0.049 0.000 0.907 357 E CB 0.773 30.442 29.700 -0.053 0.000 1.014 357 E HN 0.490 nan 8.360 nan 0.000 0.427 358 W N 0.482 121.743 121.300 -0.065 0.000 2.785 358 W HA 0.564 5.224 4.660 0.000 0.000 0.333 358 W C -1.548 174.941 176.519 -0.052 0.000 1.062 358 W CA -0.375 56.957 57.345 -0.022 0.000 1.233 358 W CB 1.500 30.968 29.460 0.015 0.000 1.413 358 W HN 0.529 nan 8.180 nan 0.000 0.489 359 A N 3.461 125.826 122.820 -0.759 0.000 2.549 359 A HA 0.904 5.224 4.320 -0.000 0.000 0.297 359 A C -0.905 175.967 177.584 -1.186 0.000 1.061 359 A CA -0.368 51.255 52.037 -0.689 0.000 0.690 359 A CB 1.390 20.160 19.000 -0.383 0.000 1.287 359 A HN 1.241 nan 8.150 nan 0.000 0.402 360 G N -0.826 107.497 108.800 -0.794 0.000 2.718 360 G HA2 0.725 4.685 3.960 -0.000 0.000 0.295 360 G HA3 0.725 4.685 3.960 -0.000 0.000 0.295 360 G C -1.867 172.768 174.900 -0.442 0.000 1.421 360 G CA -0.132 44.501 45.100 -0.778 0.000 0.902 360 G HN 1.910 nan 8.290 nan 0.000 0.501 361 V N 0.613 120.140 119.914 -0.645 0.000 2.969 361 V HA 0.881 5.001 4.120 -0.000 0.000 0.304 361 V C 0.551 176.454 176.094 -0.318 0.000 1.192 361 V CA 1.398 63.516 62.300 -0.305 0.000 0.962 361 V CB 1.502 33.196 31.823 -0.216 0.000 1.045 361 V HN 2.831 nan 8.190 nan 0.000 0.428 362 G N 4.522 113.270 108.800 -0.088 0.000 2.545 362 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.216 362 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.216 362 G C -0.930 174.047 174.900 0.127 0.000 1.314 362 G CA -0.214 44.875 45.100 -0.019 0.000 0.906 362 G HN 1.275 nan 8.290 nan 0.000 0.563 363 L N 1.664 122.973 121.223 0.143 0.000 2.312 363 L HA 0.541 4.881 4.340 -0.000 0.000 0.281 363 L C 1.630 178.711 176.870 0.352 0.000 1.070 363 L CA -0.235 54.735 54.840 0.216 0.000 0.805 363 L CB 1.421 43.550 42.059 0.117 0.000 1.174 363 L HN 1.021 nan 8.230 nan 0.000 0.434 364 T N -1.912 112.804 114.554 0.271 0.000 2.788 364 T HA 0.114 4.464 4.350 -0.000 0.000 0.287 364 T C 0.949 175.682 174.700 0.055 0.000 1.007 364 T CA -0.574 61.545 62.100 0.031 0.000 1.005 364 T CB 1.078 69.877 68.868 -0.116 0.000 1.012 364 T HN 0.651 nan 8.240 nan 0.000 0.530 365 E N 0.211 120.407 120.200 -0.007 0.000 2.070 365 E HA -0.184 4.166 4.350 -0.000 0.000 0.197 365 E C 2.239 178.867 176.600 0.047 0.000 1.004 365 E CA 1.316 57.737 56.400 0.035 0.000 0.805 365 E CB -0.008 29.698 29.700 0.012 0.000 0.744 365 E HN 0.622 nan 8.360 nan 0.000 0.451 366 E N 0.649 120.862 120.200 0.023 0.000 2.106 366 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 366 E C 1.904 178.539 176.600 0.058 0.000 0.984 366 E CA 0.885 57.305 56.400 0.034 0.000 0.806 366 E CB -0.057 29.652 29.700 0.015 0.000 0.750 366 E HN 0.373 nan 8.360 nan 0.000 0.458 367 E N 0.567 120.809 120.200 0.069 0.000 2.072 367 E HA -0.107 4.243 4.350 -0.000 0.000 0.191 367 E C 2.024 178.706 176.600 0.137 0.000 0.985 367 E CA 0.915 57.372 56.400 0.094 0.000 0.801 367 E CB -0.054 29.709 29.700 0.105 0.000 0.750 367 E HN 0.173 nan 8.360 nan 0.000 0.452 368 A N 1.726 124.639 122.820 0.154 0.000 1.873 368 A HA -0.209 4.111 4.320 -0.000 0.000 0.215 368 A C 1.956 179.694 177.584 0.257 0.000 1.186 368 A CA 1.420 53.603 52.037 0.243 0.000 0.616 368 A CB -0.249 18.843 19.000 0.153 0.000 0.823 368 A HN 0.029 nan 8.150 nan 0.000 0.442 369 K N -0.790 119.702 120.400 0.153 0.000 2.002 369 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 369 K C 2.360 179.009 176.600 0.081 0.000 1.048 369 K CA 1.479 57.833 56.287 0.112 0.000 0.930 369 K CB -0.224 32.320 32.500 0.073 0.000 0.714 369 K HN 0.395 nan 8.250 nan 0.000 0.438 370 R N 0.681 121.224 120.500 0.072 0.000 2.139 370 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 370 R C 1.946 178.267 176.300 0.035 0.000 1.145 370 R CA 1.425 57.553 56.100 0.047 0.000 0.976 370 R CB -0.157 30.171 30.300 0.047 0.000 0.866 370 R HN 0.223 nan 8.270 nan 0.000 0.449 371 A N -0.873 121.986 122.820 0.064 0.000 2.167 371 A HA 0.152 4.472 4.320 -0.000 0.000 0.214 371 A C 1.419 178.911 177.584 -0.154 0.000 1.151 371 A CA 1.039 53.080 52.037 0.006 0.000 0.735 371 A CB 0.012 19.094 19.000 0.136 0.000 0.802 371 A HN 0.562 nan 8.150 nan 0.000 0.467 372 G N -2.863 105.875 108.800 -0.104 0.000 2.184 372 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.206 372 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.206 372 G C -0.036 174.755 174.900 -0.182 0.000 0.995 372 G CA -0.012 44.993 45.100 -0.159 0.000 0.651 372 G HN 0.402 nan 8.290 nan 0.000 0.511 373 Y N 0.499 120.821 120.300 0.037 0.000 2.309 373 Y HA 0.566 5.116 4.550 -0.000 0.000 0.327 373 Y C 0.874 176.802 175.900 0.046 0.000 1.172 373 Y CA -0.405 57.722 58.100 0.045 0.000 1.280 373 Y CB 0.829 39.323 38.460 0.056 0.000 1.234 373 Y HN -0.109 nan 8.280 nan 0.000 0.512 374 K N 2.405 122.928 120.400 0.205 0.000 2.220 374 K HA 0.246 4.566 4.320 -0.000 0.000 0.283 374 K C -1.018 175.673 176.600 0.151 0.000 1.098 374 K CA -0.126 56.240 56.287 0.133 0.000 0.928 374 K CB -0.055 32.504 32.500 0.098 0.000 1.214 374 K HN 0.360 nan 8.250 nan 0.000 0.442 375 V N 3.096 123.092 119.914 0.137 0.000 2.686 375 V HA 0.241 4.361 4.120 -0.000 0.000 0.295 375 V C 0.297 176.439 176.094 0.080 0.000 1.055 375 V CA -0.288 62.090 62.300 0.129 0.000 1.050 375 V CB 1.001 32.894 31.823 0.117 0.000 0.984 375 V HN 0.568 nan 8.190 nan 0.000 0.482 376 K N 3.042 123.506 120.400 0.107 0.000 2.498 376 K HA 0.737 5.057 4.320 -0.000 0.000 0.254 376 K C -1.413 175.263 176.600 0.126 0.000 0.933 376 K CA -0.616 55.648 56.287 -0.038 0.000 0.806 376 K CB 2.389 34.678 32.500 -0.351 0.000 1.301 376 K HN 0.614 nan 8.250 nan 0.000 0.432 377 V N -0.644 119.299 119.914 0.049 0.000 2.914 377 V HA 0.941 5.061 4.120 -0.000 0.000 0.314 377 V C -0.420 175.771 176.094 0.163 0.000 1.084 377 V CA -0.566 61.849 62.300 0.190 0.000 0.963 377 V CB 1.756 33.651 31.823 0.121 0.000 1.025 377 V HN 0.800 nan 8.190 nan 0.000 0.432 378 G N 1.920 110.870 108.800 0.251 0.000 2.530 378 G HA2 0.705 4.665 3.960 -0.000 0.000 0.316 378 G HA3 0.705 4.665 3.960 -0.000 0.000 0.316 378 G C -1.110 173.877 174.900 0.145 0.000 1.298 378 G CA -0.923 44.292 45.100 0.192 0.000 0.948 378 G HN 0.837 nan 8.290 nan 0.000 0.486 379 K N 0.835 121.313 120.400 0.130 0.000 2.371 379 K HA 0.554 4.874 4.320 -0.000 0.000 0.251 379 K C -1.937 174.776 176.600 0.189 0.000 0.934 379 K CA -0.761 55.604 56.287 0.129 0.000 0.798 379 K CB 2.922 35.469 32.500 0.078 0.000 1.204 379 K HN 0.377 nan 8.250 nan 0.000 0.427 380 F N 4.549 124.514 119.950 0.025 0.000 2.562 380 F HA 0.364 4.891 4.527 -0.000 0.000 0.319 380 F C -2.550 173.261 175.800 0.019 0.000 1.154 380 F CA -2.149 55.865 58.000 0.023 0.000 0.931 380 F CB 1.696 40.705 39.000 0.015 0.000 1.198 380 F HN 0.314 nan 8.300 nan 0.000 0.444 381 P HA 0.206 nan 4.420 nan 0.000 0.284 381 P C 0.535 177.609 177.300 -0.376 0.000 1.253 381 P CA -0.270 62.627 63.100 -0.339 0.000 0.800 381 P CB 2.014 33.544 31.700 -0.284 0.000 0.961 382 L N 2.314 123.466 121.223 -0.118 0.000 2.362 382 L HA -0.137 4.203 4.340 -0.000 0.000 0.219 382 L C 2.421 179.252 176.870 -0.065 0.000 1.134 382 L CA 1.276 56.097 54.840 -0.032 0.000 0.807 382 L CB -0.678 41.395 42.059 0.023 0.000 0.927 382 L HN 0.429 nan 8.230 nan 0.000 0.447 383 A N -0.025 122.731 122.820 -0.107 0.000 2.125 383 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 383 A C 2.111 179.638 177.584 -0.096 0.000 1.156 383 A CA 1.547 53.536 52.037 -0.079 0.000 0.671 383 A CB -0.344 18.610 19.000 -0.076 0.000 0.794 383 A HN 0.394 nan 8.150 nan 0.000 0.459 384 A N -0.871 121.835 122.820 -0.190 0.000 2.387 384 A HA 0.445 4.765 4.320 -0.000 0.000 0.234 384 A C 0.997 178.600 177.584 0.033 0.000 1.253 384 A CA 0.572 52.529 52.037 -0.134 0.000 0.894 384 A CB -0.264 18.550 19.000 -0.309 0.000 0.963 384 A HN 0.400 nan 8.150 nan 0.000 0.508 385 S N -0.208 115.530 115.700 0.063 0.000 2.430 385 S HA 0.446 4.916 4.470 -0.000 0.000 0.289 385 S C 1.465 176.077 174.600 0.020 0.000 1.143 385 S CA 0.054 58.328 58.200 0.123 0.000 1.067 385 S CB 0.929 64.228 63.200 0.165 0.000 0.964 385 S HN 0.484 nan 8.310 nan 0.000 0.485 386 G N 4.845 113.628 108.800 -0.028 0.000 2.440 386 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 386 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 386 G C 1.501 176.368 174.900 -0.055 0.000 1.154 386 G CA 0.788 45.861 45.100 -0.045 0.000 0.767 386 G HN 0.663 nan 8.290 nan 0.000 0.552 387 R N 1.277 121.732 120.500 -0.074 0.000 2.081 387 R HA 0.068 4.408 4.340 -0.000 0.000 0.235 387 R C 2.774 179.062 176.300 -0.020 0.000 1.131 387 R CA 1.870 57.929 56.100 -0.067 0.000 0.960 387 R CB -1.056 29.204 30.300 -0.067 0.000 0.856 387 R HN 0.251 nan 8.270 nan 0.000 0.436 388 A N 0.248 123.072 122.820 0.006 0.000 1.933 388 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 388 A C 2.082 179.684 177.584 0.031 0.000 1.175 388 A CA 1.502 53.554 52.037 0.025 0.000 0.628 388 A CB -0.651 18.371 19.000 0.037 0.000 0.814 388 A HN 0.353 nan 8.150 nan 0.000 0.444 389 L N 0.409 121.644 121.223 0.019 0.000 2.093 389 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 389 L C 2.734 179.620 176.870 0.026 0.000 1.085 389 L CA 2.629 57.484 54.840 0.026 0.000 0.755 389 L CB -0.783 41.285 42.059 0.015 0.000 0.904 389 L HN 0.579 nan 8.230 nan 0.000 0.435 390 T N -3.564 110.990 114.554 0.000 0.000 3.051 390 T HA -0.109 4.241 4.350 -0.000 0.000 0.269 390 T C 1.666 176.365 174.700 -0.002 0.000 1.127 390 T CA 0.967 63.057 62.100 -0.017 0.000 1.107 390 T CB -0.493 68.348 68.868 -0.046 0.000 0.898 390 T HN 0.354 nan 8.240 nan 0.000 0.517 391 L N 0.327 121.569 121.223 0.033 0.000 2.592 391 L HA 0.410 4.750 4.340 -0.000 0.000 0.227 391 L C 1.920 178.898 176.870 0.180 0.000 1.127 391 L CA 0.407 55.288 54.840 0.069 0.000 0.884 391 L CB -0.169 41.914 42.059 0.041 0.000 1.065 391 L HN 0.595 nan 8.230 nan 0.000 0.457 392 G N -0.265 108.635 108.800 0.167 0.000 2.148 392 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.203 392 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.203 392 G C 0.380 175.375 174.900 0.158 0.000 0.993 392 G CA -0.390 44.844 45.100 0.224 0.000 0.661 392 G HN 0.686 nan 8.290 nan 0.000 0.518 393 G N -1.347 107.522 108.800 0.115 0.000 2.196 393 G HA2 0.604 4.564 3.960 -0.000 0.000 0.215 393 G HA3 0.604 4.564 3.960 -0.000 0.000 0.215 393 G C -0.416 174.527 174.900 0.072 0.000 1.640 393 G CA 0.731 45.883 45.100 0.087 0.000 0.946 393 G HN 1.958 nan 8.290 nan 0.000 0.710 394 A N 2.266 125.114 122.820 0.047 0.000 2.444 394 A HA 0.742 5.062 4.320 -0.000 0.000 0.332 394 A C 0.356 177.955 177.584 0.025 0.000 1.430 394 A CA 0.022 52.079 52.037 0.034 0.000 0.975 394 A CB 0.081 19.091 19.000 0.017 0.000 1.147 394 A HN 1.083 nan 8.150 nan 0.000 0.524 395 E N 2.499 122.720 120.200 0.036 0.000 2.191 395 E HA 0.706 5.056 4.350 -0.000 0.000 0.263 395 E C 0.007 176.627 176.600 0.034 0.000 0.881 395 E CA -0.462 55.957 56.400 0.032 0.000 0.757 395 E CB 1.589 31.316 29.700 0.045 0.000 1.147 395 E HN 1.169 nan 8.360 nan 0.000 0.414 396 G N 2.266 111.080 108.800 0.024 0.000 2.357 396 G HA2 0.316 4.276 3.960 -0.000 0.000 0.289 396 G HA3 0.316 4.276 3.960 -0.000 0.000 0.289 396 G C -1.039 173.874 174.900 0.020 0.000 1.302 396 G CA -0.421 44.699 45.100 0.033 0.000 0.936 396 G HN 0.964 nan 8.290 nan 0.000 0.513 397 M N -2.080 117.541 119.600 0.035 0.000 2.694 397 M HA 0.760 5.240 4.480 -0.000 0.000 0.276 397 M C -1.798 174.536 176.300 0.057 0.000 1.167 397 M CA -1.087 54.238 55.300 0.042 0.000 0.849 397 M CB 1.933 34.551 32.600 0.030 0.000 1.705 397 M HN 0.864 nan 8.290 nan 0.000 0.504 398 V N 1.941 121.913 119.914 0.096 0.000 2.495 398 V HA 0.630 4.750 4.120 -0.000 0.000 0.298 398 V C -0.759 175.391 176.094 0.092 0.000 1.031 398 V CA -0.456 61.887 62.300 0.073 0.000 0.871 398 V CB 1.789 33.657 31.823 0.074 0.000 0.988 398 V HN 0.809 nan 8.190 nan 0.000 0.432 399 K N 4.703 125.156 120.400 0.087 0.000 2.413 399 K HA 0.699 5.019 4.320 -0.000 0.000 0.257 399 K C -1.063 175.611 176.600 0.123 0.000 0.946 399 K CA -0.507 55.853 56.287 0.121 0.000 0.823 399 K CB 2.018 34.607 32.500 0.147 0.000 1.109 399 K HN 0.596 nan 8.250 nan 0.000 0.427 400 V N 1.096 121.068 119.914 0.097 0.000 2.547 400 V HA 0.623 4.743 4.120 -0.000 0.000 0.299 400 V C -0.542 175.616 176.094 0.107 0.000 1.040 400 V CA -0.782 61.546 62.300 0.046 0.000 0.913 400 V CB 1.559 33.351 31.823 -0.052 0.000 0.992 400 V HN 0.401 nan 8.190 nan 0.000 0.449 401 V N 4.232 124.197 119.914 0.085 0.000 2.378 401 V HA 0.915 5.035 4.120 -0.000 0.000 0.288 401 V C 0.717 176.825 176.094 0.024 0.000 1.016 401 V CA 0.471 62.842 62.300 0.119 0.000 0.840 401 V CB 0.846 32.769 31.823 0.166 0.000 0.994 401 V HN 1.350 nan 8.190 nan 0.000 0.431 402 G N 2.135 111.004 108.800 0.114 0.000 2.725 402 G HA2 0.489 4.449 3.960 -0.000 0.000 0.288 402 G HA3 0.489 4.449 3.960 -0.000 0.000 0.288 402 G C -1.741 173.266 174.900 0.179 0.000 1.399 402 G CA -0.463 44.640 45.100 0.005 0.000 0.859 402 G HN 0.504 nan 8.290 nan 0.000 0.479 403 D N 0.078 120.534 120.400 0.094 0.000 2.316 403 D HA 0.091 4.731 4.640 -0.000 0.000 0.245 403 D C 1.415 177.882 176.300 0.279 0.000 1.171 403 D CA -0.286 53.818 54.000 0.173 0.000 0.856 403 D CB 1.493 42.376 40.800 0.138 0.000 1.090 403 D HN 0.623 nan 8.370 nan 0.000 0.476 404 E N 2.507 122.864 120.200 0.261 0.000 2.347 404 E HA -0.134 4.216 4.350 -0.000 0.000 0.196 404 E C 0.759 177.466 176.600 0.178 0.000 1.008 404 E CA 0.854 57.391 56.400 0.229 0.000 0.852 404 E CB 0.146 29.880 29.700 0.056 0.000 0.783 404 E HN 0.520 nan 8.360 nan 0.000 0.505 405 E N 0.445 120.738 120.200 0.154 0.000 2.122 405 E HA -0.069 4.281 4.350 -0.000 0.000 0.190 405 E C 1.800 178.472 176.600 0.120 0.000 0.977 405 E CA 1.607 58.079 56.400 0.120 0.000 0.820 405 E CB 0.309 30.071 29.700 0.103 0.000 0.770 405 E HN 0.476 nan 8.360 nan 0.000 0.462 406 T N -2.617 112.018 114.554 0.134 0.000 3.001 406 T HA 0.066 4.416 4.350 -0.000 0.000 0.251 406 T C 0.618 175.381 174.700 0.104 0.000 1.040 406 T CA 0.530 62.694 62.100 0.108 0.000 0.985 406 T CB 0.362 69.293 68.868 0.104 0.000 1.011 406 T HN 0.043 nan 8.240 nan 0.000 0.509 407 D N -0.642 119.846 120.400 0.147 0.000 3.028 407 D HA -0.149 4.491 4.640 -0.000 0.000 0.207 407 D C -0.279 176.013 176.300 -0.014 0.000 1.100 407 D CA 0.474 54.558 54.000 0.141 0.000 0.995 407 D CB -1.754 39.152 40.800 0.176 0.000 1.108 407 D HN 0.527 nan 8.370 nan 0.000 0.421 408 L N 0.631 121.845 121.223 -0.015 0.000 2.416 408 L HA 0.418 4.758 4.340 -0.000 0.000 0.272 408 L C -0.078 176.697 176.870 -0.158 0.000 1.161 408 L CA -0.329 54.466 54.840 -0.074 0.000 0.845 408 L CB 0.654 42.686 42.059 -0.045 0.000 1.119 408 L HN 0.221 nan 8.230 nan 0.000 0.464 409 L N 5.413 126.529 121.223 -0.177 0.000 2.416 409 L HA 0.211 4.551 4.340 -0.000 0.000 0.272 409 L C 0.253 177.015 176.870 -0.179 0.000 1.161 409 L CA 0.696 55.413 54.840 -0.206 0.000 0.845 409 L CB 0.555 42.505 42.059 -0.182 0.000 1.119 409 L HN 0.785 nan 8.230 nan 0.000 0.464 410 L N 4.072 125.192 121.223 -0.173 0.000 2.685 410 L HA 0.535 4.875 4.340 -0.000 0.000 0.235 410 L C 0.776 177.594 176.870 -0.087 0.000 1.070 410 L CA 0.251 54.986 54.840 -0.174 0.000 0.888 410 L CB 0.298 42.203 42.059 -0.256 0.000 1.203 410 L HN 0.780 nan 8.230 nan 0.000 0.499 411 G N -0.302 108.463 108.800 -0.059 0.000 2.632 411 G HA2 0.561 4.521 3.960 -0.000 0.000 0.292 411 G HA3 0.561 4.521 3.960 -0.000 0.000 0.292 411 G C -2.000 172.817 174.900 -0.139 0.000 1.465 411 G CA -0.326 44.737 45.100 -0.061 0.000 0.824 411 G HN -0.284 nan 8.290 nan 0.000 0.509 412 V N 0.395 120.015 119.914 -0.489 0.000 2.808 412 V HA 0.745 4.865 4.120 -0.000 0.000 0.308 412 V C -1.346 174.177 176.094 -0.951 0.000 1.099 412 V CA -0.693 61.348 62.300 -0.432 0.000 0.920 412 V CB 1.748 33.388 31.823 -0.304 0.000 1.014 412 V HN 0.668 nan 8.190 nan 0.000 0.425 413 F N 4.265 124.110 119.950 -0.175 0.000 2.569 413 F HA 0.762 5.289 4.527 -0.000 0.000 0.312 413 F C -0.240 175.374 175.800 -0.310 0.000 1.109 413 F CA -0.575 57.234 58.000 -0.318 0.000 0.919 413 F CB 1.955 40.841 39.000 -0.190 0.000 1.211 413 F HN 0.205 nan 8.300 nan 0.000 0.446 414 I N 3.152 123.498 120.570 -0.372 0.000 2.686 414 I HA 0.617 4.787 4.170 -0.000 0.000 0.295 414 I C -1.431 174.515 176.117 -0.285 0.000 1.114 414 I CA -1.200 59.949 61.300 -0.251 0.000 1.038 414 I CB 2.435 40.302 38.000 -0.221 0.000 1.238 414 I HN 0.341 nan 8.210 nan 0.000 0.420 415 V N 4.951 124.810 119.914 -0.091 0.000 2.524 415 V HA 0.997 5.117 4.120 -0.000 0.000 0.297 415 V C -0.316 175.793 176.094 0.025 0.000 1.035 415 V CA 0.399 62.706 62.300 0.011 0.000 0.867 415 V CB 1.172 33.076 31.823 0.134 0.000 1.004 415 V HN 1.061 nan 8.190 nan 0.000 0.426 416 G N 6.588 115.403 108.800 0.026 0.000 2.337 416 G HA2 0.320 4.280 3.960 -0.000 0.000 0.298 416 G HA3 0.320 4.280 3.960 -0.000 0.000 0.298 416 G C -3.538 171.374 174.900 0.020 0.000 1.335 416 G CA -0.359 44.758 45.100 0.029 0.000 0.875 416 G HN 0.638 nan 8.290 nan 0.000 0.579 417 P HA 0.211 nan 4.420 nan 0.000 0.271 417 P C -0.294 177.009 177.300 0.004 0.000 1.218 417 P CA 0.572 63.685 63.100 0.020 0.000 0.780 417 P CB 1.111 32.825 31.700 0.023 0.000 0.901 418 Q N -0.147 119.655 119.800 0.003 0.000 2.481 418 Q HA -0.269 4.071 4.340 -0.000 0.000 0.258 418 Q C 1.336 177.309 176.000 -0.045 0.000 0.961 418 Q CA 1.327 57.125 55.803 -0.009 0.000 1.121 418 Q CB -2.750 25.988 28.738 -0.001 0.000 1.503 418 Q HN 0.707 nan 8.270 nan 0.000 0.544 419 A N 0.097 122.877 122.820 -0.067 0.000 1.908 419 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 419 A C 2.201 179.692 177.584 -0.155 0.000 1.181 419 A CA 2.189 54.157 52.037 -0.115 0.000 0.627 419 A CB -0.853 18.067 19.000 -0.133 0.000 0.818 419 A HN 0.615 nan 8.150 nan 0.000 0.445 420 G N -0.814 107.878 108.800 -0.180 0.000 2.448 420 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 420 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 420 G C 1.361 176.191 174.900 -0.116 0.000 1.127 420 G CA 0.968 45.945 45.100 -0.205 0.000 0.766 420 G HN 0.532 nan 8.290 nan 0.000 0.552 421 E N 0.355 120.512 120.200 -0.072 0.000 2.122 421 E HA 0.060 4.410 4.350 -0.000 0.000 0.190 421 E C 2.637 179.201 176.600 -0.061 0.000 0.977 421 E CA 0.239 56.612 56.400 -0.045 0.000 0.820 421 E CB -0.206 29.483 29.700 -0.017 0.000 0.770 421 E HN 0.460 nan 8.360 nan 0.000 0.462 422 L N 0.380 121.561 121.223 -0.070 0.000 2.291 422 L HA -0.031 4.309 4.340 -0.000 0.000 0.214 422 L C 2.347 179.158 176.870 -0.099 0.000 1.120 422 L CA 0.152 54.952 54.840 -0.067 0.000 0.799 422 L CB -0.274 41.749 42.059 -0.060 0.000 0.925 422 L HN 0.038 nan 8.230 nan 0.000 0.446 423 I N 0.681 121.168 120.570 -0.137 0.000 2.614 423 I HA -0.171 3.999 4.170 -0.000 0.000 0.258 423 I C 2.497 178.531 176.117 -0.139 0.000 1.189 423 I CA 0.883 62.079 61.300 -0.173 0.000 1.462 423 I CB -0.237 37.632 38.000 -0.220 0.000 1.092 423 I HN 0.126 nan 8.210 nan 0.000 0.442 424 A N -0.445 122.309 122.820 -0.111 0.000 1.930 424 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 424 A C 2.359 179.895 177.584 -0.080 0.000 1.175 424 A CA 1.721 53.701 52.037 -0.094 0.000 0.627 424 A CB -0.665 18.288 19.000 -0.079 0.000 0.815 424 A HN 0.562 nan 8.150 nan 0.000 0.443 425 E N -0.072 120.084 120.200 -0.072 0.000 2.106 425 E HA -0.097 4.253 4.350 -0.000 0.000 0.192 425 E C 2.040 178.600 176.600 -0.067 0.000 0.984 425 E CA 0.910 57.275 56.400 -0.059 0.000 0.806 425 E CB -0.206 29.474 29.700 -0.032 0.000 0.750 425 E HN 0.541 nan 8.360 nan 0.000 0.458 426 A N 1.061 123.826 122.820 -0.092 0.000 1.929 426 A HA 0.017 4.337 4.320 -0.000 0.000 0.216 426 A C 2.345 179.864 177.584 -0.108 0.000 1.176 426 A CA 1.410 53.377 52.037 -0.115 0.000 0.628 426 A CB -0.538 18.359 19.000 -0.171 0.000 0.816 426 A HN 0.392 nan 8.150 nan 0.000 0.444 427 A N -0.261 122.499 122.820 -0.100 0.000 1.877 427 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 427 A C 2.124 179.676 177.584 -0.053 0.000 1.186 427 A CA 1.699 53.692 52.037 -0.074 0.000 0.620 427 A CB -0.649 18.311 19.000 -0.067 0.000 0.822 427 A HN 0.700 nan 8.150 nan 0.000 0.443 428 L N -0.156 121.034 121.223 -0.055 0.000 2.046 428 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 428 L C 2.644 179.488 176.870 -0.043 0.000 1.077 428 L CA 2.215 57.029 54.840 -0.045 0.000 0.747 428 L CB -0.793 41.237 42.059 -0.049 0.000 0.896 428 L HN 0.344 nan 8.230 nan 0.000 0.432 429 A N -0.394 122.394 122.820 -0.054 0.000 1.908 429 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 429 A C 2.272 179.822 177.584 -0.056 0.000 1.181 429 A CA 2.156 54.160 52.037 -0.055 0.000 0.627 429 A CB -0.964 17.997 19.000 -0.066 0.000 0.818 429 A HN 0.520 nan 8.150 nan 0.000 0.445 430 L N -0.778 120.408 121.223 -0.061 0.000 2.056 430 L HA -0.158 4.182 4.340 -0.000 0.000 0.207 430 L C 2.630 179.482 176.870 -0.031 0.000 1.078 430 L CA 1.197 56.004 54.840 -0.055 0.000 0.749 430 L CB -0.561 41.464 42.059 -0.057 0.000 0.901 430 L HN 0.328 nan 8.230 nan 0.000 0.433 431 E N -0.141 120.049 120.200 -0.017 0.000 2.110 431 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 431 E C 1.973 178.569 176.600 -0.007 0.000 0.988 431 E CA 1.059 57.461 56.400 0.002 0.000 0.804 431 E CB -0.087 29.627 29.700 0.023 0.000 0.745 431 E HN 0.386 nan 8.360 nan 0.000 0.458 432 M N -0.596 118.994 119.600 -0.017 0.000 2.563 432 M HA 0.144 4.624 4.480 -0.000 0.000 0.231 432 M C 0.756 177.044 176.300 -0.021 0.000 1.136 432 M CA 0.345 55.635 55.300 -0.018 0.000 1.026 432 M CB -0.606 31.981 32.600 -0.023 0.000 1.597 432 M HN 0.110 nan 8.290 nan 0.000 0.495 433 G N 1.778 110.562 108.800 -0.025 0.000 2.323 433 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.292 433 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.292 433 G C 0.336 175.217 174.900 -0.033 0.000 1.040 433 G CA 0.318 45.402 45.100 -0.027 0.000 0.942 433 G HN 0.790 nan 8.290 nan 0.000 0.506 434 A N -0.057 122.736 122.820 -0.044 0.000 2.386 434 A HA 0.812 5.132 4.320 -0.000 0.000 0.248 434 A C 1.040 178.584 177.584 -0.066 0.000 1.082 434 A CA 0.928 52.935 52.037 -0.049 0.000 0.789 434 A CB 0.441 19.409 19.000 -0.054 0.000 1.025 434 A HN 1.829 nan 8.150 nan 0.000 0.490 435 T N -0.469 114.051 114.554 -0.057 0.000 2.936 435 T HA 0.466 4.816 4.350 -0.000 0.000 0.282 435 T C 1.021 175.655 174.700 -0.110 0.000 1.003 435 T CA -0.863 61.194 62.100 -0.071 0.000 1.005 435 T CB 0.538 69.395 68.868 -0.018 0.000 1.097 435 T HN 0.283 nan 8.240 nan 0.000 0.532 436 L N 0.600 121.705 121.223 -0.197 0.000 2.131 436 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 436 L C 2.799 179.658 176.870 -0.018 0.000 1.092 436 L CA 1.756 56.424 54.840 -0.288 0.000 0.759 436 L CB -1.997 39.567 42.059 -0.825 0.000 0.903 436 L HN 0.871 nan 8.230 nan 0.000 0.435 437 T N -0.674 113.959 114.554 0.132 0.000 2.788 437 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 437 T C 1.493 176.219 174.700 0.044 0.000 1.044 437 T CA 1.215 63.393 62.100 0.130 0.000 1.139 437 T CB -0.074 68.830 68.868 0.060 0.000 0.867 437 T HN 0.313 nan 8.240 nan 0.000 0.454 438 D N 0.984 121.392 120.400 0.013 0.000 2.117 438 D HA -0.050 4.590 4.640 -0.000 0.000 0.197 438 D C 2.076 178.383 176.300 0.012 0.000 0.987 438 D CA 0.691 54.692 54.000 0.002 0.000 0.829 438 D CB -0.374 40.418 40.800 -0.014 0.000 0.961 438 D HN 0.179 nan 8.370 nan 0.000 0.460 439 L N 1.084 122.305 121.223 -0.003 0.000 2.046 439 L HA -0.091 4.248 4.340 -0.000 0.000 0.208 439 L C 2.172 179.075 176.870 0.055 0.000 1.077 439 L CA 1.613 56.464 54.840 0.020 0.000 0.747 439 L CB -0.715 41.317 42.059 -0.044 0.000 0.896 439 L HN -0.050 nan 8.230 nan 0.000 0.432 440 A N -1.126 121.708 122.820 0.023 0.000 1.968 440 A HA -0.076 4.244 4.320 -0.000 0.000 0.217 440 A C 2.176 179.786 177.584 0.044 0.000 1.169 440 A CA 1.420 53.471 52.037 0.024 0.000 0.638 440 A CB -0.650 18.389 19.000 0.065 0.000 0.812 440 A HN 0.455 nan 8.150 nan 0.000 0.446 441 L N -0.059 121.191 121.223 0.045 0.000 2.395 441 L HA -0.008 4.332 4.340 -0.000 0.000 0.218 441 L C 0.402 177.298 176.870 0.044 0.000 1.130 441 L CA 0.229 55.089 54.840 0.033 0.000 0.826 441 L CB -0.589 41.479 42.059 0.016 0.000 0.941 441 L HN 0.177 nan 8.230 nan 0.000 0.451 442 T N 1.013 115.611 114.554 0.073 0.000 2.834 442 T HA 0.120 4.470 4.350 -0.000 0.000 0.298 442 T C 0.268 175.035 174.700 0.112 0.000 0.966 442 T CA -0.166 61.960 62.100 0.043 0.000 1.141 442 T CB 1.604 70.472 68.868 0.000 0.000 0.905 442 T HN -0.202 nan 8.240 nan 0.000 0.535 443 V N 6.063 125.994 119.914 0.029 0.000 2.370 443 V HA 0.108 4.228 4.120 -0.000 0.000 0.257 443 V C 0.247 176.358 176.094 0.027 0.000 1.064 443 V CA -0.441 61.896 62.300 0.062 0.000 0.975 443 V CB -0.845 30.989 31.823 0.018 0.000 1.067 443 V HN 0.785 nan 8.190 nan 0.000 0.485 444 H N 6.179 125.242 119.070 -0.013 0.000 2.582 444 H HA 0.371 4.927 4.556 -0.000 0.000 0.345 444 H C -1.891 173.449 175.328 0.018 0.000 1.104 444 H CA -1.686 54.358 56.048 -0.007 0.000 1.390 444 H CB 0.416 30.166 29.762 -0.019 0.000 1.461 444 H HN 0.455 nan 8.280 nan 0.000 0.551 445 P HA 0.037 nan 4.420 nan 0.000 0.269 445 P C -0.657 176.726 177.300 0.139 0.000 1.215 445 P CA 0.037 63.191 63.100 0.090 0.000 0.780 445 P CB 0.917 32.639 31.700 0.037 0.000 0.898 446 H N 2.060 121.146 119.070 0.028 0.000 2.529 446 H HA 0.519 5.075 4.556 -0.000 0.000 0.348 446 H C -2.264 173.072 175.328 0.014 0.000 1.079 446 H CA -1.635 54.427 56.048 0.024 0.000 1.198 446 H CB 1.157 30.940 29.762 0.034 0.000 1.521 446 H HN 0.291 nan 8.280 nan 0.000 0.514 447 P HA 0.322 nan 4.420 nan 0.000 0.300 447 P C -1.348 175.834 177.300 -0.196 0.000 1.326 447 P CA -0.588 62.166 63.100 -0.576 0.000 0.844 447 P CB 1.830 33.112 31.700 -0.697 0.000 0.992 448 T N -1.163 113.334 114.554 -0.095 0.000 2.868 448 T HA 0.352 4.702 4.350 -0.000 0.000 0.306 448 T C 1.066 175.761 174.700 -0.009 0.000 1.224 448 T CA -0.898 61.182 62.100 -0.033 0.000 1.012 448 T CB 0.859 69.731 68.868 0.007 0.000 1.221 448 T HN 0.111 nan 8.240 nan 0.000 0.499 449 L N 1.429 122.652 121.223 -0.000 0.000 2.141 449 L HA -0.024 4.316 4.340 -0.000 0.000 0.209 449 L C 3.062 179.938 176.870 0.012 0.000 1.094 449 L CA 1.459 56.308 54.840 0.014 0.000 0.763 449 L CB -0.632 41.434 42.059 0.012 0.000 0.908 449 L HN 0.957 nan 8.230 nan 0.000 0.437 450 S N -0.324 115.391 115.700 0.025 0.000 2.419 450 S HA -0.233 4.237 4.470 -0.000 0.000 0.235 450 S C 1.647 176.247 174.600 0.000 0.000 1.019 450 S CA 1.232 59.466 58.200 0.058 0.000 0.982 450 S CB -0.391 62.888 63.200 0.132 0.000 0.789 450 S HN 0.497 nan 8.310 nan 0.000 0.490 451 E N 1.065 121.242 120.200 -0.039 0.000 2.209 451 E HA -0.089 4.260 4.350 -0.000 0.000 0.196 451 E C 2.037 178.427 176.600 -0.350 0.000 0.993 451 E CA 1.125 57.410 56.400 -0.191 0.000 0.819 451 E CB -0.267 29.395 29.700 -0.063 0.000 0.745 451 E HN 0.612 nan 8.360 nan 0.000 0.477 452 S N 0.758 116.325 115.700 -0.221 0.000 2.399 452 S HA -0.111 4.359 4.470 -0.000 0.000 0.231 452 S C 1.831 176.305 174.600 -0.210 0.000 1.022 452 S CA 0.575 58.652 58.200 -0.204 0.000 0.983 452 S CB -0.045 63.218 63.200 0.103 0.000 0.803 452 S HN 0.269 nan 8.310 nan 0.000 0.480 453 L N 0.688 121.786 121.223 -0.209 0.000 2.072 453 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 453 L C 2.458 179.154 176.870 -0.289 0.000 1.079 453 L CA 1.211 55.939 54.840 -0.186 0.000 0.752 453 L CB -0.311 41.677 42.059 -0.118 0.000 0.906 453 L HN 0.418 nan 8.230 nan 0.000 0.436 454 M N -0.385 118.885 119.600 -0.550 0.000 2.086 454 M HA -0.258 4.222 4.480 -0.000 0.000 0.261 454 M C 1.987 178.094 176.300 -0.321 0.000 1.067 454 M CA 1.867 56.851 55.300 -0.527 0.000 1.116 454 M CB -0.138 31.981 32.600 -0.801 0.000 1.348 454 M HN 0.201 nan 8.290 nan 0.000 0.407 455 E N 0.115 120.059 120.200 -0.426 0.000 2.150 455 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 455 E C 1.930 178.421 176.600 -0.182 0.000 0.985 455 E CA 1.136 57.280 56.400 -0.426 0.000 0.814 455 E CB -0.183 28.868 29.700 -1.081 0.000 0.752 455 E HN 0.668 nan 8.360 nan 0.000 0.466 456 A N 1.532 124.280 122.820 -0.121 0.000 1.969 456 A HA -0.006 4.314 4.320 -0.000 0.000 0.218 456 A C 2.377 179.975 177.584 0.023 0.000 1.169 456 A CA 1.415 53.480 52.037 0.047 0.000 0.635 456 A CB -0.316 18.715 19.000 0.051 0.000 0.810 456 A HN 0.266 nan 8.150 nan 0.000 0.445 457 A N -0.175 122.611 122.820 -0.056 0.000 1.929 457 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 457 A C 1.899 179.494 177.584 0.019 0.000 1.176 457 A CA 1.437 53.428 52.037 -0.077 0.000 0.628 457 A CB -0.397 18.540 19.000 -0.105 0.000 0.816 457 A HN 0.606 nan 8.150 nan 0.000 0.444 458 E N -0.184 120.037 120.200 0.035 0.000 2.106 458 E HA -0.072 4.278 4.350 -0.000 0.000 0.192 458 E C 2.286 178.964 176.600 0.130 0.000 0.984 458 E CA 0.812 57.272 56.400 0.099 0.000 0.806 458 E CB -0.243 29.473 29.700 0.027 0.000 0.750 458 E HN 0.610 nan 8.360 nan 0.000 0.458 459 A N 1.111 124.000 122.820 0.115 0.000 1.933 459 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 459 A C 1.957 179.611 177.584 0.117 0.000 1.175 459 A CA 0.982 53.097 52.037 0.129 0.000 0.628 459 A CB -0.769 18.328 19.000 0.163 0.000 0.814 459 A HN 0.364 nan 8.150 nan 0.000 0.444 460 F N 0.623 120.528 119.950 -0.075 0.000 2.154 460 F HA -0.241 4.286 4.527 -0.000 0.000 0.301 460 F C 1.809 177.505 175.800 -0.174 0.000 1.087 460 F CA 2.260 60.162 58.000 -0.163 0.000 1.274 460 F CB -0.347 38.479 39.000 -0.290 0.000 1.009 460 F HN 0.448 nan 8.300 nan 0.000 0.485 461 H N 0.273 119.485 119.070 0.236 0.000 2.517 461 H HA 0.178 4.734 4.556 -0.000 0.000 0.282 461 H C 0.098 175.451 175.328 0.040 0.000 1.023 461 H CA -0.188 55.932 56.048 0.120 0.000 1.169 461 H CB 0.095 29.956 29.762 0.165 0.000 1.454 461 H HN -0.104 nan 8.280 nan 0.000 0.556 462 K N 0.987 121.453 120.400 0.110 0.000 3.071 462 K HA -0.233 4.087 4.320 -0.000 0.000 0.265 462 K C -0.074 176.572 176.600 0.076 0.000 1.060 462 K CA 0.991 57.319 56.287 0.068 0.000 0.767 462 K CB -1.956 30.565 32.500 0.035 0.000 1.241 462 K HN 0.783 nan 8.250 nan 0.000 0.486 463 Q N -1.996 117.861 119.800 0.096 0.000 2.063 463 Q HA 0.473 4.813 4.340 -0.000 0.000 0.245 463 Q C 0.090 176.120 176.000 0.050 0.000 0.828 463 Q CA -0.037 55.805 55.803 0.064 0.000 1.089 463 Q CB 0.866 29.640 28.738 0.061 0.000 1.232 463 Q HN 0.257 nan 8.270 nan 0.000 0.445 464 A N 1.214 124.076 122.820 0.070 0.000 2.498 464 A HA 0.215 4.535 4.320 -0.000 0.000 0.239 464 A C 0.912 178.518 177.584 0.036 0.000 1.068 464 A CA -0.188 51.892 52.037 0.071 0.000 0.766 464 A CB 0.163 19.266 19.000 0.171 0.000 1.003 464 A HN 0.453 nan 8.150 nan 0.000 0.497 465 I N 0.979 121.526 120.570 -0.038 0.000 2.585 465 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 465 I C 1.556 177.598 176.117 -0.125 0.000 1.129 465 I CA 1.517 62.731 61.300 -0.143 0.000 1.455 465 I CB -1.471 36.336 38.000 -0.321 0.000 1.111 465 I HN 0.847 nan 8.210 nan 0.000 0.433 466 H N 0.966 120.134 119.070 0.162 0.000 2.539 466 H HA 0.280 4.836 4.556 -0.000 0.000 0.267 466 H C 0.388 175.832 175.328 0.193 0.000 0.982 466 H CA 0.041 56.218 56.048 0.214 0.000 1.146 466 H CB 0.208 30.167 29.762 0.330 0.000 1.382 466 H HN 0.295 nan 8.280 nan 0.000 0.577 467 I N -2.703 118.023 120.570 0.261 0.000 2.894 467 I HA 0.323 4.492 4.170 -0.000 0.000 0.302 467 I C -0.926 175.248 176.117 0.095 0.000 1.188 467 I CA -1.364 60.016 61.300 0.134 0.000 1.014 467 I CB 2.289 40.338 38.000 0.082 0.000 1.242 467 I HN -0.191 nan 8.210 nan 0.000 0.430 468 L N 3.745 125.001 121.223 0.055 0.000 2.452 468 L HA 0.348 4.688 4.340 -0.000 0.000 0.267 468 L C 0.393 177.289 176.870 0.042 0.000 1.188 468 L CA -0.127 54.737 54.840 0.041 0.000 0.821 468 L CB 0.144 42.218 42.059 0.026 0.000 1.102 468 L HN 0.680 nan 8.230 nan 0.000 0.470 469 N N 0.000 118.722 118.700 0.036 0.000 1.763 469 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 469 N CA 0.000 53.071 53.050 0.035 0.000 0.885 469 N CB 0.000 38.510 38.487 0.039 0.000 1.341 469 N HN 0.000 nan 8.380 nan 0.000 0.667