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 3g6o_1_B DATA FIRST_RESID 6 DATA SEQUENCE PVTLANCEDE PIHVPGAIQP HGALVTLRAD GMVLAASENI QALLGFVASP DATA SEQUENCE GSYLTQEQVG PEVLRMLEEG LTGNGPWSNS VETRIGEHLF DVIGHSYKEV DATA SEQUENCE FYLEFEIRTA DTLSITSFTL NAQRIIAQVQ LHNDTASLLS NVTDELRRMT DATA SEQUENCE GYDRVMAYRF RHDDSGEVVA ESRREDLESY LGLRYPASDI PAQARRLYIQ DATA SEQUENCE NPIRLIADVA YTPMRVFPAL NPETNESFDL SYSVLRSVSP IHCEYLTNMG DATA SEQUENCE VRASMSISIV VGGKLWGLFS CHHMSPKLIP YPVRMSFQIF SQVCSAIVER DATA SEQUENCE LEQGRIAELL RVSTERRLAL ARRARDADDL FGALAHPDDG IAALIPCDGA DATA SEQUENCE LVMLGGRTLS IRXXXERQAG NVLQRLQRDP ERDIYHTDNW XXXXXXXXXX DATA SEQUENCE GDCCGVLAIR FXXXXXGWIF WFRHEEVHXX XXXXXXXXXX XXGPSGPRLT DATA SEQUENCE PRGSFEAWEE VVRGHSTPWS ETDLAIAEKL RLDLMELCL 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.315 177.300 0.026 0.000 1.155 6 P CA 0.000 63.114 63.100 0.023 0.000 0.800 6 P CB 0.000 31.713 31.700 0.021 0.000 0.726 7 V N -0.728 119.203 119.914 0.028 0.000 2.328 7 V HA 0.861 4.978 4.120 -0.006 0.000 0.278 7 V C 0.217 176.334 176.094 0.038 0.000 1.021 7 V CA 0.189 62.510 62.300 0.035 0.000 0.838 7 V CB 0.765 32.612 31.823 0.041 0.000 0.999 7 V HN 0.852 nan 8.190 nan 0.000 0.447 8 T N 2.360 116.937 114.554 0.039 0.000 2.841 8 T HA 0.552 4.899 4.350 -0.006 0.000 0.276 8 T C 0.701 175.431 174.700 0.050 0.000 1.003 8 T CA -0.850 61.274 62.100 0.040 0.000 0.995 8 T CB 1.520 70.408 68.868 0.033 0.000 1.260 8 T HN 0.290 nan 8.240 nan 0.000 0.581 9 L N 0.271 121.524 121.223 0.050 0.000 2.376 9 L HA 0.220 4.556 4.340 -0.006 0.000 0.219 9 L C 2.758 179.661 176.870 0.054 0.000 1.133 9 L CA 1.511 56.387 54.840 0.059 0.000 0.816 9 L CB -2.093 40.000 42.059 0.057 0.000 0.933 9 L HN 0.946 nan 8.230 nan 0.000 0.449 10 A N -0.474 122.373 122.820 0.044 0.000 1.975 10 A HA -0.064 4.253 4.320 -0.006 0.000 0.215 10 A C 1.727 179.336 177.584 0.040 0.000 1.170 10 A CA 0.784 52.844 52.037 0.039 0.000 0.656 10 A CB -0.230 18.789 19.000 0.032 0.000 0.821 10 A HN 0.342 nan 8.150 nan 0.000 0.449 11 N N -0.321 118.404 118.700 0.041 0.000 2.276 11 N HA 0.006 4.743 4.740 -0.006 0.000 0.212 11 N C 1.330 176.867 175.510 0.046 0.000 1.127 11 N CA 0.731 53.804 53.050 0.040 0.000 0.834 11 N CB -0.288 38.220 38.487 0.035 0.000 1.014 11 N HN 0.719 nan 8.380 nan 0.000 0.491 12 C N -0.376 118.958 119.300 0.056 0.000 2.486 12 C HA 0.082 4.538 4.460 -0.006 0.000 0.279 12 C C 2.021 177.046 174.990 0.058 0.000 1.302 12 C CA 0.300 59.358 59.018 0.067 0.000 1.720 12 C CB -0.637 27.156 27.740 0.088 0.000 2.030 12 C HN 0.328 nan 8.230 nan 0.000 0.490 13 E N 1.322 121.554 120.200 0.052 0.000 2.285 13 E HA -0.016 4.331 4.350 -0.006 0.000 0.194 13 E C 1.087 177.706 176.600 0.033 0.000 0.997 13 E CA 1.327 57.753 56.400 0.043 0.000 0.845 13 E CB -0.450 29.276 29.700 0.043 0.000 0.782 13 E HN 0.567 nan 8.360 nan 0.000 0.491 14 D N 0.595 121.016 120.400 0.034 0.000 2.379 14 D HA -0.017 4.620 4.640 -0.006 0.000 0.208 14 D C -0.070 176.250 176.300 0.034 0.000 1.065 14 D CA 0.043 54.062 54.000 0.033 0.000 0.848 14 D CB 0.046 40.864 40.800 0.030 0.000 0.949 14 D HN 0.301 nan 8.370 nan 0.000 0.509 15 E N 2.472 122.691 120.200 0.031 0.000 2.480 15 E HA 0.007 4.353 4.350 -0.006 0.000 0.258 15 E C -2.284 174.327 176.600 0.018 0.000 0.984 15 E CA -1.241 55.173 56.400 0.023 0.000 0.930 15 E CB 0.798 30.516 29.700 0.029 0.000 0.936 15 E HN -0.131 nan 8.360 nan 0.000 0.466 16 P HA 0.135 nan 4.420 nan 0.000 0.262 16 P C 0.119 177.321 177.300 -0.164 0.000 1.620 16 P CA -0.045 62.989 63.100 -0.110 0.000 1.089 16 P CB -0.122 31.439 31.700 -0.232 0.000 1.601 17 I N -0.452 120.103 120.570 -0.026 0.000 3.564 17 I HA -0.007 4.160 4.170 -0.006 0.000 0.294 17 I C 1.426 177.536 176.117 -0.011 0.000 1.289 17 I CA 0.200 61.489 61.300 -0.018 0.000 1.325 17 I CB -0.853 37.150 38.000 0.006 0.000 1.039 17 I HN 0.267 nan 8.210 nan 0.000 0.474 18 H N 0.358 119.408 119.070 -0.034 0.000 2.553 18 H HA 0.272 4.824 4.556 -0.006 0.000 0.265 18 H C 0.797 176.134 175.328 0.014 0.000 0.964 18 H CA 0.294 56.320 56.048 -0.037 0.000 1.156 18 H CB 0.375 30.107 29.762 -0.049 0.000 1.411 18 H HN 0.370 nan 8.280 nan 0.000 0.558 19 V N 2.730 122.485 119.914 -0.265 0.000 2.864 19 V HA 0.152 4.269 4.120 -0.006 0.000 0.378 19 V C -1.847 174.207 176.094 -0.067 0.000 1.346 19 V CA -0.858 61.362 62.300 -0.134 0.000 1.328 19 V CB 1.301 32.997 31.823 -0.212 0.000 1.361 19 V HN 0.119 nan 8.190 nan 0.000 0.641 20 P HA 0.136 nan 4.420 nan 0.000 0.221 20 P C 1.102 178.405 177.300 0.006 0.000 1.150 20 P CA 1.569 64.661 63.100 -0.013 0.000 0.800 20 P CB 0.031 31.733 31.700 0.005 0.000 0.787 21 G N -0.684 108.129 108.800 0.022 0.000 2.256 21 G HA2 0.075 4.031 3.960 -0.006 0.000 0.272 21 G HA3 0.075 4.031 3.960 -0.006 0.000 0.272 21 G C 0.142 175.004 174.900 -0.064 0.000 1.076 21 G CA -0.005 45.100 45.100 0.008 0.000 0.882 21 G HN 0.759 nan 8.290 nan 0.000 0.497 22 A N -1.201 121.590 122.820 -0.049 0.000 2.544 22 A HA 0.939 5.256 4.320 -0.006 0.000 0.291 22 A C -0.418 177.144 177.584 -0.036 0.000 1.055 22 A CA -0.122 51.878 52.037 -0.061 0.000 0.651 22 A CB 0.815 19.801 19.000 -0.023 0.000 1.296 22 A HN 1.905 nan 8.150 nan 0.000 0.431 23 I N -2.805 117.740 120.570 -0.042 0.000 3.354 23 I HA 0.671 4.837 4.170 -0.006 0.000 0.316 23 I C -0.514 175.536 176.117 -0.111 0.000 1.182 23 I CA -1.131 60.124 61.300 -0.075 0.000 0.942 23 I CB 1.605 39.548 38.000 -0.094 0.000 1.299 23 I HN 0.669 nan 8.210 nan 0.000 0.473 24 Q N 1.095 120.749 119.800 -0.244 0.000 2.306 24 Q HA 0.352 4.688 4.340 -0.006 0.000 0.241 24 Q C -2.017 173.821 176.000 -0.270 0.000 0.948 24 Q CA -1.509 54.066 55.803 -0.380 0.000 0.886 24 Q CB 1.061 29.540 28.738 -0.432 0.000 1.227 24 Q HN 0.455 nan 8.270 nan 0.000 0.457 25 P HA -0.054 nan 4.420 nan 0.000 0.255 25 P C 0.073 177.355 177.300 -0.030 0.000 1.248 25 P CA 0.709 63.789 63.100 -0.033 0.000 0.807 25 P CB 0.106 31.851 31.700 0.075 0.000 1.150 26 H N -1.227 117.837 119.070 -0.011 0.000 2.566 26 H HA 0.434 4.987 4.556 -0.006 0.000 0.280 26 H C 0.271 175.619 175.328 0.033 0.000 1.042 26 H CA 0.206 56.253 56.048 -0.002 0.000 1.168 26 H CB -0.161 29.589 29.762 -0.021 0.000 1.340 26 H HN -0.004 nan 8.280 nan 0.000 0.597 27 G N -0.713 108.001 108.800 -0.143 0.000 2.550 27 G HA2 0.543 4.500 3.960 -0.006 0.000 0.293 27 G HA3 0.543 4.500 3.960 -0.006 0.000 0.293 27 G C -1.866 173.042 174.900 0.013 0.000 1.402 27 G CA -0.339 44.760 45.100 -0.001 0.000 0.784 27 G HN 0.518 nan 8.290 nan 0.000 0.482 28 A N -1.013 121.877 122.820 0.117 0.000 2.469 28 A HA 0.880 5.197 4.320 -0.006 0.000 0.299 28 A C -1.623 176.070 177.584 0.182 0.000 1.098 28 A CA -0.645 51.444 52.037 0.086 0.000 0.737 28 A CB 2.068 21.077 19.000 0.015 0.000 1.312 28 A HN 1.789 nan 8.150 nan 0.000 0.414 29 L N 1.308 122.591 121.223 0.101 0.000 2.365 29 L HA 0.809 5.146 4.340 -0.006 0.000 0.273 29 L C -1.327 175.597 176.870 0.091 0.000 1.000 29 L CA -0.418 54.496 54.840 0.123 0.000 0.819 29 L CB 2.129 44.215 42.059 0.045 0.000 1.284 29 L HN 0.478 nan 8.230 nan 0.000 0.418 30 V N 2.778 122.783 119.914 0.151 0.000 2.577 30 V HA 0.654 4.771 4.120 -0.006 0.000 0.303 30 V C -0.064 176.044 176.094 0.025 0.000 1.042 30 V CA -0.302 62.032 62.300 0.056 0.000 0.872 30 V CB 1.973 33.862 31.823 0.110 0.000 0.998 30 V HN 0.907 nan 8.190 nan 0.000 0.423 31 T N 2.842 117.342 114.554 -0.091 0.000 2.925 31 T HA 0.916 5.263 4.350 -0.006 0.000 0.285 31 T C -0.968 173.666 174.700 -0.109 0.000 1.021 31 T CA -0.680 61.326 62.100 -0.156 0.000 1.042 31 T CB 1.713 70.399 68.868 -0.304 0.000 1.037 31 T HN 0.282 nan 8.240 nan 0.000 0.481 32 L N 1.127 122.296 121.223 -0.090 0.000 2.472 32 L HA 0.577 4.914 4.340 -0.006 0.000 0.260 32 L C 0.227 177.088 176.870 -0.014 0.000 0.963 32 L CA -1.066 53.732 54.840 -0.070 0.000 0.829 32 L CB 2.106 44.103 42.059 -0.104 0.000 1.348 32 L HN 0.998 nan 8.230 nan 0.000 0.408 33 R N 1.355 121.833 120.500 -0.037 0.000 2.747 33 R HA 0.648 4.985 4.340 -0.006 0.000 0.278 33 R C 0.757 177.064 176.300 0.013 0.000 1.153 33 R CA 0.214 56.315 56.100 0.003 0.000 1.206 33 R CB 0.323 30.609 30.300 -0.024 0.000 1.161 33 R HN 0.678 nan 8.270 nan 0.000 0.589 34 A N 0.308 123.162 122.820 0.056 0.000 2.248 34 A HA -0.093 4.223 4.320 -0.006 0.000 0.210 34 A C 0.597 178.111 177.584 -0.117 0.000 1.174 34 A CA 1.123 53.200 52.037 0.067 0.000 0.750 34 A CB -0.656 18.419 19.000 0.125 0.000 0.780 34 A HN 0.857 nan 8.150 nan 0.000 0.478 35 D N -3.771 116.562 120.400 -0.113 0.000 2.503 35 D HA 0.292 4.928 4.640 -0.006 0.000 0.218 35 D C 1.059 177.331 176.300 -0.048 0.000 1.183 35 D CA 0.848 54.804 54.000 -0.072 0.000 0.827 35 D CB -0.271 40.544 40.800 0.026 0.000 1.034 35 D HN 0.610 nan 8.370 nan 0.000 0.510 36 G N 1.148 109.836 108.800 -0.186 0.000 2.258 36 G HA2 -0.301 3.656 3.960 -0.006 0.000 0.233 36 G HA3 -0.301 3.656 3.960 -0.006 0.000 0.233 36 G C 0.297 174.998 174.900 -0.331 0.000 1.006 36 G CA 0.087 45.079 45.100 -0.180 0.000 0.620 36 G HN 0.466 nan 8.290 nan 0.000 0.511 37 M N 2.761 122.024 119.600 -0.563 0.000 2.260 37 M HA 0.422 4.899 4.480 -0.006 0.000 0.348 37 M C 0.604 176.655 176.300 -0.415 0.000 1.342 37 M CA 0.005 54.785 55.300 -0.865 0.000 1.040 37 M CB 0.624 32.811 32.600 -0.689 0.000 1.810 37 M HN 0.104 nan 8.290 nan 0.000 0.453 38 V N 7.733 127.428 119.914 -0.364 0.000 2.529 38 V HA -0.071 4.046 4.120 -0.006 0.000 0.292 38 V C 1.103 177.114 176.094 -0.138 0.000 1.028 38 V CA 0.284 62.455 62.300 -0.216 0.000 1.074 38 V CB 0.449 32.142 31.823 -0.216 0.000 0.958 38 V HN 0.970 nan 8.190 nan 0.000 0.481 39 L N 3.558 124.739 121.223 -0.070 0.000 2.388 39 L HA 0.542 4.879 4.340 -0.006 0.000 0.209 39 L C 0.864 177.770 176.870 0.060 0.000 1.061 39 L CA 0.933 55.796 54.840 0.038 0.000 0.834 39 L CB 0.248 42.406 42.059 0.164 0.000 1.029 39 L HN 0.801 nan 8.230 nan 0.000 0.473 40 A N -0.591 122.191 122.820 -0.063 0.000 2.586 40 A HA 0.832 5.149 4.320 -0.006 0.000 0.290 40 A C -1.776 175.705 177.584 -0.172 0.000 1.086 40 A CA 0.094 52.056 52.037 -0.124 0.000 0.665 40 A CB 1.298 20.128 19.000 -0.282 0.000 1.279 40 A HN 0.022 nan 8.150 nan 0.000 0.423 41 A N 0.016 122.755 122.820 -0.135 0.000 2.612 41 A HA 0.819 5.135 4.320 -0.006 0.000 0.293 41 A C 0.006 177.524 177.584 -0.109 0.000 1.075 41 A CA 0.187 52.150 52.037 -0.124 0.000 0.680 41 A CB 0.596 19.520 19.000 -0.126 0.000 1.279 41 A HN 2.303 nan 8.150 nan 0.000 0.411 42 S N 0.072 115.713 115.700 -0.098 0.000 2.576 42 S HA 0.242 4.709 4.470 -0.006 0.000 0.272 42 S C 0.644 175.215 174.600 -0.049 0.000 1.352 42 S CA 0.410 58.551 58.200 -0.099 0.000 1.021 42 S CB 0.429 63.589 63.200 -0.066 0.000 0.887 42 S HN 0.881 nan 8.310 nan 0.000 0.542 43 E N 0.388 120.568 120.200 -0.035 0.000 2.494 43 E HA -0.055 4.292 4.350 -0.006 0.000 0.193 43 E C 0.679 177.309 176.600 0.050 0.000 1.074 43 E CA 0.294 56.736 56.400 0.069 0.000 0.867 43 E CB -0.421 29.369 29.700 0.150 0.000 0.924 43 E HN 0.726 nan 8.360 nan 0.000 0.502 44 N N 1.191 119.900 118.700 0.016 0.000 2.187 44 N HA 0.011 4.747 4.740 -0.006 0.000 0.212 44 N C 1.236 176.750 175.510 0.006 0.000 1.152 44 N CA -0.026 53.038 53.050 0.023 0.000 0.872 44 N CB -0.194 38.308 38.487 0.025 0.000 1.025 44 N HN 0.256 nan 8.380 nan 0.000 0.514 45 I N 0.409 120.964 120.570 -0.024 0.000 2.058 45 I HA -0.269 3.898 4.170 -0.006 0.000 0.235 45 I C 2.689 178.792 176.117 -0.024 0.000 1.053 45 I CA 1.422 62.679 61.300 -0.072 0.000 1.313 45 I CB -1.115 36.808 38.000 -0.130 0.000 1.039 45 I HN 0.079 nan 8.210 nan 0.000 0.396 46 Q N 0.995 120.803 119.800 0.013 0.000 2.047 46 Q HA -0.352 3.985 4.340 -0.006 0.000 0.211 46 Q C 2.323 178.352 176.000 0.048 0.000 1.005 46 Q CA 2.874 58.703 55.803 0.043 0.000 0.866 46 Q CB -0.387 28.382 28.738 0.051 0.000 0.938 46 Q HN 0.656 nan 8.270 nan 0.000 0.414 47 A N 0.310 123.161 122.820 0.051 0.000 1.873 47 A HA -0.231 4.085 4.320 -0.006 0.000 0.218 47 A C 2.001 179.646 177.584 0.101 0.000 1.193 47 A CA 1.747 53.826 52.037 0.069 0.000 0.629 47 A CB -0.907 18.131 19.000 0.064 0.000 0.826 47 A HN 0.468 nan 8.150 nan 0.000 0.447 48 L N -1.396 119.884 121.223 0.096 0.000 2.072 48 L HA 0.010 4.347 4.340 -0.006 0.000 0.205 48 L C 2.081 179.075 176.870 0.208 0.000 1.079 48 L CA 1.707 56.647 54.840 0.166 0.000 0.752 48 L CB -0.091 42.046 42.059 0.130 0.000 0.906 48 L HN 0.425 nan 8.230 nan 0.000 0.436 49 L N -2.786 118.472 121.223 0.058 0.000 2.766 49 L HA 0.419 4.755 4.340 -0.006 0.000 0.241 49 L C 1.188 178.060 176.870 0.004 0.000 1.080 49 L CA 0.438 55.263 54.840 -0.025 0.000 0.909 49 L CB 0.110 42.008 42.059 -0.268 0.000 1.277 49 L HN 0.212 nan 8.230 nan 0.000 0.510 50 G N 0.808 109.626 108.800 0.030 0.000 2.204 50 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.244 50 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.244 50 G C -0.230 174.694 174.900 0.041 0.000 1.062 50 G CA -0.037 45.079 45.100 0.027 0.000 0.798 50 G HN 0.208 nan 8.290 nan 0.000 0.496 51 F N -0.705 119.196 119.950 -0.082 0.000 2.618 51 F HA 0.654 5.177 4.527 -0.006 0.000 0.332 51 F C 0.196 175.962 175.800 -0.057 0.000 1.061 51 F CA -1.412 56.542 58.000 -0.077 0.000 0.974 51 F CB 2.066 40.995 39.000 -0.118 0.000 1.310 51 F HN -0.032 nan 8.300 nan 0.000 0.491 52 V N 3.491 123.759 119.914 0.591 0.000 2.361 52 V HA 0.315 4.432 4.120 -0.006 0.000 0.252 52 V C 0.008 176.107 176.094 0.008 0.000 0.986 52 V CA -0.800 61.618 62.300 0.197 0.000 1.033 52 V CB 0.338 32.248 31.823 0.146 0.000 1.282 52 V HN 0.815 nan 8.190 nan 0.000 0.514 53 A N 2.786 125.388 122.820 -0.363 0.000 2.558 53 A HA 0.355 4.672 4.320 -0.006 0.000 0.262 53 A C 0.782 178.224 177.584 -0.237 0.000 1.049 53 A CA 0.788 52.476 52.037 -0.581 0.000 0.804 53 A CB -0.261 18.416 19.000 -0.538 0.000 0.957 53 A HN 0.954 nan 8.150 nan 0.000 0.520 54 S N 3.213 118.811 115.700 -0.170 0.000 2.502 54 S HA 0.670 5.136 4.470 -0.006 0.000 0.304 54 S C -2.964 171.594 174.600 -0.069 0.000 1.097 54 S CA -1.825 56.335 58.200 -0.067 0.000 1.045 54 S CB 1.570 64.767 63.200 -0.005 0.000 1.019 54 S HN 0.432 nan 8.310 nan 0.000 0.481 55 P HA 0.194 nan 4.420 nan 0.000 0.261 55 P C 1.235 178.507 177.300 -0.047 0.000 1.165 55 P CA 1.693 64.767 63.100 -0.044 0.000 0.759 55 P CB 0.001 31.700 31.700 -0.001 0.000 0.772 56 G N 1.771 110.518 108.800 -0.088 0.000 2.345 56 G HA2 -0.258 3.699 3.960 -0.006 0.000 0.218 56 G HA3 -0.258 3.699 3.960 -0.006 0.000 0.218 56 G C 0.597 175.446 174.900 -0.085 0.000 1.058 56 G CA 0.210 45.269 45.100 -0.069 0.000 0.632 56 G HN 0.824 nan 8.290 nan 0.000 0.508 57 S N -0.012 115.648 115.700 -0.067 0.000 2.576 57 S HA 0.557 5.023 4.470 -0.006 0.000 0.272 57 S C -0.029 174.504 174.600 -0.112 0.000 1.352 57 S CA 0.100 58.307 58.200 0.012 0.000 1.021 57 S CB 0.349 63.560 63.200 0.019 0.000 0.887 57 S HN 0.516 nan 8.310 nan 0.000 0.542 58 Y N 1.644 121.959 120.300 0.026 0.000 2.429 58 Y HA 0.449 4.995 4.550 -0.005 0.000 0.342 58 Y C 0.164 176.110 175.900 0.077 0.000 1.004 58 Y CA -1.493 56.615 58.100 0.013 0.000 1.075 58 Y CB 1.038 39.498 38.460 -0.001 0.000 1.214 58 Y HN 0.398 nan 8.280 nan 0.000 0.455 59 L N 2.478 123.813 121.223 0.188 0.000 2.461 59 L HA 0.240 4.576 4.340 -0.006 0.000 0.272 59 L C 0.510 177.519 176.870 0.233 0.000 1.197 59 L CA 0.170 55.163 54.840 0.255 0.000 0.836 59 L CB 0.017 42.180 42.059 0.174 0.000 1.105 59 L HN 0.812 nan 8.230 nan 0.000 0.477 60 T N -1.612 113.083 114.554 0.235 0.000 2.906 60 T HA 0.321 4.668 4.350 -0.006 0.000 0.295 60 T C 0.683 175.417 174.700 0.057 0.000 1.061 60 T CA -0.771 61.391 62.100 0.103 0.000 1.000 60 T CB 1.883 70.781 68.868 0.051 0.000 1.103 60 T HN 0.533 nan 8.240 nan 0.000 0.486 61 Q N 0.321 120.139 119.800 0.031 0.000 2.197 61 Q HA -0.229 4.108 4.340 -0.006 0.000 0.211 61 Q C 1.408 177.405 176.000 -0.006 0.000 0.993 61 Q CA 2.177 57.992 55.803 0.020 0.000 0.883 61 Q CB -0.214 28.529 28.738 0.009 0.000 0.916 61 Q HN 0.762 nan 8.270 nan 0.000 0.418 62 E N -0.142 120.032 120.200 -0.044 0.000 2.472 62 E HA -0.151 4.195 4.350 -0.006 0.000 0.200 62 E C 1.098 177.616 176.600 -0.137 0.000 1.046 62 E CA 0.780 57.129 56.400 -0.084 0.000 0.871 62 E CB 0.221 29.859 29.700 -0.102 0.000 0.806 62 E HN 0.360 nan 8.360 nan 0.000 0.533 63 Q N -1.908 117.809 119.800 -0.139 0.000 2.288 63 Q HA 0.222 4.559 4.340 -0.006 0.000 0.256 63 Q C 1.269 177.273 176.000 0.007 0.000 0.835 63 Q CA 0.102 55.802 55.803 -0.172 0.000 0.958 63 Q CB 1.013 29.418 28.738 -0.554 0.000 1.125 63 Q HN 0.083 nan 8.270 nan 0.000 0.513 64 V N -0.513 119.442 119.914 0.069 0.000 3.502 64 V HA 0.488 4.605 4.120 -0.006 0.000 0.288 64 V C 0.273 176.431 176.094 0.107 0.000 1.461 64 V CA 0.772 63.144 62.300 0.120 0.000 1.029 64 V CB 0.851 32.796 31.823 0.203 0.000 0.843 64 V HN 0.440 nan 8.190 nan 0.000 0.438 65 G N 1.127 109.969 108.800 0.070 0.000 2.733 65 G HA2 -0.124 3.833 3.960 -0.006 0.000 0.686 65 G HA3 -0.124 3.833 3.960 -0.006 0.000 0.686 65 G C -1.994 172.944 174.900 0.064 0.000 1.373 65 G CA -0.172 44.967 45.100 0.064 0.000 0.838 65 G HN 0.202 nan 8.290 nan 0.000 0.588 66 P HA 0.074 nan 4.420 nan 0.000 0.222 66 P C 1.483 178.813 177.300 0.050 0.000 1.153 66 P CA 1.468 64.593 63.100 0.042 0.000 0.798 66 P CB 0.151 31.870 31.700 0.030 0.000 0.796 67 E N -0.271 119.964 120.200 0.058 0.000 2.058 67 E HA -0.123 4.224 4.350 -0.006 0.000 0.194 67 E C 1.981 178.624 176.600 0.071 0.000 0.997 67 E CA 1.111 57.548 56.400 0.061 0.000 0.801 67 E CB -0.825 28.914 29.700 0.065 0.000 0.746 67 E HN -0.003 nan 8.360 nan 0.000 0.450 68 V N 1.819 121.784 119.914 0.086 0.000 2.214 68 V HA -0.296 3.821 4.120 -0.006 0.000 0.245 68 V C 2.402 178.547 176.094 0.084 0.000 1.047 68 V CA 1.761 64.119 62.300 0.096 0.000 0.998 68 V CB -0.619 31.286 31.823 0.137 0.000 0.633 68 V HN 0.301 nan 8.190 nan 0.000 0.446 69 L N -0.271 120.995 121.223 0.072 0.000 2.089 69 L HA -0.307 4.030 4.340 -0.006 0.000 0.213 69 L C 2.712 179.594 176.870 0.020 0.000 1.079 69 L CA 2.379 57.243 54.840 0.041 0.000 0.758 69 L CB -0.778 41.305 42.059 0.039 0.000 0.891 69 L HN 0.385 nan 8.230 nan 0.000 0.433 70 R N 0.372 120.893 120.500 0.035 0.000 2.073 70 R HA -0.214 4.122 4.340 -0.006 0.000 0.234 70 R C 2.412 178.742 176.300 0.049 0.000 1.134 70 R CA 1.714 57.833 56.100 0.031 0.000 0.952 70 R CB -0.237 30.085 30.300 0.038 0.000 0.850 70 R HN 0.272 nan 8.270 nan 0.000 0.433 71 M N 0.563 120.217 119.600 0.089 0.000 2.126 71 M HA -0.213 4.263 4.480 -0.006 0.000 0.259 71 M C 2.103 178.492 176.300 0.148 0.000 1.073 71 M CA 1.926 57.329 55.300 0.172 0.000 1.103 71 M CB -0.421 32.304 32.600 0.210 0.000 1.284 71 M HN 0.319 nan 8.290 nan 0.000 0.420 72 L N 1.139 122.406 121.223 0.074 0.000 2.103 72 L HA -0.266 4.070 4.340 -0.006 0.000 0.215 72 L C 2.238 178.910 176.870 -0.329 0.000 1.080 72 L CA 2.045 56.783 54.840 -0.170 0.000 0.764 72 L CB -0.879 41.104 42.059 -0.127 0.000 0.890 72 L HN 0.459 nan 8.230 nan 0.000 0.435 73 E N 0.027 120.125 120.200 -0.171 0.000 2.047 73 E HA -0.260 4.087 4.350 -0.006 0.000 0.191 73 E C 2.005 178.503 176.600 -0.171 0.000 0.987 73 E CA 1.493 57.788 56.400 -0.175 0.000 0.799 73 E CB -0.206 29.441 29.700 -0.089 0.000 0.752 73 E HN 0.859 nan 8.360 nan 0.000 0.449 74 E N 0.142 120.295 120.200 -0.079 0.000 2.333 74 E HA -0.111 4.236 4.350 -0.006 0.000 0.198 74 E C 1.927 178.474 176.600 -0.088 0.000 1.007 74 E CA 1.196 57.586 56.400 -0.017 0.000 0.845 74 E CB -0.240 29.515 29.700 0.092 0.000 0.766 74 E HN 0.147 nan 8.360 nan 0.000 0.507 75 G N 1.200 109.771 108.800 -0.382 0.000 2.417 75 G HA2 -0.123 3.833 3.960 -0.006 0.000 0.212 75 G HA3 -0.123 3.833 3.960 -0.006 0.000 0.212 75 G C 1.445 176.043 174.900 -0.503 0.000 1.187 75 G CA 0.418 44.972 45.100 -0.909 0.000 0.804 75 G HN 0.115 nan 8.290 nan 0.000 0.534 76 L N 1.809 122.633 121.223 -0.665 0.000 2.042 76 L HA -0.033 4.303 4.340 -0.006 0.000 0.210 76 L C 2.908 179.647 176.870 -0.219 0.000 1.076 76 L CA 2.162 56.671 54.840 -0.553 0.000 0.749 76 L CB -1.206 40.543 42.059 -0.517 0.000 0.893 76 L HN 0.443 nan 8.230 nan 0.000 0.432 77 T N -3.539 110.917 114.554 -0.163 0.000 3.188 77 T HA 0.358 4.705 4.350 -0.006 0.000 0.250 77 T C 0.880 175.566 174.700 -0.023 0.000 1.077 77 T CA 0.088 62.143 62.100 -0.074 0.000 0.967 77 T CB -0.492 68.338 68.868 -0.064 0.000 1.006 77 T HN 0.212 nan 8.240 nan 0.000 0.552 78 G N 0.542 109.338 108.800 -0.006 0.000 2.557 78 G HA2 0.431 4.388 3.960 -0.006 0.000 0.292 78 G HA3 0.431 4.388 3.960 -0.006 0.000 0.292 78 G C 0.325 175.269 174.900 0.073 0.000 1.237 78 G CA -0.684 44.452 45.100 0.060 0.000 0.978 78 G HN 0.170 nan 8.290 nan 0.000 0.498 79 N N -0.636 118.115 118.700 0.084 0.000 2.591 79 N HA 0.103 4.839 4.740 -0.006 0.000 0.200 79 N C 1.345 176.904 175.510 0.081 0.000 1.040 79 N CA 0.674 53.766 53.050 0.070 0.000 0.911 79 N CB 0.091 38.608 38.487 0.051 0.000 1.259 79 N HN 0.557 nan 8.380 nan 0.000 0.438 80 G N 1.192 110.048 108.800 0.093 0.000 2.532 80 G HA2 0.427 4.384 3.960 -0.006 0.000 0.291 80 G HA3 0.427 4.384 3.960 -0.006 0.000 0.291 80 G C -2.369 172.597 174.900 0.109 0.000 1.349 80 G CA -0.706 44.444 45.100 0.084 0.000 1.038 80 G HN -0.028 nan 8.290 nan 0.000 0.518 81 P HA 0.001 nan 4.420 nan 0.000 0.256 81 P C -1.002 176.390 177.300 0.154 0.000 1.173 81 P CA 0.209 63.356 63.100 0.078 0.000 0.768 81 P CB 0.267 31.977 31.700 0.017 0.000 0.758 82 W N 4.585 125.872 121.300 -0.022 0.000 2.351 82 W HA 0.499 5.155 4.660 -0.006 0.000 0.311 82 W C -0.512 176.039 176.519 0.053 0.000 1.168 82 W CA -0.014 57.352 57.345 0.034 0.000 1.200 82 W CB 1.020 30.531 29.460 0.085 0.000 1.221 82 W HN 0.215 nan 8.180 nan 0.000 0.519 83 S N 5.658 121.087 115.700 -0.452 0.000 2.548 83 S HA 0.632 5.098 4.470 -0.006 0.000 0.276 83 S C -1.356 172.861 174.600 -0.639 0.000 1.129 83 S CA -0.514 57.347 58.200 -0.565 0.000 0.931 83 S CB 0.876 63.938 63.200 -0.231 0.000 1.068 83 S HN 0.645 nan 8.310 nan 0.000 0.480 84 N N 0.646 118.934 118.700 -0.687 0.000 3.836 84 N HA 0.515 5.252 4.740 -0.006 0.000 0.229 84 N C -1.943 173.377 175.510 -0.318 0.000 1.375 84 N CA 0.266 53.085 53.050 -0.385 0.000 0.838 84 N CB 1.387 39.719 38.487 -0.257 0.000 1.447 84 N HN 0.841 nan 8.380 nan 0.000 0.458 85 S N -0.798 114.806 115.700 -0.159 0.000 2.615 85 S HA 0.791 5.257 4.470 -0.006 0.000 0.268 85 S C -1.975 172.583 174.600 -0.070 0.000 1.146 85 S CA -0.558 57.538 58.200 -0.172 0.000 0.818 85 S CB 1.332 64.338 63.200 -0.325 0.000 1.111 85 S HN 0.550 nan 8.310 nan 0.000 0.465 86 V N 0.544 120.418 119.914 -0.066 0.000 3.077 86 V HA 0.521 4.637 4.120 -0.006 0.000 0.299 86 V C -1.262 174.841 176.094 0.015 0.000 1.276 86 V CA -0.467 61.830 62.300 -0.005 0.000 0.993 86 V CB 2.127 33.966 31.823 0.026 0.000 1.076 86 V HN 1.054 nan 8.190 nan 0.000 0.434 87 E N 2.197 122.421 120.200 0.041 0.000 2.206 87 E HA 0.341 4.688 4.350 -0.006 0.000 0.244 87 E C -0.148 176.511 176.600 0.099 0.000 1.055 87 E CA -0.027 56.415 56.400 0.070 0.000 0.970 87 E CB 0.785 30.518 29.700 0.054 0.000 1.256 87 E HN 0.713 nan 8.360 nan 0.000 0.456 88 T N 1.517 116.154 114.554 0.138 0.000 2.874 88 T HA 0.263 4.609 4.350 -0.006 0.000 0.281 88 T C -0.230 174.601 174.700 0.220 0.000 0.994 88 T CA -0.548 61.645 62.100 0.155 0.000 1.015 88 T CB 0.790 69.749 68.868 0.152 0.000 1.028 88 T HN 0.348 nan 8.240 nan 0.000 0.523 89 R N 3.286 123.898 120.500 0.188 0.000 2.393 89 R HA 0.604 4.941 4.340 -0.006 0.000 0.310 89 R C -0.563 175.877 176.300 0.234 0.000 0.968 89 R CA -0.565 55.670 56.100 0.226 0.000 0.867 89 R CB 0.549 30.930 30.300 0.134 0.000 1.124 89 R HN 0.626 nan 8.270 nan 0.000 0.450 90 I N 1.912 122.696 120.570 0.356 0.000 3.474 90 I HA 0.279 4.445 4.170 -0.006 0.000 0.294 90 I C 1.757 177.985 176.117 0.184 0.000 1.185 90 I CA -0.680 60.747 61.300 0.212 0.000 1.003 90 I CB 1.477 39.520 38.000 0.071 0.000 1.327 90 I HN 0.850 nan 8.210 nan 0.000 0.541 91 G N 0.237 109.094 108.800 0.095 0.000 2.599 91 G HA2 -0.218 3.738 3.960 -0.006 0.000 0.219 91 G HA3 -0.218 3.738 3.960 -0.006 0.000 0.219 91 G C 1.223 176.115 174.900 -0.013 0.000 1.193 91 G CA 1.023 46.143 45.100 0.033 0.000 0.778 91 G HN 0.674 nan 8.290 nan 0.000 0.589 92 E N -0.570 119.593 120.200 -0.061 0.000 2.166 92 E HA 0.070 4.417 4.350 -0.006 0.000 0.192 92 E C 0.397 176.663 176.600 -0.557 0.000 0.967 92 E CA 0.462 56.626 56.400 -0.393 0.000 0.840 92 E CB 0.199 29.509 29.700 -0.649 0.000 0.795 92 E HN 0.556 nan 8.360 nan 0.000 0.470 93 H N -0.931 118.215 119.070 0.127 0.000 2.894 93 H HA 0.338 4.890 4.556 -0.005 0.000 0.368 93 H C -0.586 174.691 175.328 -0.085 0.000 1.181 93 H CA -0.856 55.138 56.048 -0.091 0.000 1.146 93 H CB 1.534 31.069 29.762 -0.377 0.000 1.839 93 H HN -0.038 nan 8.280 nan 0.000 0.557 94 L N 1.112 122.301 121.223 -0.057 0.000 2.375 94 L HA 0.367 4.703 4.340 -0.006 0.000 0.271 94 L C -1.223 175.534 176.870 -0.190 0.000 1.107 94 L CA -0.191 54.649 54.840 0.001 0.000 0.806 94 L CB 0.234 42.303 42.059 0.016 0.000 1.146 94 L HN 0.330 nan 8.230 nan 0.000 0.447 95 F N 1.618 121.636 119.950 0.114 0.000 2.576 95 F HA 0.336 4.860 4.527 -0.006 0.000 0.313 95 F C -0.365 175.475 175.800 0.067 0.000 1.078 95 F CA -0.806 57.265 58.000 0.119 0.000 0.921 95 F CB 1.753 40.868 39.000 0.192 0.000 1.232 95 F HN 0.337 nan 8.300 nan 0.000 0.459 96 D N 2.442 122.983 120.400 0.234 0.000 2.396 96 D HA 0.297 4.934 4.640 -0.006 0.000 0.225 96 D C -0.823 175.483 176.300 0.010 0.000 1.121 96 D CA 0.167 54.216 54.000 0.082 0.000 0.853 96 D CB 1.740 42.562 40.800 0.038 0.000 1.043 96 D HN 0.084 nan 8.370 nan 0.000 0.500 97 V N 5.613 125.474 119.914 -0.089 0.000 2.304 97 V HA 0.221 4.337 4.120 -0.006 0.000 0.269 97 V C 0.526 176.410 176.094 -0.351 0.000 1.036 97 V CA -0.700 61.425 62.300 -0.291 0.000 0.840 97 V CB 0.700 32.338 31.823 -0.309 0.000 1.036 97 V HN 0.373 nan 8.190 nan 0.000 0.466 98 I N 2.691 123.022 120.570 -0.397 0.000 2.336 98 I HA 0.920 5.087 4.170 -0.006 0.000 0.292 98 I C 0.215 176.190 176.117 -0.237 0.000 0.991 98 I CA -0.092 60.957 61.300 -0.419 0.000 1.227 98 I CB 1.577 39.243 38.000 -0.555 0.000 1.366 98 I HN 0.559 nan 8.210 nan 0.000 0.466 99 G N 6.281 114.915 108.800 -0.276 0.000 2.519 99 G HA2 0.724 4.680 3.960 -0.006 0.000 0.307 99 G HA3 0.724 4.680 3.960 -0.006 0.000 0.307 99 G C -1.183 173.418 174.900 -0.499 0.000 1.266 99 G CA -0.433 44.536 45.100 -0.218 0.000 0.970 99 G HN 1.030 nan 8.290 nan 0.000 0.481 100 H N -1.569 117.411 119.070 -0.151 0.000 3.014 100 H HA 0.717 5.270 4.556 -0.006 0.000 0.337 100 H C -1.200 174.355 175.328 0.378 0.000 1.320 100 H CA -0.613 55.395 56.048 -0.067 0.000 1.128 100 H CB 1.304 31.035 29.762 -0.053 0.000 1.862 100 H HN 0.749 nan 8.280 nan 0.000 0.536 101 S N 1.070 116.895 115.700 0.208 0.000 2.454 101 S HA 0.574 5.041 4.470 -0.006 0.000 0.306 101 S C -1.357 173.356 174.600 0.187 0.000 1.100 101 S CA -0.596 57.500 58.200 -0.173 0.000 1.087 101 S CB 1.505 64.313 63.200 -0.654 0.000 1.019 101 S HN 0.601 nan 8.310 nan 0.000 0.480 102 Y N 2.779 123.163 120.300 0.139 0.000 2.504 102 Y HA 0.438 4.985 4.550 -0.006 0.000 0.344 102 Y C 0.300 176.324 175.900 0.208 0.000 1.023 102 Y CA -0.720 57.529 58.100 0.249 0.000 1.020 102 Y CB 0.978 39.712 38.460 0.457 0.000 1.282 102 Y HN 0.962 nan 8.280 nan 0.000 0.454 103 K N 2.092 122.128 120.400 -0.606 0.000 1.721 103 K HA -0.305 4.011 4.320 -0.006 0.000 0.121 103 K C -0.621 175.880 176.600 -0.165 0.000 1.152 103 K CA 1.959 58.014 56.287 -0.386 0.000 0.360 103 K CB -0.869 31.442 32.500 -0.314 0.000 0.626 103 K HN 0.938 nan 8.250 nan 0.000 0.878 104 E N 1.091 121.223 120.200 -0.112 0.000 3.659 104 E HA 0.416 4.763 4.350 -0.006 0.000 0.217 104 E C -1.062 175.505 176.600 -0.055 0.000 1.141 104 E CA -0.291 56.066 56.400 -0.072 0.000 1.340 104 E CB 0.881 30.554 29.700 -0.045 0.000 1.295 104 E HN 0.179 nan 8.360 nan 0.000 0.434 105 V N 0.786 120.619 119.914 -0.134 0.000 3.012 105 V HA 0.403 4.520 4.120 -0.006 0.000 0.307 105 V C -1.240 174.602 176.094 -0.419 0.000 1.166 105 V CA -0.897 61.282 62.300 -0.202 0.000 0.974 105 V CB 1.890 33.535 31.823 -0.297 0.000 1.040 105 V HN 0.243 nan 8.190 nan 0.000 0.428 106 F N 2.906 122.627 119.950 -0.382 0.000 2.402 106 F HA 0.652 5.175 4.527 -0.006 0.000 0.355 106 F C -0.423 175.164 175.800 -0.355 0.000 1.123 106 F CA -0.598 57.253 58.000 -0.249 0.000 1.021 106 F CB 1.298 40.183 39.000 -0.192 0.000 1.160 106 F HN 0.354 nan 8.300 nan 0.000 0.451 107 Y N 4.009 124.305 120.300 -0.007 0.000 2.320 107 Y HA 0.518 5.064 4.550 -0.005 0.000 0.334 107 Y C -0.157 175.778 175.900 0.058 0.000 1.055 107 Y CA -0.762 57.297 58.100 -0.067 0.000 1.143 107 Y CB 1.073 39.356 38.460 -0.294 0.000 1.193 107 Y HN 0.336 nan 8.280 nan 0.000 0.477 108 L N 4.772 126.102 121.223 0.177 0.000 2.324 108 L HA 0.389 4.726 4.340 -0.006 0.000 0.274 108 L C -0.768 176.044 176.870 -0.097 0.000 1.012 108 L CA -0.419 54.433 54.840 0.019 0.000 0.859 108 L CB 1.040 43.105 42.059 0.011 0.000 1.224 108 L HN 0.698 nan 8.230 nan 0.000 0.429 109 E N 4.017 124.119 120.200 -0.163 0.000 2.156 109 E HA 0.373 4.720 4.350 -0.006 0.000 0.279 109 E C -1.343 175.096 176.600 -0.269 0.000 0.965 109 E CA -0.558 55.791 56.400 -0.085 0.000 0.789 109 E CB 1.531 31.234 29.700 0.004 0.000 1.098 109 E HN 0.231 nan 8.360 nan 0.000 0.397 110 F N 1.944 121.900 119.950 0.010 0.000 2.361 110 F HA 0.243 4.767 4.527 -0.006 0.000 0.364 110 F C 0.488 176.397 175.800 0.182 0.000 1.117 110 F CA -0.685 57.346 58.000 0.051 0.000 1.071 110 F CB 1.127 40.051 39.000 -0.125 0.000 1.188 110 F HN 0.399 nan 8.300 nan 0.000 0.464 111 E N 4.065 124.476 120.200 0.351 0.000 2.176 111 E HA 0.401 4.747 4.350 -0.006 0.000 0.267 111 E C -0.621 176.139 176.600 0.266 0.000 0.893 111 E CA -0.803 55.764 56.400 0.278 0.000 0.761 111 E CB 1.118 30.925 29.700 0.180 0.000 1.133 111 E HN 0.394 nan 8.360 nan 0.000 0.409 112 I N 4.059 124.700 120.570 0.118 0.000 2.662 112 I HA 0.044 4.210 4.170 -0.006 0.000 0.285 112 I C 0.699 176.737 176.117 -0.131 0.000 1.161 112 I CA 0.363 61.538 61.300 -0.209 0.000 1.415 112 I CB 0.022 37.855 38.000 -0.279 0.000 1.385 112 I HN 0.558 nan 8.210 nan 0.000 0.552 113 R N 4.684 125.076 120.500 -0.181 0.000 2.308 113 R HA 0.323 4.660 4.340 -0.006 0.000 0.305 113 R C -0.231 176.014 176.300 -0.092 0.000 1.053 113 R CA 0.046 56.100 56.100 -0.077 0.000 0.957 113 R CB 0.673 30.956 30.300 -0.029 0.000 1.022 113 R HN 0.682 nan 8.270 nan 0.000 0.461 114 T N 2.947 117.469 114.554 -0.053 0.000 3.633 114 T HA 0.451 4.797 4.350 -0.006 0.000 0.278 114 T C -0.863 173.820 174.700 -0.028 0.000 0.991 114 T CA -0.055 62.017 62.100 -0.048 0.000 1.036 114 T CB 0.835 69.670 68.868 -0.056 0.000 1.148 114 T HN 0.691 nan 8.240 nan 0.000 0.501 115 A N 0.710 123.520 122.820 -0.017 0.000 2.566 115 A HA 0.815 5.132 4.320 -0.006 0.000 0.291 115 A C -1.510 176.073 177.584 -0.002 0.000 1.278 115 A CA -0.738 51.293 52.037 -0.009 0.000 0.711 115 A CB 0.925 19.922 19.000 -0.005 0.000 1.332 115 A HN 0.287 nan 8.150 nan 0.000 0.478 116 D N -0.711 119.690 120.400 0.002 0.000 2.388 116 D HA 0.531 5.167 4.640 -0.006 0.000 0.254 116 D C 0.032 176.339 176.300 0.011 0.000 1.111 116 D CA 0.196 54.200 54.000 0.006 0.000 0.993 116 D CB 0.994 41.798 40.800 0.006 0.000 1.118 116 D HN 0.416 nan 8.370 nan 0.000 0.502 117 T N 1.496 116.059 114.554 0.014 0.000 2.930 117 T HA 0.155 4.502 4.350 -0.006 0.000 0.306 117 T C -0.014 174.698 174.700 0.019 0.000 1.045 117 T CA -0.331 61.780 62.100 0.017 0.000 1.134 117 T CB 0.312 69.189 68.868 0.016 0.000 0.961 117 T HN 0.255 nan 8.240 nan 0.000 0.545 118 L N 4.137 125.375 121.223 0.025 0.000 2.315 118 L HA 0.256 4.593 4.340 -0.006 0.000 0.283 118 L C 0.390 177.280 176.870 0.035 0.000 1.089 118 L CA 0.137 55.000 54.840 0.038 0.000 0.833 118 L CB 0.194 42.292 42.059 0.065 0.000 1.170 118 L HN 0.703 nan 8.230 nan 0.000 0.442 119 S N 5.236 120.957 115.700 0.036 0.000 2.563 119 S HA 0.069 4.535 4.470 -0.006 0.000 0.284 119 S C 1.723 176.354 174.600 0.052 0.000 1.331 119 S CA -0.433 57.786 58.200 0.031 0.000 1.047 119 S CB 0.464 63.682 63.200 0.030 0.000 0.859 119 S HN 0.648 nan 8.310 nan 0.000 0.514 120 I N 1.571 122.154 120.570 0.022 0.000 2.399 120 I HA -0.241 3.926 4.170 -0.006 0.000 0.254 120 I C 2.230 178.416 176.117 0.115 0.000 1.146 120 I CA 1.250 62.566 61.300 0.027 0.000 1.412 120 I CB -0.586 37.405 38.000 -0.015 0.000 1.076 120 I HN 0.732 nan 8.210 nan 0.000 0.432 121 T N -0.666 113.935 114.554 0.078 0.000 2.770 121 T HA -0.107 4.239 4.350 -0.006 0.000 0.258 121 T C 2.081 176.826 174.700 0.075 0.000 1.039 121 T CA 1.504 63.646 62.100 0.070 0.000 1.143 121 T CB -0.203 68.689 68.868 0.039 0.000 0.866 121 T HN 0.263 nan 8.240 nan 0.000 0.428 122 S N 1.444 117.183 115.700 0.066 0.000 2.365 122 S HA -0.122 4.344 4.470 -0.006 0.000 0.225 122 S C 1.645 176.273 174.600 0.047 0.000 1.039 122 S CA 1.354 59.579 58.200 0.042 0.000 1.033 122 S CB -0.669 62.552 63.200 0.035 0.000 0.887 122 S HN 0.495 nan 8.310 nan 0.000 0.447 123 F N 2.618 122.535 119.950 -0.055 0.000 2.043 123 F HA -0.269 4.255 4.527 -0.006 0.000 0.297 123 F C 2.427 178.185 175.800 -0.069 0.000 1.118 123 F CA 2.134 60.087 58.000 -0.078 0.000 1.202 123 F CB -1.148 37.809 39.000 -0.071 0.000 0.965 123 F HN 0.131 nan 8.300 nan 0.000 0.482 124 T N 1.248 115.863 114.554 0.102 0.000 2.803 124 T HA -0.239 4.108 4.350 -0.006 0.000 0.269 124 T C 1.933 176.566 174.700 -0.110 0.000 1.052 124 T CA 1.651 63.741 62.100 -0.018 0.000 1.136 124 T CB -0.583 68.343 68.868 0.097 0.000 0.864 124 T HN 0.369 nan 8.240 nan 0.000 0.467 125 L N 0.608 121.783 121.223 -0.079 0.000 2.240 125 L HA 0.057 4.394 4.340 -0.006 0.000 0.211 125 L C 2.170 178.968 176.870 -0.120 0.000 1.106 125 L CA 1.004 55.798 54.840 -0.077 0.000 0.793 125 L CB -0.268 41.766 42.059 -0.041 0.000 0.927 125 L HN 0.067 nan 8.230 nan 0.000 0.446 126 N N 0.266 118.857 118.700 -0.183 0.000 2.025 126 N HA -0.190 4.547 4.740 -0.006 0.000 0.194 126 N C 1.894 177.259 175.510 -0.241 0.000 1.044 126 N CA 1.786 54.704 53.050 -0.220 0.000 0.851 126 N CB -0.496 37.804 38.487 -0.312 0.000 1.036 126 N HN 0.456 nan 8.380 nan 0.000 0.422 127 A N 0.804 123.401 122.820 -0.371 0.000 1.884 127 A HA -0.268 4.049 4.320 -0.006 0.000 0.219 127 A C 2.079 179.593 177.584 -0.117 0.000 1.197 127 A CA 1.902 53.773 52.037 -0.277 0.000 0.637 127 A CB -0.812 17.968 19.000 -0.367 0.000 0.827 127 A HN 0.460 nan 8.150 nan 0.000 0.450 128 Q N -1.527 118.210 119.800 -0.104 0.000 2.123 128 Q HA -0.133 4.204 4.340 -0.006 0.000 0.199 128 Q C 2.365 178.343 176.000 -0.037 0.000 0.966 128 Q CA 1.190 56.965 55.803 -0.047 0.000 0.845 128 Q CB -0.163 28.553 28.738 -0.037 0.000 0.907 128 Q HN 0.731 nan 8.270 nan 0.000 0.439 129 R N 0.688 121.153 120.500 -0.058 0.000 2.080 129 R HA -0.180 4.157 4.340 -0.006 0.000 0.236 129 R C 2.187 178.455 176.300 -0.054 0.000 1.137 129 R CA 1.360 57.429 56.100 -0.052 0.000 0.943 129 R CB -0.246 30.017 30.300 -0.063 0.000 0.846 129 R HN 0.174 nan 8.270 nan 0.000 0.431 130 I N 1.093 121.611 120.570 -0.088 0.000 2.252 130 I HA -0.182 3.984 4.170 -0.006 0.000 0.245 130 I C 2.076 178.190 176.117 -0.006 0.000 1.102 130 I CA 1.227 62.433 61.300 -0.157 0.000 1.385 130 I CB -0.626 37.155 38.000 -0.365 0.000 1.064 130 I HN 0.331 nan 8.210 nan 0.000 0.414 131 I N 0.860 121.480 120.570 0.084 0.000 2.163 131 I HA -0.314 3.853 4.170 -0.006 0.000 0.243 131 I C 2.631 178.809 176.117 0.102 0.000 1.085 131 I CA 1.364 62.763 61.300 0.166 0.000 1.347 131 I CB -0.565 37.499 38.000 0.108 0.000 1.044 131 I HN 0.185 nan 8.210 nan 0.000 0.408 132 A N 0.145 122.993 122.820 0.047 0.000 1.997 132 A HA -0.279 4.037 4.320 -0.006 0.000 0.221 132 A C 2.229 179.842 177.584 0.048 0.000 1.172 132 A CA 1.633 53.687 52.037 0.029 0.000 0.645 132 A CB -0.450 18.552 19.000 0.004 0.000 0.813 132 A HN 0.442 nan 8.150 nan 0.000 0.454 133 Q N -0.736 119.109 119.800 0.075 0.000 2.079 133 Q HA -0.058 4.279 4.340 -0.006 0.000 0.200 133 Q C 2.213 178.346 176.000 0.222 0.000 0.974 133 Q CA 1.384 57.267 55.803 0.133 0.000 0.840 133 Q CB -0.997 27.793 28.738 0.087 0.000 0.898 133 Q HN 0.448 nan 8.270 nan 0.000 0.430 134 V N 1.421 121.462 119.914 0.212 0.000 2.867 134 V HA -0.208 3.909 4.120 -0.006 0.000 0.260 134 V C 1.575 177.764 176.094 0.159 0.000 1.099 134 V CA 1.534 63.959 62.300 0.208 0.000 1.122 134 V CB -0.225 31.705 31.823 0.178 0.000 0.708 134 V HN 0.432 nan 8.190 nan 0.000 0.490 135 Q N -1.488 118.377 119.800 0.108 0.000 2.247 135 Q HA 0.249 4.586 4.340 -0.006 0.000 0.211 135 Q C 1.838 177.828 176.000 -0.016 0.000 0.861 135 Q CA -0.039 55.791 55.803 0.045 0.000 0.949 135 Q CB 0.506 29.257 28.738 0.022 0.000 1.115 135 Q HN 0.507 nan 8.270 nan 0.000 0.507 136 L N 0.027 121.197 121.223 -0.089 0.000 2.131 136 L HA -0.046 4.290 4.340 -0.006 0.000 0.206 136 L C 0.195 176.822 176.870 -0.404 0.000 1.087 136 L CA 0.932 55.559 54.840 -0.354 0.000 0.767 136 L CB -0.086 41.566 42.059 -0.678 0.000 0.917 136 L HN 0.277 nan 8.230 nan 0.000 0.441 137 H N -2.053 117.027 119.070 0.016 0.000 2.472 137 H HA 0.241 4.794 4.556 -0.005 0.000 0.338 137 H C -0.065 175.267 175.328 0.007 0.000 1.133 137 H CA -0.591 55.466 56.048 0.014 0.000 1.216 137 H CB 0.713 30.489 29.762 0.024 0.000 1.497 137 H HN -0.195 nan 8.280 nan 0.000 0.500 138 N N 0.126 118.894 118.700 0.113 0.000 2.236 138 N HA -0.011 4.726 4.740 -0.006 0.000 0.196 138 N C -0.665 174.879 175.510 0.058 0.000 1.114 138 N CA 0.032 53.119 53.050 0.061 0.000 0.859 138 N CB 0.554 39.059 38.487 0.031 0.000 0.982 138 N HN 0.602 nan 8.380 nan 0.000 0.493 139 D N -1.543 118.907 120.400 0.084 0.000 2.168 139 D HA 0.127 4.764 4.640 -0.006 0.000 0.246 139 D C 1.154 177.481 176.300 0.045 0.000 1.050 139 D CA -0.096 53.938 54.000 0.057 0.000 0.857 139 D CB 1.415 42.248 40.800 0.057 0.000 1.169 139 D HN -0.136 nan 8.370 nan 0.000 0.453 140 T N 1.913 116.490 114.554 0.037 0.000 2.833 140 T HA -0.085 4.262 4.350 -0.006 0.000 0.269 140 T C 1.577 176.307 174.700 0.050 0.000 1.054 140 T CA 1.790 63.914 62.100 0.040 0.000 1.135 140 T CB -0.167 68.745 68.868 0.074 0.000 0.869 140 T HN 0.482 nan 8.240 nan 0.000 0.466 141 A N 0.251 123.093 122.820 0.037 0.000 1.935 141 A HA 0.128 4.444 4.320 -0.006 0.000 0.214 141 A C 2.620 180.180 177.584 -0.040 0.000 1.178 141 A CA 1.538 53.584 52.037 0.014 0.000 0.640 141 A CB -0.622 18.387 19.000 0.014 0.000 0.825 141 A HN 0.537 nan 8.150 nan 0.000 0.447 142 S N 0.439 116.103 115.700 -0.061 0.000 2.370 142 S HA -0.160 4.306 4.470 -0.006 0.000 0.226 142 S C 1.872 176.197 174.600 -0.459 0.000 1.033 142 S CA 1.259 59.355 58.200 -0.173 0.000 1.011 142 S CB -0.562 62.614 63.200 -0.040 0.000 0.852 142 S HN 0.492 nan 8.310 nan 0.000 0.457 143 L N 2.160 123.191 121.223 -0.321 0.000 1.941 143 L HA -0.168 4.169 4.340 -0.006 0.000 0.224 143 L C 2.209 179.024 176.870 -0.090 0.000 1.081 143 L CA 2.000 56.699 54.840 -0.235 0.000 0.784 143 L CB -1.159 40.893 42.059 -0.012 0.000 0.894 143 L HN 0.355 nan 8.230 nan 0.000 0.436 144 L N -0.222 121.015 121.223 0.024 0.000 1.997 144 L HA -0.306 4.030 4.340 -0.006 0.000 0.216 144 L C 2.897 179.816 176.870 0.082 0.000 1.074 144 L CA 1.902 56.808 54.840 0.111 0.000 0.763 144 L CB -1.026 41.057 42.059 0.041 0.000 0.890 144 L HN 0.470 nan 8.230 nan 0.000 0.434 145 S N -0.108 115.584 115.700 -0.014 0.000 2.365 145 S HA -0.244 4.223 4.470 -0.006 0.000 0.225 145 S C 1.726 176.313 174.600 -0.022 0.000 1.039 145 S CA 1.994 60.182 58.200 -0.021 0.000 1.033 145 S CB -0.354 62.819 63.200 -0.045 0.000 0.887 145 S HN 0.460 nan 8.310 nan 0.000 0.447 146 N N 0.179 118.825 118.700 -0.091 0.000 2.062 146 N HA -0.102 4.634 4.740 -0.006 0.000 0.191 146 N C 1.975 177.490 175.510 0.009 0.000 1.042 146 N CA 1.569 54.596 53.050 -0.039 0.000 0.845 146 N CB -0.451 38.004 38.487 -0.054 0.000 1.024 146 N HN 0.407 nan 8.380 nan 0.000 0.424 147 V N 1.433 121.368 119.914 0.035 0.000 2.287 147 V HA -0.236 3.881 4.120 -0.006 0.000 0.248 147 V C 2.038 178.094 176.094 -0.065 0.000 1.053 147 V CA 2.188 64.483 62.300 -0.008 0.000 1.027 147 V CB -1.060 30.810 31.823 0.078 0.000 0.646 147 V HN 0.290 nan 8.190 nan 0.000 0.447 148 T N 0.241 114.863 114.554 0.113 0.000 2.721 148 T HA -0.221 4.125 4.350 -0.006 0.000 0.268 148 T C 1.554 176.247 174.700 -0.012 0.000 1.038 148 T CA 2.175 64.342 62.100 0.113 0.000 1.145 148 T CB -0.507 68.458 68.868 0.162 0.000 0.858 148 T HN 0.697 nan 8.240 nan 0.000 0.459 149 D N 0.343 120.734 120.400 -0.015 0.000 2.085 149 D HA -0.037 4.600 4.640 -0.006 0.000 0.199 149 D C 2.192 178.457 176.300 -0.058 0.000 0.981 149 D CA 0.940 54.924 54.000 -0.027 0.000 0.834 149 D CB -0.487 40.307 40.800 -0.008 0.000 0.992 149 D HN 0.339 nan 8.370 nan 0.000 0.457 150 E N 0.458 120.614 120.200 -0.073 0.000 2.333 150 E HA -0.082 4.264 4.350 -0.006 0.000 0.198 150 E C 2.034 178.537 176.600 -0.161 0.000 1.007 150 E CA 0.395 56.738 56.400 -0.096 0.000 0.845 150 E CB -0.287 29.359 29.700 -0.089 0.000 0.766 150 E HN 0.251 nan 8.360 nan 0.000 0.507 151 L N -0.568 120.516 121.223 -0.232 0.000 2.072 151 L HA -0.034 4.302 4.340 -0.006 0.000 0.205 151 L C 2.713 179.476 176.870 -0.180 0.000 1.079 151 L CA 1.146 55.788 54.840 -0.329 0.000 0.752 151 L CB -0.272 41.498 42.059 -0.481 0.000 0.906 151 L HN 0.104 nan 8.230 nan 0.000 0.436 152 R N 0.075 120.514 120.500 -0.102 0.000 2.081 152 R HA -0.150 4.187 4.340 -0.006 0.000 0.235 152 R C 2.463 178.763 176.300 0.000 0.000 1.131 152 R CA 1.324 57.413 56.100 -0.018 0.000 0.960 152 R CB -0.043 30.255 30.300 -0.003 0.000 0.856 152 R HN 0.212 nan 8.270 nan 0.000 0.436 153 R N -0.298 120.189 120.500 -0.021 0.000 2.117 153 R HA -0.162 4.175 4.340 -0.006 0.000 0.243 153 R C 2.305 178.603 176.300 -0.003 0.000 1.143 153 R CA 2.105 58.198 56.100 -0.011 0.000 0.968 153 R CB -0.186 30.101 30.300 -0.022 0.000 0.863 153 R HN 0.309 nan 8.270 nan 0.000 0.444 154 M N -0.740 118.852 119.600 -0.013 0.000 2.073 154 M HA -0.112 4.364 4.480 -0.006 0.000 0.259 154 M C 2.647 178.990 176.300 0.072 0.000 1.079 154 M CA 2.141 57.455 55.300 0.024 0.000 1.131 154 M CB -0.683 31.936 32.600 0.032 0.000 1.316 154 M HN 0.245 nan 8.290 nan 0.000 0.415 155 T N -2.034 112.579 114.554 0.098 0.000 2.777 155 T HA 0.049 4.396 4.350 -0.006 0.000 0.266 155 T C 1.673 176.440 174.700 0.111 0.000 1.040 155 T CA 1.614 63.818 62.100 0.172 0.000 1.141 155 T CB -0.632 68.415 68.868 0.298 0.000 0.868 155 T HN 0.691 nan 8.240 nan 0.000 0.444 156 G N -0.138 108.726 108.800 0.106 0.000 2.176 156 G HA2 -0.259 3.698 3.960 -0.006 0.000 0.253 156 G HA3 -0.259 3.698 3.960 -0.006 0.000 0.253 156 G C 0.078 175.076 174.900 0.164 0.000 0.979 156 G CA 0.066 45.220 45.100 0.090 0.000 0.641 156 G HN 0.681 nan 8.290 nan 0.000 0.530 157 Y N 1.966 122.336 120.300 0.116 0.000 2.993 157 Y HA 0.131 4.677 4.550 -0.006 0.000 0.340 157 Y C 1.945 177.929 175.900 0.140 0.000 1.273 157 Y CA 1.386 59.632 58.100 0.243 0.000 1.545 157 Y CB 0.620 39.148 38.460 0.113 0.000 1.275 157 Y HN 0.381 nan 8.280 nan 0.000 0.617 158 D N 0.830 121.334 120.400 0.173 0.000 2.350 158 D HA 0.035 4.672 4.640 -0.006 0.000 0.213 158 D C 0.270 176.588 176.300 0.030 0.000 1.031 158 D CA 0.155 54.147 54.000 -0.015 0.000 0.861 158 D CB 0.221 40.885 40.800 -0.226 0.000 0.926 158 D HN 0.373 nan 8.370 nan 0.000 0.520 159 R N 0.532 121.090 120.500 0.097 0.000 2.510 159 R HA 0.464 4.801 4.340 -0.006 0.000 0.294 159 R C -2.142 174.131 176.300 -0.045 0.000 1.056 159 R CA -0.763 55.349 56.100 0.020 0.000 0.918 159 R CB 2.055 32.352 30.300 -0.005 0.000 1.187 159 R HN -0.014 nan 8.270 nan 0.000 0.437 160 V N 6.095 125.961 119.914 -0.080 0.000 2.444 160 V HA 0.574 4.690 4.120 -0.006 0.000 0.294 160 V C -0.837 175.176 176.094 -0.135 0.000 1.022 160 V CA -0.559 61.657 62.300 -0.139 0.000 0.850 160 V CB 1.745 33.504 31.823 -0.108 0.000 0.992 160 V HN 0.871 nan 8.190 nan 0.000 0.426 161 M N 5.238 124.713 119.600 -0.209 0.000 2.762 161 M HA 0.893 5.370 4.480 -0.006 0.000 0.306 161 M C -0.216 176.008 176.300 -0.126 0.000 1.223 161 M CA -0.644 54.535 55.300 -0.202 0.000 0.896 161 M CB 2.293 34.663 32.600 -0.383 0.000 1.684 161 M HN 0.801 nan 8.290 nan 0.000 0.491 162 A N 0.867 123.598 122.820 -0.148 0.000 2.386 162 A HA 0.778 5.094 4.320 -0.006 0.000 0.311 162 A C -2.132 175.372 177.584 -0.133 0.000 1.068 162 A CA -0.415 51.474 52.037 -0.246 0.000 0.743 162 A CB 1.219 20.051 19.000 -0.281 0.000 1.258 162 A HN 0.694 nan 8.150 nan 0.000 0.429 163 Y N 1.518 121.589 120.300 -0.382 0.000 2.331 163 Y HA 0.460 5.006 4.550 -0.006 0.000 0.326 163 Y C 0.244 175.821 175.900 -0.540 0.000 1.020 163 Y CA -0.946 56.884 58.100 -0.450 0.000 1.136 163 Y CB 1.441 39.620 38.460 -0.468 0.000 1.157 163 Y HN 0.815 nan 8.280 nan 0.000 0.444 164 R N 3.298 123.385 120.500 -0.689 0.000 2.549 164 R HA 0.551 4.888 4.340 -0.006 0.000 0.267 164 R C -1.513 174.174 176.300 -1.022 0.000 1.045 164 R CA -0.691 54.911 56.100 -0.829 0.000 1.115 164 R CB 1.120 30.983 30.300 -0.729 0.000 1.121 164 R HN 0.522 nan 8.270 nan 0.000 0.543 165 F N 1.834 121.370 119.950 -0.689 0.000 2.500 165 F HA 0.352 4.876 4.527 -0.006 0.000 0.349 165 F C 0.437 176.024 175.800 -0.354 0.000 1.127 165 F CA -0.916 56.801 58.000 -0.471 0.000 0.998 165 F CB 1.004 39.790 39.000 -0.357 0.000 1.237 165 F HN 0.154 nan 8.300 nan 0.000 0.439 166 R N 0.679 121.104 120.500 -0.125 0.000 2.905 166 R HA -0.069 4.267 4.340 -0.006 0.000 0.273 166 R C 1.425 177.754 176.300 0.048 0.000 1.033 166 R CA 0.057 56.138 56.100 -0.033 0.000 1.182 166 R CB -0.011 30.293 30.300 0.007 0.000 1.097 166 R HN 0.791 nan 8.270 nan 0.000 0.504 167 H N 0.856 119.920 119.070 -0.009 0.000 2.457 167 H HA -0.115 4.437 4.556 -0.006 0.000 0.297 167 H C 0.756 176.097 175.328 0.021 0.000 1.092 167 H CA 2.050 58.103 56.048 0.008 0.000 1.309 167 H CB 0.157 29.925 29.762 0.010 0.000 1.382 167 H HN 0.576 nan 8.280 nan 0.000 0.535 168 D N -0.407 120.071 120.400 0.129 0.000 2.323 168 D HA -0.075 4.561 4.640 -0.006 0.000 0.239 168 D C -0.013 176.316 176.300 0.048 0.000 1.129 168 D CA 0.549 54.599 54.000 0.083 0.000 0.865 168 D CB -0.405 40.453 40.800 0.097 0.000 0.913 168 D HN 0.403 nan 8.370 nan 0.000 0.517 169 D N -0.066 120.352 120.400 0.029 0.000 3.039 169 D HA -0.188 4.448 4.640 -0.006 0.000 0.222 169 D C 0.133 176.550 176.300 0.195 0.000 1.179 169 D CA 1.186 55.235 54.000 0.082 0.000 0.880 169 D CB -1.551 39.253 40.800 0.006 0.000 1.115 169 D HN 0.559 nan 8.370 nan 0.000 0.416 170 S N -0.870 114.916 115.700 0.144 0.000 2.641 170 S HA 0.629 5.095 4.470 -0.006 0.000 0.261 170 S C 0.676 175.202 174.600 -0.124 0.000 1.257 170 S CA 0.151 58.425 58.200 0.124 0.000 0.983 170 S CB 2.383 65.724 63.200 0.234 0.000 0.990 170 S HN 0.283 nan 8.310 nan 0.000 0.572 171 G N -1.020 107.582 108.800 -0.331 0.000 2.537 171 G HA2 0.608 4.564 3.960 -0.006 0.000 0.308 171 G HA3 0.608 4.564 3.960 -0.006 0.000 0.308 171 G C -1.479 172.903 174.900 -0.864 0.000 1.237 171 G CA -0.819 43.648 45.100 -1.054 0.000 0.968 171 G HN 0.930 nan 8.290 nan 0.000 0.481 172 E N -0.079 119.408 120.200 -1.188 0.000 2.406 172 E HA 0.292 4.638 4.350 -0.006 0.000 0.297 172 E C -1.432 175.102 176.600 -0.111 0.000 0.917 172 E CA -0.685 55.456 56.400 -0.432 0.000 0.795 172 E CB 2.073 31.561 29.700 -0.355 0.000 1.285 172 E HN 0.303 nan 8.360 nan 0.000 0.400 173 V N 5.569 125.626 119.914 0.237 0.000 2.364 173 V HA 0.030 4.146 4.120 -0.006 0.000 0.252 173 V C 1.230 177.320 176.094 -0.005 0.000 1.075 173 V CA 0.374 62.764 62.300 0.150 0.000 1.033 173 V CB 0.373 32.224 31.823 0.045 0.000 1.116 173 V HN 0.631 nan 8.190 nan 0.000 0.488 174 V N 2.022 121.906 119.914 -0.050 0.000 3.647 174 V HA 0.765 4.881 4.120 -0.006 0.000 0.279 174 V C 0.609 176.673 176.094 -0.050 0.000 1.314 174 V CA 0.687 62.945 62.300 -0.070 0.000 1.125 174 V CB -0.145 31.616 31.823 -0.102 0.000 0.907 174 V HN 0.856 nan 8.190 nan 0.000 0.434 175 A N -0.293 122.500 122.820 -0.046 0.000 2.605 175 A HA 0.796 5.113 4.320 -0.006 0.000 0.294 175 A C -0.932 176.634 177.584 -0.029 0.000 1.062 175 A CA -0.367 51.653 52.037 -0.029 0.000 0.682 175 A CB 1.804 20.795 19.000 -0.015 0.000 1.278 175 A HN 0.431 nan 8.150 nan 0.000 0.410 176 E N -0.106 120.085 120.200 -0.014 0.000 2.423 176 E HA 0.695 5.042 4.350 -0.006 0.000 0.280 176 E C -1.656 174.940 176.600 -0.005 0.000 1.030 176 E CA -0.331 56.059 56.400 -0.017 0.000 0.812 176 E CB 2.074 31.775 29.700 0.002 0.000 1.313 176 E HN 1.057 nan 8.360 nan 0.000 0.456 177 S N 1.604 117.298 115.700 -0.009 0.000 2.616 177 S HA 0.455 4.921 4.470 -0.006 0.000 0.276 177 S C -1.468 173.133 174.600 0.001 0.000 1.159 177 S CA -0.705 57.493 58.200 -0.002 0.000 1.000 177 S CB 0.634 63.830 63.200 -0.005 0.000 1.117 177 S HN 0.610 nan 8.310 nan 0.000 0.464 178 R N 2.741 123.248 120.500 0.012 0.000 2.831 178 R HA 0.584 4.921 4.340 -0.006 0.000 0.266 178 R C -0.912 175.396 176.300 0.013 0.000 1.051 178 R CA -1.224 54.888 56.100 0.019 0.000 0.943 178 R CB 0.997 31.323 30.300 0.044 0.000 1.228 178 R HN 0.596 nan 8.270 nan 0.000 0.467 179 R N 0.958 121.463 120.500 0.008 0.000 2.298 179 R HA 0.100 4.437 4.340 -0.006 0.000 0.310 179 R C -0.095 176.208 176.300 0.005 0.000 1.068 179 R CA 0.103 56.203 56.100 -0.001 0.000 0.957 179 R CB 0.843 31.130 30.300 -0.022 0.000 1.003 179 R HN 0.782 nan 8.270 nan 0.000 0.454 180 E N 2.454 122.656 120.200 0.002 0.000 2.219 180 E HA -0.234 4.113 4.350 -0.006 0.000 0.198 180 E C 0.595 177.195 176.600 0.001 0.000 0.998 180 E CA 1.669 58.070 56.400 0.002 0.000 0.818 180 E CB 0.050 29.749 29.700 -0.001 0.000 0.741 180 E HN 0.721 nan 8.360 nan 0.000 0.477 181 D N 0.515 120.915 120.400 -0.000 0.000 2.265 181 D HA -0.111 4.526 4.640 -0.006 0.000 0.208 181 D C 0.455 176.758 176.300 0.005 0.000 0.977 181 D CA 0.944 54.944 54.000 -0.001 0.000 0.871 181 D CB -0.197 40.601 40.800 -0.004 0.000 0.925 181 D HN 0.226 nan 8.370 nan 0.000 0.485 182 L N 1.119 122.352 121.223 0.016 0.000 2.322 182 L HA 0.326 4.662 4.340 -0.006 0.000 0.279 182 L C 0.546 177.431 176.870 0.025 0.000 1.036 182 L CA -1.211 53.652 54.840 0.039 0.000 0.807 182 L CB 1.143 43.246 42.059 0.074 0.000 1.226 182 L HN -0.115 nan 8.230 nan 0.000 0.433 183 E N 0.833 121.028 120.200 -0.008 0.000 2.415 183 E HA 0.130 4.476 4.350 -0.006 0.000 0.262 183 E C -0.356 176.143 176.600 -0.169 0.000 1.038 183 E CA -0.419 55.911 56.400 -0.118 0.000 0.921 183 E CB 0.832 30.407 29.700 -0.209 0.000 0.950 183 E HN 0.489 nan 8.360 nan 0.000 0.438 184 S N 1.315 116.910 115.700 -0.176 0.000 2.601 184 S HA 0.192 4.658 4.470 -0.006 0.000 0.271 184 S C -0.493 173.948 174.600 -0.264 0.000 1.305 184 S CA -0.437 57.700 58.200 -0.106 0.000 1.022 184 S CB 0.304 63.471 63.200 -0.055 0.000 0.940 184 S HN 0.582 nan 8.310 nan 0.000 0.525 185 Y N 1.687 121.960 120.300 -0.044 0.000 2.432 185 Y HA 0.393 4.940 4.550 -0.005 0.000 0.252 185 Y C 0.751 176.607 175.900 -0.072 0.000 1.097 185 Y CA -0.456 57.613 58.100 -0.052 0.000 1.250 185 Y CB 0.239 38.665 38.460 -0.057 0.000 1.245 185 Y HN 0.488 nan 8.280 nan 0.000 0.522 186 L N 0.218 121.473 121.223 0.052 0.000 2.581 186 L HA -0.037 4.300 4.340 -0.006 0.000 0.299 186 L C 1.555 178.395 176.870 -0.049 0.000 1.261 186 L CA 1.768 56.606 54.840 -0.003 0.000 0.866 186 L CB 0.332 42.379 42.059 -0.021 0.000 1.113 186 L HN 0.642 nan 8.230 nan 0.000 0.514 187 G N 2.936 111.694 108.800 -0.070 0.000 2.302 187 G HA2 -0.348 3.608 3.960 -0.006 0.000 0.263 187 G HA3 -0.348 3.608 3.960 -0.006 0.000 0.263 187 G C 0.394 175.174 174.900 -0.201 0.000 0.995 187 G CA 0.370 45.397 45.100 -0.122 0.000 0.622 187 G HN 0.572 nan 8.290 nan 0.000 0.538 188 L N 0.750 121.863 121.223 -0.182 0.000 2.554 188 L HA 0.285 4.621 4.340 -0.006 0.000 0.293 188 L C 0.794 177.443 176.870 -0.368 0.000 1.252 188 L CA 0.471 55.129 54.840 -0.303 0.000 0.862 188 L CB 0.235 42.284 42.059 -0.017 0.000 1.113 188 L HN 0.354 nan 8.230 nan 0.000 0.510 189 R N 3.709 123.751 120.500 -0.764 0.000 2.621 189 R HA 0.447 4.783 4.340 -0.006 0.000 0.284 189 R C -1.731 174.038 176.300 -0.884 0.000 0.998 189 R CA -0.736 54.836 56.100 -0.879 0.000 0.895 189 R CB 1.969 31.284 30.300 -1.643 0.000 1.195 189 R HN 0.451 nan 8.270 nan 0.000 0.450 190 Y N 1.221 121.273 120.300 -0.413 0.000 2.633 190 Y HA 0.494 5.042 4.550 -0.004 0.000 0.339 190 Y C -2.043 173.880 175.900 0.038 0.000 1.045 190 Y CA -2.516 55.531 58.100 -0.089 0.000 1.098 190 Y CB 1.832 40.368 38.460 0.128 0.000 1.296 190 Y HN 0.405 nan 8.280 nan 0.000 0.494 191 P HA 0.220 nan 4.420 nan 0.000 0.279 191 P C -0.130 177.341 177.300 0.285 0.000 1.276 191 P CA -0.170 63.176 63.100 0.410 0.000 0.801 191 P CB 0.956 32.866 31.700 0.351 0.000 1.127 192 A N 0.783 123.737 122.820 0.223 0.000 1.902 192 A HA -0.184 4.133 4.320 -0.006 0.000 0.217 192 A C 2.093 179.773 177.584 0.160 0.000 1.181 192 A CA 2.445 54.586 52.037 0.174 0.000 0.623 192 A CB -2.075 16.994 19.000 0.115 0.000 0.818 192 A HN 0.627 nan 8.150 nan 0.000 0.443 193 S N 0.202 115.997 115.700 0.158 0.000 2.440 193 S HA -0.216 4.251 4.470 -0.006 0.000 0.240 193 S C 1.199 175.898 174.600 0.165 0.000 1.014 193 S CA 1.605 59.890 58.200 0.142 0.000 0.980 193 S CB -0.585 62.699 63.200 0.139 0.000 0.775 193 S HN 0.514 nan 8.310 nan 0.000 0.499 194 D N 1.261 121.787 120.400 0.210 0.000 2.310 194 D HA 0.156 4.793 4.640 -0.006 0.000 0.212 194 D C 0.309 176.695 176.300 0.143 0.000 0.965 194 D CA 0.717 54.844 54.000 0.211 0.000 0.879 194 D CB -0.033 40.923 40.800 0.260 0.000 0.921 194 D HN 0.511 nan 8.370 nan 0.000 0.510 195 I N 1.209 121.867 120.570 0.146 0.000 2.521 195 I HA 0.248 4.414 4.170 -0.006 0.000 0.277 195 I C -2.521 173.625 176.117 0.049 0.000 1.054 195 I CA -1.983 59.384 61.300 0.112 0.000 1.117 195 I CB 1.924 40.038 38.000 0.191 0.000 1.217 195 I HN -0.368 nan 8.210 nan 0.000 0.469 196 P HA 0.087 nan 4.420 nan 0.000 0.269 196 P C 0.911 178.171 177.300 -0.067 0.000 1.215 196 P CA -0.067 63.028 63.100 -0.007 0.000 0.780 196 P CB 1.028 32.728 31.700 0.000 0.000 0.898 197 A N 2.152 124.937 122.820 -0.059 0.000 2.139 197 A HA -0.271 4.046 4.320 -0.006 0.000 0.221 197 A C 2.110 179.610 177.584 -0.140 0.000 1.159 197 A CA 1.772 53.753 52.037 -0.094 0.000 0.662 197 A CB -0.982 17.980 19.000 -0.065 0.000 0.796 197 A HN 0.601 nan 8.150 nan 0.000 0.463 198 Q N -1.158 118.565 119.800 -0.127 0.000 2.123 198 Q HA 0.190 4.526 4.340 -0.006 0.000 0.196 198 Q C 2.270 178.099 176.000 -0.284 0.000 0.958 198 Q CA 1.227 56.940 55.803 -0.151 0.000 0.841 198 Q CB -0.315 28.403 28.738 -0.033 0.000 0.915 198 Q HN 0.614 nan 8.270 nan 0.000 0.455 199 A N 0.447 123.062 122.820 -0.343 0.000 1.972 199 A HA -0.183 4.134 4.320 -0.006 0.000 0.219 199 A C 1.992 178.841 177.584 -1.225 0.000 1.169 199 A CA 1.407 53.010 52.037 -0.724 0.000 0.635 199 A CB -0.395 18.333 19.000 -0.454 0.000 0.810 199 A HN 0.236 nan 8.150 nan 0.000 0.446 200 R N -1.054 119.084 120.500 -0.603 0.000 2.062 200 R HA -0.098 4.239 4.340 -0.006 0.000 0.226 200 R C 2.410 178.504 176.300 -0.343 0.000 1.125 200 R CA 1.246 57.098 56.100 -0.413 0.000 0.966 200 R CB -0.218 29.939 30.300 -0.239 0.000 0.861 200 R HN 0.370 nan 8.270 nan 0.000 0.433 201 R N 1.115 121.439 120.500 -0.294 0.000 2.113 201 R HA -0.144 4.192 4.340 -0.006 0.000 0.244 201 R C 2.088 178.224 176.300 -0.273 0.000 1.142 201 R CA 1.702 57.659 56.100 -0.239 0.000 0.953 201 R CB -0.962 29.206 30.300 -0.220 0.000 0.860 201 R HN 0.288 nan 8.270 nan 0.000 0.438 202 L N -0.979 120.012 121.223 -0.387 0.000 1.994 202 L HA -0.193 4.144 4.340 -0.006 0.000 0.208 202 L C 2.205 178.949 176.870 -0.209 0.000 1.071 202 L CA 1.382 56.005 54.840 -0.362 0.000 0.745 202 L CB -0.599 41.215 42.059 -0.408 0.000 0.892 202 L HN 0.226 nan 8.230 nan 0.000 0.431 203 Y N -0.283 119.935 120.300 -0.136 0.000 2.384 203 Y HA -0.225 4.322 4.550 -0.006 0.000 0.289 203 Y C 2.325 178.167 175.900 -0.097 0.000 1.152 203 Y CA 0.670 58.705 58.100 -0.109 0.000 1.258 203 Y CB -0.984 37.414 38.460 -0.104 0.000 0.979 203 Y HN 0.204 nan 8.280 nan 0.000 0.549 204 I N -0.699 119.870 120.570 -0.002 0.000 2.406 204 I HA -0.241 3.926 4.170 -0.006 0.000 0.249 204 I C 2.278 178.378 176.117 -0.027 0.000 1.122 204 I CA 1.012 62.298 61.300 -0.024 0.000 1.431 204 I CB -0.329 37.633 38.000 -0.064 0.000 1.087 204 I HN 0.189 nan 8.210 nan 0.000 0.424 205 Q N 0.430 120.182 119.800 -0.079 0.000 2.083 205 Q HA -0.026 4.310 4.340 -0.006 0.000 0.198 205 Q C 0.262 176.243 176.000 -0.032 0.000 0.969 205 Q CA 0.801 56.553 55.803 -0.085 0.000 0.838 205 Q CB 0.104 28.658 28.738 -0.307 0.000 0.900 205 Q HN 0.426 nan 8.270 nan 0.000 0.436 206 N N 0.454 119.119 118.700 -0.059 0.000 2.476 206 N HA 0.147 4.884 4.740 -0.006 0.000 0.257 206 N C -2.197 173.334 175.510 0.035 0.000 0.970 206 N CA -1.387 51.656 53.050 -0.011 0.000 0.938 206 N CB 1.690 40.143 38.487 -0.057 0.000 1.144 206 N HN -0.114 nan 8.380 nan 0.000 0.500 207 P HA -0.096 nan 4.420 nan 0.000 0.217 207 P C 0.026 177.358 177.300 0.054 0.000 1.158 207 P CA 1.447 64.577 63.100 0.049 0.000 0.887 207 P CB 0.503 32.233 31.700 0.051 0.000 0.792 208 I N -1.257 119.342 120.570 0.048 0.000 2.466 208 I HA 0.304 4.470 4.170 -0.006 0.000 0.289 208 I C -0.212 175.924 176.117 0.032 0.000 1.026 208 I CA -1.087 60.240 61.300 0.045 0.000 1.078 208 I CB 2.076 40.120 38.000 0.073 0.000 1.249 208 I HN -0.305 nan 8.210 nan 0.000 0.429 209 R N 6.705 127.208 120.500 0.006 0.000 2.494 209 R HA 0.624 4.960 4.340 -0.006 0.000 0.305 209 R C -1.125 175.185 176.300 0.017 0.000 0.959 209 R CA -0.825 55.282 56.100 0.012 0.000 0.864 209 R CB 1.825 32.120 30.300 -0.009 0.000 1.159 209 R HN 0.603 nan 8.270 nan 0.000 0.446 210 L N 4.189 125.442 121.223 0.049 0.000 2.343 210 L HA 0.555 4.891 4.340 -0.006 0.000 0.278 210 L C -0.902 176.005 176.870 0.062 0.000 0.996 210 L CA -0.635 54.242 54.840 0.063 0.000 0.831 210 L CB 1.019 43.124 42.059 0.078 0.000 1.232 210 L HN 0.578 nan 8.230 nan 0.000 0.413 211 I N 4.831 125.437 120.570 0.061 0.000 2.304 211 I HA 0.296 4.462 4.170 -0.006 0.000 0.291 211 I C 0.951 177.081 176.117 0.022 0.000 1.018 211 I CA -0.170 61.163 61.300 0.054 0.000 1.260 211 I CB 1.868 39.920 38.000 0.087 0.000 1.390 211 I HN 0.746 nan 8.210 nan 0.000 0.475 212 A N 4.478 127.274 122.820 -0.041 0.000 1.943 212 A HA 0.033 4.350 4.320 -0.006 0.000 0.213 212 A C 0.589 178.151 177.584 -0.036 0.000 1.181 212 A CA 1.012 52.962 52.037 -0.145 0.000 0.653 212 A CB 0.113 18.835 19.000 -0.464 0.000 0.833 212 A HN 0.718 nan 8.150 nan 0.000 0.451 213 D N -1.767 118.664 120.400 0.052 0.000 2.966 213 D HA 0.355 4.992 4.640 -0.006 0.000 0.222 213 D C 0.516 176.969 176.300 0.255 0.000 1.292 213 D CA -0.313 53.760 54.000 0.122 0.000 0.907 213 D CB 1.950 42.830 40.800 0.134 0.000 1.621 213 D HN -0.126 nan 8.370 nan 0.000 0.557 214 V N 2.665 122.695 119.914 0.194 0.000 2.407 214 V HA -0.005 4.112 4.120 -0.006 0.000 0.245 214 V C 2.205 178.397 176.094 0.163 0.000 1.041 214 V CA 1.803 64.233 62.300 0.216 0.000 1.040 214 V CB -0.510 31.363 31.823 0.084 0.000 0.671 214 V HN 0.689 nan 8.190 nan 0.000 0.455 215 A N 0.073 122.946 122.820 0.088 0.000 2.259 215 A HA 0.107 4.423 4.320 -0.006 0.000 0.208 215 A C 0.909 178.481 177.584 -0.021 0.000 1.201 215 A CA -0.346 51.688 52.037 -0.004 0.000 0.824 215 A CB -1.147 17.857 19.000 0.006 0.000 0.838 215 A HN 0.704 nan 8.150 nan 0.000 0.485 216 Y N -0.582 119.741 120.300 0.037 0.000 2.903 216 Y HA 0.253 4.800 4.550 -0.006 0.000 0.338 216 Y C -0.229 175.693 175.900 0.037 0.000 1.265 216 Y CA 0.344 58.470 58.100 0.044 0.000 1.532 216 Y CB -0.254 38.243 38.460 0.063 0.000 1.293 216 Y HN -0.012 nan 8.280 nan 0.000 0.609 217 T N 7.751 122.288 114.554 -0.029 0.000 2.770 217 T HA 0.329 4.676 4.350 -0.006 0.000 0.297 217 T C -2.336 172.411 174.700 0.079 0.000 0.997 217 T CA -1.207 60.825 62.100 -0.114 0.000 0.949 217 T CB 0.787 69.629 68.868 -0.043 0.000 0.941 217 T HN 0.545 nan 8.240 nan 0.000 0.457 218 P HA 0.179 nan 4.420 nan 0.000 0.269 218 P C -0.551 176.841 177.300 0.154 0.000 1.205 218 P CA -0.398 62.892 63.100 0.316 0.000 0.780 218 P CB 0.399 32.231 31.700 0.219 0.000 0.858 219 M N 1.668 121.335 119.600 0.110 0.000 2.190 219 M HA 0.308 4.784 4.480 -0.006 0.000 0.312 219 M C -0.234 176.030 176.300 -0.060 0.000 0.990 219 M CA -0.302 55.013 55.300 0.024 0.000 0.927 219 M CB 1.340 33.949 32.600 0.014 0.000 1.571 219 M HN 0.163 nan 8.290 nan 0.000 0.427 220 R N 1.557 121.970 120.500 -0.145 0.000 2.528 220 R HA 0.729 5.066 4.340 -0.006 0.000 0.271 220 R C -0.584 175.408 176.300 -0.513 0.000 1.056 220 R CA -0.879 55.010 56.100 -0.351 0.000 1.117 220 R CB 0.899 30.890 30.300 -0.515 0.000 1.085 220 R HN 0.600 nan 8.270 nan 0.000 0.530 221 V N -0.169 119.417 119.914 -0.547 0.000 2.581 221 V HA 0.651 4.768 4.120 -0.006 0.000 0.303 221 V C -1.086 174.645 176.094 -0.605 0.000 1.041 221 V CA -0.699 61.313 62.300 -0.480 0.000 0.907 221 V CB 1.125 32.767 31.823 -0.302 0.000 0.994 221 V HN 0.474 nan 8.190 nan 0.000 0.442 222 F N 3.889 123.821 119.950 -0.031 0.000 2.551 222 F HA 0.796 5.320 4.527 -0.006 0.000 0.316 222 F C -2.310 173.494 175.800 0.007 0.000 1.089 222 F CA -2.572 55.432 58.000 0.007 0.000 0.915 222 F CB 1.988 40.992 39.000 0.007 0.000 1.186 222 F HN 0.385 nan 8.300 nan 0.000 0.456 223 P HA 0.198 nan 4.420 nan 0.000 0.272 223 P C 0.093 177.593 177.300 0.335 0.000 1.230 223 P CA -0.141 63.162 63.100 0.337 0.000 0.788 223 P CB 0.844 32.687 31.700 0.239 0.000 0.949 224 A N 1.712 124.722 122.820 0.318 0.000 2.125 224 A HA -0.024 4.293 4.320 -0.006 0.000 0.219 224 A C 0.759 178.516 177.584 0.289 0.000 1.156 224 A CA 1.176 53.355 52.037 0.237 0.000 0.671 224 A CB -0.870 18.244 19.000 0.190 0.000 0.794 224 A HN 0.517 nan 8.150 nan 0.000 0.459 225 L N -0.459 120.923 121.223 0.265 0.000 2.409 225 L HA 0.407 4.744 4.340 -0.006 0.000 0.272 225 L C -0.827 176.056 176.870 0.022 0.000 0.980 225 L CA -0.923 53.983 54.840 0.109 0.000 0.826 225 L CB 1.793 43.887 42.059 0.059 0.000 1.268 225 L HN 0.161 nan 8.230 nan 0.000 0.407 226 N N 6.007 124.481 118.700 -0.377 0.000 2.399 226 N HA 0.235 4.971 4.740 -0.006 0.000 0.259 226 N C -2.007 173.384 175.510 -0.198 0.000 1.160 226 N CA -1.923 50.829 53.050 -0.496 0.000 0.946 226 N CB 1.272 39.069 38.487 -1.150 0.000 1.156 226 N HN 0.330 nan 8.380 nan 0.000 0.489 227 P HA -0.167 nan 4.420 nan 0.000 0.217 227 P C 0.714 177.985 177.300 -0.048 0.000 1.151 227 P CA 1.217 64.299 63.100 -0.030 0.000 0.849 227 P CB 0.333 32.037 31.700 0.006 0.000 0.787 228 E N -1.727 118.435 120.200 -0.064 0.000 2.204 228 E HA -0.109 4.238 4.350 -0.006 0.000 0.195 228 E C 1.756 178.316 176.600 -0.067 0.000 0.990 228 E CA 1.338 57.705 56.400 -0.057 0.000 0.821 228 E CB -0.670 28.996 29.700 -0.058 0.000 0.750 228 E HN 0.253 nan 8.360 nan 0.000 0.477 229 T N -1.424 113.071 114.554 -0.097 0.000 2.966 229 T HA 0.033 4.379 4.350 -0.006 0.000 0.254 229 T C 0.450 175.100 174.700 -0.084 0.000 0.961 229 T CA 0.564 62.606 62.100 -0.096 0.000 0.915 229 T CB 0.078 68.867 68.868 -0.133 0.000 1.186 229 T HN 0.071 nan 8.240 nan 0.000 0.505 230 N N 0.989 119.634 118.700 -0.091 0.000 2.909 230 N HA -0.136 4.601 4.740 -0.006 0.000 0.242 230 N C -0.488 174.983 175.510 -0.065 0.000 0.975 230 N CA 1.367 54.380 53.050 -0.062 0.000 0.921 230 N CB -0.897 37.568 38.487 -0.037 0.000 1.112 230 N HN 0.659 nan 8.380 nan 0.000 0.581 231 E N -0.642 119.497 120.200 -0.103 0.000 2.264 231 E HA 0.519 4.865 4.350 -0.006 0.000 0.260 231 E C -0.408 176.109 176.600 -0.138 0.000 0.961 231 E CA -0.758 55.590 56.400 -0.087 0.000 0.834 231 E CB 1.416 31.074 29.700 -0.070 0.000 1.230 231 E HN 0.150 nan 8.360 nan 0.000 0.412 232 S N 0.252 115.914 115.700 -0.063 0.000 2.614 232 S HA 0.256 4.722 4.470 -0.006 0.000 0.265 232 S C -0.659 173.924 174.600 -0.027 0.000 1.303 232 S CA -0.565 57.625 58.200 -0.017 0.000 1.000 232 S CB 0.193 63.426 63.200 0.054 0.000 0.935 232 S HN 0.270 nan 8.310 nan 0.000 0.551 233 F N 2.070 122.081 119.950 0.102 0.000 2.456 233 F HA 0.175 4.699 4.527 -0.006 0.000 0.358 233 F C 1.011 176.924 175.800 0.189 0.000 1.095 233 F CA -0.223 57.886 58.000 0.182 0.000 1.216 233 F CB 0.463 39.606 39.000 0.237 0.000 1.125 233 F HN 0.435 nan 8.300 nan 0.000 0.549 234 D N 4.748 125.403 120.400 0.425 0.000 2.339 234 D HA 0.169 4.805 4.640 -0.006 0.000 0.241 234 D C 0.179 176.641 176.300 0.270 0.000 1.183 234 D CA 0.010 54.239 54.000 0.383 0.000 0.859 234 D CB 0.747 41.840 40.800 0.488 0.000 1.067 234 D HN 0.526 nan 8.370 nan 0.000 0.484 235 L N 2.435 123.721 121.223 0.105 0.000 2.741 235 L HA 0.146 4.482 4.340 -0.006 0.000 0.237 235 L C 0.859 177.661 176.870 -0.113 0.000 1.178 235 L CA -0.333 54.459 54.840 -0.080 0.000 0.973 235 L CB 0.023 42.053 42.059 -0.049 0.000 1.255 235 L HN 0.135 nan 8.230 nan 0.000 0.498 236 S N -0.844 114.778 115.700 -0.130 0.000 2.573 236 S HA 0.114 4.581 4.470 -0.006 0.000 0.277 236 S C 0.358 174.681 174.600 -0.461 0.000 1.346 236 S CA -0.234 57.721 58.200 -0.408 0.000 1.034 236 S CB 0.220 63.025 63.200 -0.657 0.000 0.879 236 S HN 0.381 nan 8.310 nan 0.000 0.528 237 Y N -1.636 118.463 120.300 -0.335 0.000 4.897 237 Y HA -0.250 4.297 4.550 -0.005 0.000 0.263 237 Y C 1.022 176.564 175.900 -0.596 0.000 0.945 237 Y CA 0.795 58.606 58.100 -0.481 0.000 1.858 237 Y CB -2.147 35.952 38.460 -0.603 0.000 1.296 237 Y HN 0.685 nan 8.280 nan 0.000 0.490 238 S N 0.355 115.918 115.700 -0.229 0.000 2.489 238 S HA 0.489 4.955 4.470 -0.006 0.000 0.277 238 S C 1.112 175.667 174.600 -0.076 0.000 1.230 238 S CA -0.071 58.060 58.200 -0.114 0.000 1.053 238 S CB 1.313 64.456 63.200 -0.095 0.000 0.955 238 S HN 0.138 nan 8.310 nan 0.000 0.488 239 V N 6.284 126.182 119.914 -0.026 0.000 2.323 239 V HA -0.070 4.047 4.120 -0.006 0.000 0.244 239 V C 1.815 177.923 176.094 0.024 0.000 1.041 239 V CA 1.558 63.871 62.300 0.021 0.000 1.025 239 V CB -0.544 31.326 31.823 0.079 0.000 0.656 239 V HN 0.853 nan 8.190 nan 0.000 0.451 240 L N 0.215 121.432 121.223 -0.010 0.000 2.660 240 L HA 0.123 4.460 4.340 -0.006 0.000 0.238 240 L C 1.346 178.164 176.870 -0.086 0.000 1.161 240 L CA 0.048 54.838 54.840 -0.083 0.000 0.937 240 L CB -0.637 41.334 42.059 -0.147 0.000 1.122 240 L HN 0.221 nan 8.230 nan 0.000 0.435 241 R N 0.576 121.045 120.500 -0.051 0.000 2.924 241 R HA 0.012 4.349 4.340 -0.006 0.000 0.272 241 R C 0.500 176.773 176.300 -0.045 0.000 1.012 241 R CA 0.213 56.285 56.100 -0.046 0.000 1.171 241 R CB 0.545 30.821 30.300 -0.040 0.000 1.086 241 R HN 0.122 nan 8.270 nan 0.000 0.489 242 S N 1.256 116.948 115.700 -0.012 0.000 2.508 242 S HA 0.290 4.756 4.470 -0.006 0.000 0.284 242 S C -0.430 174.226 174.600 0.093 0.000 1.192 242 S CA -0.932 57.289 58.200 0.035 0.000 1.070 242 S CB 1.299 64.555 63.200 0.094 0.000 1.004 242 S HN 0.350 nan 8.310 nan 0.000 0.493 243 V N 4.207 124.222 119.914 0.169 0.000 2.686 243 V HA 0.273 4.389 4.120 -0.006 0.000 0.295 243 V C 1.069 177.292 176.094 0.215 0.000 1.055 243 V CA -0.450 61.976 62.300 0.210 0.000 1.050 243 V CB 1.304 33.310 31.823 0.304 0.000 0.984 243 V HN 1.002 nan 8.190 nan 0.000 0.482 244 S N 4.848 120.647 115.700 0.164 0.000 2.560 244 S HA 0.124 4.590 4.470 -0.006 0.000 0.284 244 S C -1.334 173.359 174.600 0.155 0.000 1.327 244 S CA -0.746 57.537 58.200 0.139 0.000 1.055 244 S CB 0.900 64.173 63.200 0.122 0.000 0.868 244 S HN 0.641 nan 8.310 nan 0.000 0.506 245 P HA -0.057 nan 4.420 nan 0.000 0.217 245 P C 1.508 178.863 177.300 0.092 0.000 1.151 245 P CA 0.642 63.782 63.100 0.066 0.000 0.828 245 P CB 0.010 31.729 31.700 0.032 0.000 0.788 246 I N -0.627 120.012 120.570 0.114 0.000 2.151 246 I HA -0.270 3.897 4.170 -0.006 0.000 0.243 246 I C 2.323 178.563 176.117 0.205 0.000 1.080 246 I CA 2.066 63.451 61.300 0.142 0.000 1.339 246 I CB -1.652 36.434 38.000 0.144 0.000 1.039 246 I HN 0.115 nan 8.210 nan 0.000 0.409 247 H N -0.102 119.041 119.070 0.121 0.000 2.495 247 H HA -0.055 4.497 4.556 -0.006 0.000 0.287 247 H C 2.333 177.737 175.328 0.126 0.000 1.033 247 H CA 1.384 57.501 56.048 0.116 0.000 1.307 247 H CB 0.137 29.930 29.762 0.051 0.000 1.401 247 H HN 0.273 nan 8.280 nan 0.000 0.555 248 C N -0.004 119.349 119.300 0.088 0.000 2.476 248 C HA -0.067 4.389 4.460 -0.006 0.000 0.278 248 C C 2.587 177.577 174.990 0.001 0.000 1.274 248 C CA 1.092 60.126 59.018 0.027 0.000 1.713 248 C CB -0.551 27.221 27.740 0.052 0.000 2.039 248 C HN 0.726 nan 8.230 nan 0.000 0.484 249 E N -0.562 119.656 120.200 0.030 0.000 2.130 249 E HA -0.286 4.060 4.350 -0.006 0.000 0.196 249 E C 1.827 178.443 176.600 0.027 0.000 0.998 249 E CA 1.533 57.945 56.400 0.021 0.000 0.806 249 E CB -0.285 29.432 29.700 0.029 0.000 0.738 249 E HN 0.804 nan 8.360 nan 0.000 0.459 250 Y N 0.714 120.961 120.300 -0.088 0.000 2.070 250 Y HA -0.245 4.302 4.550 -0.005 0.000 0.279 250 Y C 2.239 178.046 175.900 -0.155 0.000 1.134 250 Y CA 1.758 59.793 58.100 -0.108 0.000 1.113 250 Y CB -0.181 38.193 38.460 -0.144 0.000 0.981 250 Y HN 0.018 nan 8.280 nan 0.000 0.487 251 L N -0.217 121.021 121.223 0.025 0.000 2.127 251 L HA -0.268 4.068 4.340 -0.006 0.000 0.211 251 L C 2.458 179.313 176.870 -0.025 0.000 1.089 251 L CA 1.908 56.703 54.840 -0.074 0.000 0.757 251 L CB -0.823 41.090 42.059 -0.245 0.000 0.899 251 L HN 0.483 nan 8.230 nan 0.000 0.434 252 T N -3.868 110.677 114.554 -0.016 0.000 2.770 252 T HA -0.099 4.248 4.350 -0.006 0.000 0.263 252 T C 1.621 176.317 174.700 -0.006 0.000 1.039 252 T CA 1.071 63.166 62.100 -0.008 0.000 1.142 252 T CB -0.455 68.407 68.868 -0.009 0.000 0.868 252 T HN 0.178 nan 8.240 nan 0.000 0.435 253 N N 0.945 119.632 118.700 -0.021 0.000 2.513 253 N HA 0.097 4.833 4.740 -0.006 0.000 0.187 253 N C 1.470 176.973 175.510 -0.012 0.000 1.056 253 N CA 0.773 53.798 53.050 -0.041 0.000 0.907 253 N CB -0.447 37.975 38.487 -0.109 0.000 0.954 253 N HN 0.477 nan 8.380 nan 0.000 0.445 254 M N -1.195 118.422 119.600 0.028 0.000 2.441 254 M HA 0.164 4.640 4.480 -0.006 0.000 0.244 254 M C 0.391 176.734 176.300 0.071 0.000 1.122 254 M CA 0.009 55.361 55.300 0.086 0.000 1.041 254 M CB 0.514 33.202 32.600 0.145 0.000 1.438 254 M HN 0.147 nan 8.290 nan 0.000 0.484 255 G N 1.972 110.793 108.800 0.035 0.000 2.324 255 G HA2 -0.171 3.786 3.960 -0.006 0.000 0.292 255 G HA3 -0.171 3.786 3.960 -0.006 0.000 0.292 255 G C -0.608 174.306 174.900 0.023 0.000 1.079 255 G CA -0.162 44.955 45.100 0.028 0.000 1.026 255 G HN 0.335 nan 8.290 nan 0.000 0.506 256 V N 0.244 120.156 119.914 -0.004 0.000 2.638 256 V HA 0.566 4.682 4.120 -0.006 0.000 0.306 256 V C 1.039 177.121 176.094 -0.020 0.000 1.052 256 V CA -0.867 61.413 62.300 -0.033 0.000 0.885 256 V CB 1.806 33.535 31.823 -0.156 0.000 0.999 256 V HN 0.377 nan 8.190 nan 0.000 0.424 257 R N 1.576 122.088 120.500 0.021 0.000 2.250 257 R HA 0.570 4.907 4.340 -0.006 0.000 0.194 257 R C 0.474 176.807 176.300 0.056 0.000 0.927 257 R CA 0.749 56.874 56.100 0.042 0.000 1.052 257 R CB 1.257 31.590 30.300 0.054 0.000 1.055 257 R HN 0.819 nan 8.270 nan 0.000 0.537 258 A N -0.193 122.673 122.820 0.076 0.000 2.437 258 A HA 0.736 5.052 4.320 -0.006 0.000 0.288 258 A C -0.847 176.832 177.584 0.158 0.000 1.201 258 A CA -0.441 51.655 52.037 0.099 0.000 0.795 258 A CB 2.087 21.117 19.000 0.051 0.000 1.359 258 A HN 0.015 nan 8.150 nan 0.000 0.435 259 S N -0.769 115.070 115.700 0.232 0.000 2.611 259 S HA 0.777 5.244 4.470 -0.006 0.000 0.268 259 S C -1.574 173.121 174.600 0.157 0.000 1.156 259 S CA -0.286 58.026 58.200 0.186 0.000 0.817 259 S CB 1.353 64.596 63.200 0.072 0.000 1.122 259 S HN 1.423 nan 8.310 nan 0.000 0.466 260 M N 2.714 122.283 119.600 -0.052 0.000 2.525 260 M HA 0.332 4.809 4.480 -0.006 0.000 0.286 260 M C -2.204 173.984 176.300 -0.188 0.000 1.019 260 M CA -0.183 55.048 55.300 -0.115 0.000 0.865 260 M CB 1.379 33.889 32.600 -0.150 0.000 1.851 260 M HN 0.753 nan 8.290 nan 0.000 0.544 261 S N 4.981 120.602 115.700 -0.131 0.000 2.594 261 S HA 0.735 5.202 4.470 -0.006 0.000 0.296 261 S C -0.829 173.736 174.600 -0.058 0.000 1.124 261 S CA -0.934 57.187 58.200 -0.133 0.000 1.011 261 S CB 1.738 64.801 63.200 -0.227 0.000 1.016 261 S HN 0.564 nan 8.310 nan 0.000 0.485 262 I N 2.534 123.118 120.570 0.024 0.000 2.315 262 I HA 0.347 4.514 4.170 -0.006 0.000 0.291 262 I C 0.547 176.770 176.117 0.176 0.000 1.006 262 I CA -0.331 61.040 61.300 0.119 0.000 1.265 262 I CB 0.862 38.966 38.000 0.173 0.000 1.387 262 I HN 0.613 nan 8.210 nan 0.000 0.475 263 S N 6.730 122.495 115.700 0.109 0.000 2.592 263 S HA 0.561 5.028 4.470 -0.006 0.000 0.271 263 S C 0.080 174.750 174.600 0.118 0.000 1.326 263 S CA -0.303 57.957 58.200 0.100 0.000 1.024 263 S CB 1.154 64.397 63.200 0.071 0.000 0.921 263 S HN 0.391 nan 8.310 nan 0.000 0.527 264 I N 2.434 123.080 120.570 0.126 0.000 2.439 264 I HA 0.355 4.522 4.170 -0.006 0.000 0.285 264 I C -1.185 175.003 176.117 0.118 0.000 1.021 264 I CA -0.574 60.794 61.300 0.114 0.000 1.091 264 I CB 1.719 39.839 38.000 0.200 0.000 1.242 264 I HN 0.232 nan 8.210 nan 0.000 0.439 265 V N 7.052 126.988 119.914 0.037 0.000 2.444 265 V HA 0.553 4.670 4.120 -0.006 0.000 0.294 265 V C -0.199 175.889 176.094 -0.010 0.000 1.022 265 V CA -0.755 61.564 62.300 0.033 0.000 0.850 265 V CB 1.877 33.703 31.823 0.006 0.000 0.992 265 V HN 0.500 nan 8.190 nan 0.000 0.426 266 V N 2.192 122.123 119.914 0.029 0.000 2.823 266 V HA 1.085 5.201 4.120 -0.006 0.000 0.312 266 V C 0.519 176.627 176.094 0.024 0.000 1.072 266 V CA 0.333 62.621 62.300 -0.020 0.000 0.937 266 V CB 1.109 32.871 31.823 -0.101 0.000 1.013 266 V HN 1.695 nan 8.190 nan 0.000 0.430 267 G N 3.333 112.134 108.800 0.002 0.000 2.566 267 G HA2 -0.032 3.925 3.960 -0.006 0.000 0.280 267 G HA3 -0.032 3.925 3.960 -0.006 0.000 0.280 267 G C 0.742 175.641 174.900 -0.002 0.000 1.225 267 G CA 0.335 45.439 45.100 0.007 0.000 0.966 267 G HN 2.335 nan 8.290 nan 0.000 0.560 268 G N -0.131 108.666 108.800 -0.005 0.000 3.609 268 G HA2 0.531 4.487 3.960 -0.006 0.000 0.280 268 G HA3 0.531 4.487 3.960 -0.006 0.000 0.280 268 G C 0.348 175.234 174.900 -0.023 0.000 1.155 268 G CA 0.713 45.805 45.100 -0.014 0.000 0.876 268 G HN 0.627 nan 8.290 nan 0.000 0.535 269 K N -0.221 120.172 120.400 -0.012 0.000 2.267 269 K HA 0.495 4.811 4.320 -0.006 0.000 0.246 269 K C -1.133 175.455 176.600 -0.020 0.000 0.954 269 K CA -1.031 55.238 56.287 -0.031 0.000 0.824 269 K CB 2.478 34.963 32.500 -0.024 0.000 1.167 269 K HN -0.007 nan 8.250 nan 0.000 0.431 270 L N 2.725 123.883 121.223 -0.109 0.000 2.407 270 L HA 0.107 4.444 4.340 -0.006 0.000 0.282 270 L C -0.053 176.745 176.870 -0.120 0.000 1.110 270 L CA 0.415 55.161 54.840 -0.156 0.000 0.863 270 L CB 0.056 41.897 42.059 -0.364 0.000 1.207 270 L HN 0.775 nan 8.230 nan 0.000 0.454 271 W N 5.636 126.883 121.300 -0.088 0.000 2.942 271 W HA 0.474 5.131 4.660 -0.004 0.000 0.263 271 W C 0.701 177.327 176.519 0.180 0.000 1.296 271 W CA 0.632 57.991 57.345 0.023 0.000 1.504 271 W CB 0.513 29.971 29.460 -0.003 0.000 1.096 271 W HN 0.630 nan 8.180 nan 0.000 0.639 272 G N 0.877 109.931 108.800 0.424 0.000 2.316 272 G HA2 0.407 4.364 3.960 -0.006 0.000 0.296 272 G HA3 0.407 4.364 3.960 -0.006 0.000 0.296 272 G C -2.183 172.886 174.900 0.283 0.000 1.399 272 G CA -0.478 44.847 45.100 0.374 0.000 0.833 272 G HN 0.651 nan 8.290 nan 0.000 0.565 273 L N -2.430 118.874 121.223 0.134 0.000 2.643 273 L HA 0.818 5.155 4.340 -0.006 0.000 0.257 273 L C -1.672 175.140 176.870 -0.097 0.000 0.922 273 L CA -1.049 53.822 54.840 0.050 0.000 0.909 273 L CB 1.022 43.142 42.059 0.102 0.000 1.424 273 L HN 0.507 nan 8.230 nan 0.000 0.422 274 F N 1.500 121.449 119.950 -0.003 0.000 2.456 274 F HA 0.639 5.163 4.527 -0.005 0.000 0.358 274 F C 1.108 176.800 175.800 -0.180 0.000 1.095 274 F CA 0.176 58.121 58.000 -0.092 0.000 1.216 274 F CB 1.488 40.431 39.000 -0.094 0.000 1.125 274 F HN 0.680 nan 8.300 nan 0.000 0.549 275 S N 3.006 118.644 115.700 -0.103 0.000 2.473 275 S HA 0.644 5.110 4.470 -0.006 0.000 0.307 275 S C -0.971 173.450 174.600 -0.298 0.000 1.094 275 S CA -0.594 57.478 58.200 -0.212 0.000 1.070 275 S CB 0.382 63.404 63.200 -0.297 0.000 1.019 275 S HN 0.706 nan 8.310 nan 0.000 0.480 276 C N 4.874 123.986 119.300 -0.313 0.000 2.355 276 C HA 0.714 5.171 4.460 -0.006 0.000 0.332 276 C C -0.384 174.604 174.990 -0.004 0.000 1.255 276 C CA -0.737 58.006 59.018 -0.459 0.000 1.792 276 C CB -0.023 26.979 27.740 -1.231 0.000 2.300 276 C HN 0.883 nan 8.230 nan 0.000 0.515 277 H N 0.114 119.198 119.070 0.024 0.000 2.679 277 H HA 0.636 5.188 4.556 -0.006 0.000 0.367 277 H C -0.854 174.728 175.328 0.423 0.000 1.162 277 H CA -0.378 55.784 56.048 0.190 0.000 1.181 277 H CB 1.227 30.993 29.762 0.006 0.000 1.693 277 H HN 0.786 nan 8.280 nan 0.000 0.538 278 H N 1.260 120.493 119.070 0.270 0.000 2.947 278 H HA 0.181 4.734 4.556 -0.005 0.000 0.354 278 H C 0.291 175.642 175.328 0.039 0.000 1.085 278 H CA -0.556 55.552 56.048 0.101 0.000 1.253 278 H CB 1.008 30.724 29.762 -0.077 0.000 1.757 278 H HN 0.393 nan 8.280 nan 0.000 0.523 279 M N 1.607 121.150 119.600 -0.095 0.000 2.659 279 M HA 0.105 4.581 4.480 -0.006 0.000 0.243 279 M C 0.041 176.364 176.300 0.038 0.000 1.111 279 M CA 0.376 55.661 55.300 -0.024 0.000 1.070 279 M CB -1.161 31.399 32.600 -0.068 0.000 1.525 279 M HN 0.494 nan 8.290 nan 0.000 0.517 280 S N -1.246 114.542 115.700 0.147 0.000 2.661 280 S HA 0.733 5.200 4.470 -0.006 0.000 0.285 280 S C -2.947 171.737 174.600 0.140 0.000 1.138 280 S CA -1.648 56.639 58.200 0.144 0.000 0.855 280 S CB 1.574 64.854 63.200 0.134 0.000 1.136 280 S HN -0.105 nan 8.310 nan 0.000 0.484 281 P HA 0.355 nan 4.420 nan 0.000 0.267 281 P C -0.802 176.407 177.300 -0.152 0.000 1.200 281 P CA 0.017 63.101 63.100 -0.026 0.000 0.772 281 P CB 0.298 31.987 31.700 -0.019 0.000 0.855 282 K N 2.036 122.307 120.400 -0.215 0.000 2.556 282 K HA 0.723 5.040 4.320 -0.006 0.000 0.274 282 K C -2.093 174.350 176.600 -0.262 0.000 0.966 282 K CA -0.824 55.238 56.287 -0.376 0.000 0.865 282 K CB 1.440 33.474 32.500 -0.778 0.000 1.444 282 K HN 0.351 nan 8.250 nan 0.000 0.433 283 L N 4.258 125.332 121.223 -0.249 0.000 2.676 283 L HA 0.438 4.775 4.340 -0.006 0.000 0.262 283 L C -1.721 175.089 176.870 -0.098 0.000 0.965 283 L CA -0.698 54.035 54.840 -0.178 0.000 0.920 283 L CB 1.106 43.044 42.059 -0.202 0.000 1.260 283 L HN 0.577 nan 8.230 nan 0.000 0.422 284 I N 6.510 127.073 120.570 -0.011 0.000 2.395 284 I HA 0.402 4.568 4.170 -0.006 0.000 0.289 284 I C -1.939 174.198 176.117 0.033 0.000 1.023 284 I CA -1.950 59.376 61.300 0.044 0.000 1.350 284 I CB 0.633 38.729 38.000 0.161 0.000 1.409 284 I HN 0.408 nan 8.210 nan 0.000 0.507 285 P HA 0.022 nan 4.420 nan 0.000 0.271 285 P C 0.445 177.796 177.300 0.085 0.000 1.218 285 P CA -0.146 62.987 63.100 0.054 0.000 0.780 285 P CB 0.392 32.112 31.700 0.033 0.000 0.901 286 Y N 6.100 126.409 120.300 0.014 0.000 2.002 286 Y HA -0.272 4.274 4.550 -0.006 0.000 0.268 286 Y C -0.894 175.011 175.900 0.008 0.000 1.177 286 Y CA 2.807 60.916 58.100 0.014 0.000 1.111 286 Y CB -2.285 36.182 38.460 0.012 0.000 0.952 286 Y HN 0.431 nan 8.280 nan 0.000 0.491 287 P HA -0.206 nan 4.420 nan 0.000 0.216 287 P C 1.983 179.271 177.300 -0.021 0.000 1.153 287 P CA 2.400 65.483 63.100 -0.029 0.000 0.858 287 P CB -0.136 31.607 31.700 0.071 0.000 0.789 288 V N 0.164 120.011 119.914 -0.112 0.000 2.295 288 V HA -0.245 3.872 4.120 -0.006 0.000 0.246 288 V C 2.481 178.245 176.094 -0.549 0.000 1.049 288 V CA 1.780 63.870 62.300 -0.350 0.000 1.024 288 V CB -1.094 30.544 31.823 -0.308 0.000 0.648 288 V HN 0.066 nan 8.190 nan 0.000 0.447 289 R N -0.423 119.907 120.500 -0.283 0.000 2.133 289 R HA -0.198 4.139 4.340 -0.006 0.000 0.247 289 R C 2.111 178.293 176.300 -0.197 0.000 1.151 289 R CA 1.505 57.517 56.100 -0.146 0.000 0.971 289 R CB -0.430 29.837 30.300 -0.054 0.000 0.866 289 R HN 0.384 nan 8.270 nan 0.000 0.447 290 M N 0.312 119.744 119.600 -0.279 0.000 2.557 290 M HA -0.014 4.463 4.480 -0.006 0.000 0.259 290 M C 1.903 178.193 176.300 -0.016 0.000 1.086 290 M CA 1.161 56.356 55.300 -0.175 0.000 1.096 290 M CB -0.490 31.945 32.600 -0.276 0.000 1.424 290 M HN 0.026 nan 8.290 nan 0.000 0.488 291 S N 0.629 116.186 115.700 -0.239 0.000 2.348 291 S HA -0.011 4.456 4.470 -0.006 0.000 0.219 291 S C 1.676 176.184 174.600 -0.153 0.000 1.033 291 S CA 0.791 58.709 58.200 -0.470 0.000 0.974 291 S CB -0.516 62.195 63.200 -0.815 0.000 0.868 291 S HN 0.308 nan 8.310 nan 0.000 0.459 292 F N 2.455 122.356 119.950 -0.082 0.000 2.202 292 F HA -0.076 4.448 4.527 -0.005 0.000 0.301 292 F C 2.647 178.508 175.800 0.102 0.000 1.082 292 F CA 0.506 58.519 58.000 0.021 0.000 1.313 292 F CB -1.323 37.651 39.000 -0.043 0.000 1.024 292 F HN 0.288 nan 8.300 nan 0.000 0.495 293 Q N 1.041 120.947 119.800 0.177 0.000 2.002 293 Q HA -0.241 4.096 4.340 -0.006 0.000 0.204 293 Q C 2.354 178.411 176.000 0.095 0.000 0.988 293 Q CA 2.545 58.410 55.803 0.104 0.000 0.843 293 Q CB -0.514 28.239 28.738 0.026 0.000 0.908 293 Q HN 0.573 nan 8.270 nan 0.000 0.420 294 I N -0.321 120.299 120.570 0.085 0.000 2.286 294 I HA -0.199 3.968 4.170 -0.006 0.000 0.248 294 I C 2.114 178.278 176.117 0.078 0.000 1.115 294 I CA 1.306 62.645 61.300 0.065 0.000 1.392 294 I CB -0.359 37.679 38.000 0.063 0.000 1.065 294 I HN 0.403 nan 8.210 nan 0.000 0.418 295 F N 1.859 121.809 119.950 0.001 0.000 2.043 295 F HA -0.349 4.175 4.527 -0.006 0.000 0.297 295 F C 2.795 178.597 175.800 0.005 0.000 1.118 295 F CA 2.260 60.260 58.000 0.000 0.000 1.202 295 F CB -1.225 37.792 39.000 0.029 0.000 0.965 295 F HN 0.283 nan 8.300 nan 0.000 0.482 296 S N -0.254 115.330 115.700 -0.194 0.000 2.372 296 S HA -0.400 4.067 4.470 -0.006 0.000 0.227 296 S C 2.231 176.694 174.600 -0.228 0.000 1.044 296 S CA 1.964 60.000 58.200 -0.274 0.000 1.050 296 S CB -0.950 62.247 63.200 -0.006 0.000 0.901 296 S HN 0.786 nan 8.310 nan 0.000 0.447 297 Q N 0.035 119.763 119.800 -0.121 0.000 2.030 297 Q HA -0.124 4.213 4.340 -0.006 0.000 0.204 297 Q C 2.128 178.049 176.000 -0.132 0.000 0.986 297 Q CA 2.389 58.137 55.803 -0.092 0.000 0.843 297 Q CB -0.389 28.323 28.738 -0.042 0.000 0.904 297 Q HN 0.525 nan 8.270 nan 0.000 0.420 298 V N 0.744 120.569 119.914 -0.149 0.000 2.255 298 V HA -0.330 3.787 4.120 -0.006 0.000 0.247 298 V C 2.648 178.617 176.094 -0.207 0.000 1.051 298 V CA 1.757 63.972 62.300 -0.141 0.000 1.018 298 V CB -0.901 30.865 31.823 -0.096 0.000 0.641 298 V HN 0.739 nan 8.190 nan 0.000 0.445 299 C N -0.224 118.842 119.300 -0.389 0.000 2.413 299 C HA -0.173 4.284 4.460 -0.006 0.000 0.276 299 C C 3.167 178.006 174.990 -0.250 0.000 1.248 299 C CA 1.700 60.483 59.018 -0.392 0.000 1.742 299 C CB -1.125 26.145 27.740 -0.782 0.000 2.017 299 C HN 0.617 nan 8.230 nan 0.000 0.481 300 S N 0.481 116.046 115.700 -0.225 0.000 2.359 300 S HA -0.090 4.376 4.470 -0.006 0.000 0.224 300 S C 2.200 176.690 174.600 -0.183 0.000 1.035 300 S CA 1.556 59.650 58.200 -0.176 0.000 1.018 300 S CB -0.553 62.576 63.200 -0.119 0.000 0.876 300 S HN 0.859 nan 8.310 nan 0.000 0.448 301 A N 1.425 124.157 122.820 -0.148 0.000 1.841 301 A HA -0.055 4.262 4.320 -0.006 0.000 0.214 301 A C 1.990 179.494 177.584 -0.134 0.000 1.195 301 A CA 1.350 53.313 52.037 -0.123 0.000 0.611 301 A CB -0.828 18.117 19.000 -0.090 0.000 0.835 301 A HN 0.375 nan 8.150 nan 0.000 0.443 302 I N -0.060 120.434 120.570 -0.126 0.000 2.185 302 I HA -0.245 3.921 4.170 -0.006 0.000 0.246 302 I C 2.429 178.457 176.117 -0.148 0.000 1.088 302 I CA 1.214 62.450 61.300 -0.108 0.000 1.347 302 I CB -0.625 37.327 38.000 -0.080 0.000 1.041 302 I HN 0.135 nan 8.210 nan 0.000 0.415 303 V N 0.027 119.807 119.914 -0.224 0.000 2.427 303 V HA -0.276 3.840 4.120 -0.006 0.000 0.248 303 V C 2.483 178.350 176.094 -0.378 0.000 1.051 303 V CA 1.972 64.055 62.300 -0.361 0.000 1.048 303 V CB -0.640 30.829 31.823 -0.589 0.000 0.666 303 V HN 0.537 nan 8.190 nan 0.000 0.456 304 E N 0.203 120.220 120.200 -0.305 0.000 2.110 304 E HA -0.246 4.101 4.350 -0.006 0.000 0.193 304 E C 2.420 178.926 176.600 -0.157 0.000 0.988 304 E CA 1.354 57.610 56.400 -0.240 0.000 0.804 304 E CB -0.114 29.485 29.700 -0.168 0.000 0.745 304 E HN 0.445 nan 8.360 nan 0.000 0.458 305 R N -0.412 120.012 120.500 -0.127 0.000 2.093 305 R HA -0.051 4.285 4.340 -0.006 0.000 0.224 305 R C 2.217 178.471 176.300 -0.076 0.000 1.101 305 R CA 0.591 56.640 56.100 -0.084 0.000 0.979 305 R CB -0.047 30.213 30.300 -0.066 0.000 0.877 305 R HN 0.201 nan 8.270 nan 0.000 0.441 306 L N 1.272 122.439 121.223 -0.093 0.000 2.042 306 L HA -0.184 4.153 4.340 -0.006 0.000 0.210 306 L C 2.136 178.970 176.870 -0.061 0.000 1.076 306 L CA 1.780 56.578 54.840 -0.071 0.000 0.749 306 L CB -0.421 41.589 42.059 -0.083 0.000 0.893 306 L HN 0.145 nan 8.230 nan 0.000 0.432 307 E N -0.770 119.374 120.200 -0.094 0.000 2.230 307 E HA -0.161 4.185 4.350 -0.006 0.000 0.192 307 E C 2.057 178.646 176.600 -0.017 0.000 0.987 307 E CA 0.738 57.110 56.400 -0.046 0.000 0.841 307 E CB 0.039 29.691 29.700 -0.079 0.000 0.783 307 E HN 0.717 nan 8.360 nan 0.000 0.481 308 Q N 0.040 119.818 119.800 -0.036 0.000 2.172 308 Q HA -0.019 4.318 4.340 -0.006 0.000 0.200 308 Q C 2.020 178.013 176.000 -0.013 0.000 0.964 308 Q CA 1.424 57.216 55.803 -0.018 0.000 0.855 308 Q CB -0.362 28.361 28.738 -0.026 0.000 0.918 308 Q HN 0.087 nan 8.270 nan 0.000 0.444 309 G N 1.764 110.553 108.800 -0.019 0.000 2.414 309 G HA2 -0.280 3.676 3.960 -0.006 0.000 0.215 309 G HA3 -0.280 3.676 3.960 -0.006 0.000 0.215 309 G C 1.547 176.445 174.900 -0.004 0.000 1.188 309 G CA 0.745 45.837 45.100 -0.013 0.000 0.783 309 G HN 0.358 nan 8.290 nan 0.000 0.537 310 R N 0.143 120.643 120.500 -0.000 0.000 2.094 310 R HA -0.079 4.257 4.340 -0.006 0.000 0.239 310 R C 2.592 178.899 176.300 0.012 0.000 1.137 310 R CA 1.815 57.920 56.100 0.010 0.000 0.943 310 R CB -0.416 29.897 30.300 0.020 0.000 0.850 310 R HN 0.433 nan 8.270 nan 0.000 0.433 311 I N 0.552 121.131 120.570 0.015 0.000 2.394 311 I HA -0.171 3.995 4.170 -0.006 0.000 0.251 311 I C 2.477 178.598 176.117 0.005 0.000 1.136 311 I CA 1.018 62.327 61.300 0.016 0.000 1.425 311 I CB -0.336 37.679 38.000 0.026 0.000 1.079 311 I HN 0.312 nan 8.210 nan 0.000 0.425 312 A N 0.384 123.205 122.820 0.002 0.000 2.070 312 A HA -0.229 4.088 4.320 -0.006 0.000 0.220 312 A C 2.176 179.758 177.584 -0.004 0.000 1.159 312 A CA 1.944 53.979 52.037 -0.003 0.000 0.656 312 A CB -0.377 18.620 19.000 -0.005 0.000 0.800 312 A HN 0.448 nan 8.150 nan 0.000 0.453 313 E N 0.164 120.363 120.200 -0.002 0.000 2.057 313 E HA 0.012 4.358 4.350 -0.006 0.000 0.190 313 E C 1.847 178.445 176.600 -0.003 0.000 0.969 313 E CA 0.719 57.118 56.400 -0.002 0.000 0.812 313 E CB -0.416 29.284 29.700 0.001 0.000 0.777 313 E HN 0.497 nan 8.360 nan 0.000 0.455 314 L N 0.426 121.649 121.223 -0.001 0.000 2.013 314 L HA -0.185 4.151 4.340 -0.006 0.000 0.212 314 L C 2.498 179.361 176.870 -0.011 0.000 1.073 314 L CA 0.996 55.833 54.840 -0.005 0.000 0.753 314 L CB -0.724 41.333 42.059 -0.004 0.000 0.890 314 L HN 0.263 nan 8.230 nan 0.000 0.432 315 L N -0.003 121.214 121.223 -0.011 0.000 2.191 315 L HA -0.179 4.158 4.340 -0.006 0.000 0.212 315 L C 2.697 179.557 176.870 -0.016 0.000 1.103 315 L CA 1.600 56.430 54.840 -0.016 0.000 0.769 315 L CB -0.675 41.376 42.059 -0.013 0.000 0.908 315 L HN 0.160 nan 8.230 nan 0.000 0.438 316 R N -0.988 119.505 120.500 -0.012 0.000 2.057 316 R HA -0.077 4.259 4.340 -0.006 0.000 0.224 316 R C 2.325 178.619 176.300 -0.011 0.000 1.136 316 R CA 1.476 57.569 56.100 -0.011 0.000 0.968 316 R CB -0.348 29.947 30.300 -0.008 0.000 0.863 316 R HN 0.356 nan 8.270 nan 0.000 0.433 317 V N -0.232 119.677 119.914 -0.009 0.000 2.392 317 V HA -0.220 3.896 4.120 -0.006 0.000 0.249 317 V C 2.205 178.292 176.094 -0.011 0.000 1.059 317 V CA 2.490 64.786 62.300 -0.007 0.000 1.051 317 V CB -0.816 31.005 31.823 -0.004 0.000 0.658 317 V HN 0.459 nan 8.190 nan 0.000 0.455 318 S N 1.532 117.221 115.700 -0.017 0.000 2.351 318 S HA -0.249 4.218 4.470 -0.006 0.000 0.220 318 S C 2.207 176.790 174.600 -0.027 0.000 1.035 318 S CA 3.042 61.226 58.200 -0.027 0.000 1.031 318 S CB -1.150 62.027 63.200 -0.037 0.000 0.928 318 S HN 0.950 nan 8.310 nan 0.000 0.433 319 T N 0.779 115.318 114.554 -0.025 0.000 2.674 319 T HA -0.041 4.306 4.350 -0.006 0.000 0.265 319 T C 1.716 176.405 174.700 -0.018 0.000 1.039 319 T CA 1.322 63.408 62.100 -0.024 0.000 1.150 319 T CB -0.871 67.984 68.868 -0.022 0.000 0.864 319 T HN 0.384 nan 8.240 nan 0.000 0.427 320 E N 1.273 121.464 120.200 -0.014 0.000 2.208 320 E HA -0.185 4.162 4.350 -0.006 0.000 0.202 320 E C 2.345 178.939 176.600 -0.009 0.000 1.014 320 E CA 1.013 57.406 56.400 -0.011 0.000 0.819 320 E CB -0.311 29.384 29.700 -0.009 0.000 0.735 320 E HN 0.558 nan 8.360 nan 0.000 0.469 321 R N 0.308 120.803 120.500 -0.008 0.000 2.064 321 R HA -0.041 4.296 4.340 -0.006 0.000 0.228 321 R C 2.562 178.861 176.300 -0.002 0.000 1.144 321 R CA 1.012 57.110 56.100 -0.002 0.000 0.932 321 R CB -0.233 30.067 30.300 -0.000 0.000 0.833 321 R HN 0.068 nan 8.270 nan 0.000 0.429 322 R N 0.607 121.102 120.500 -0.007 0.000 2.136 322 R HA -0.223 4.114 4.340 -0.006 0.000 0.242 322 R C 2.419 178.712 176.300 -0.012 0.000 1.131 322 R CA 2.017 58.113 56.100 -0.007 0.000 0.937 322 R CB -0.726 29.564 30.300 -0.017 0.000 0.863 322 R HN 0.238 nan 8.270 nan 0.000 0.435 323 L N -0.264 120.950 121.223 -0.015 0.000 2.012 323 L HA -0.231 4.105 4.340 -0.006 0.000 0.210 323 L C 2.766 179.626 176.870 -0.017 0.000 1.073 323 L CA 1.463 56.292 54.840 -0.018 0.000 0.748 323 L CB -0.848 41.201 42.059 -0.017 0.000 0.891 323 L HN 0.317 nan 8.230 nan 0.000 0.431 324 A N 0.317 123.129 122.820 -0.013 0.000 1.869 324 A HA -0.270 4.047 4.320 -0.006 0.000 0.218 324 A C 2.318 179.893 177.584 -0.015 0.000 1.203 324 A CA 2.100 54.129 52.037 -0.013 0.000 0.638 324 A CB -1.008 17.987 19.000 -0.008 0.000 0.831 324 A HN 0.403 nan 8.150 nan 0.000 0.450 325 L N -0.693 120.524 121.223 -0.010 0.000 2.042 325 L HA -0.189 4.147 4.340 -0.006 0.000 0.210 325 L C 2.730 179.583 176.870 -0.028 0.000 1.076 325 L CA 2.503 57.337 54.840 -0.010 0.000 0.749 325 L CB -1.253 40.811 42.059 0.009 0.000 0.893 325 L HN 0.453 nan 8.230 nan 0.000 0.432 326 A N 0.046 122.847 122.820 -0.033 0.000 1.877 326 A HA -0.222 4.095 4.320 -0.006 0.000 0.216 326 A C 2.268 179.825 177.584 -0.046 0.000 1.186 326 A CA 1.460 53.468 52.037 -0.048 0.000 0.620 326 A CB -0.534 18.439 19.000 -0.045 0.000 0.822 326 A HN 0.462 nan 8.150 nan 0.000 0.443 327 R N -0.891 119.588 120.500 -0.035 0.000 2.193 327 R HA -0.056 4.281 4.340 -0.006 0.000 0.229 327 R C 2.301 178.582 176.300 -0.032 0.000 1.110 327 R CA 1.306 57.387 56.100 -0.031 0.000 0.988 327 R CB -0.161 30.124 30.300 -0.025 0.000 0.871 327 R HN 0.501 nan 8.270 nan 0.000 0.458 328 R N -0.247 120.232 120.500 -0.034 0.000 2.080 328 R HA 0.078 4.414 4.340 -0.006 0.000 0.222 328 R C 2.233 178.510 176.300 -0.038 0.000 1.107 328 R CA 1.099 57.179 56.100 -0.034 0.000 0.980 328 R CB -0.145 30.135 30.300 -0.033 0.000 0.879 328 R HN 0.126 nan 8.270 nan 0.000 0.439 329 A N 1.224 124.014 122.820 -0.050 0.000 1.840 329 A HA -0.150 4.166 4.320 -0.006 0.000 0.214 329 A C 2.074 179.620 177.584 -0.064 0.000 1.198 329 A CA 1.295 53.291 52.037 -0.068 0.000 0.608 329 A CB -0.519 18.417 19.000 -0.106 0.000 0.839 329 A HN 0.210 nan 8.150 nan 0.000 0.443 330 R N -0.549 119.911 120.500 -0.066 0.000 2.211 330 R HA -0.172 4.165 4.340 -0.006 0.000 0.240 330 R C 0.118 176.395 176.300 -0.039 0.000 1.144 330 R CA 1.815 57.882 56.100 -0.056 0.000 0.992 330 R CB -0.156 30.112 30.300 -0.053 0.000 0.869 330 R HN 0.416 nan 8.270 nan 0.000 0.462 331 D N -0.920 119.460 120.400 -0.033 0.000 2.395 331 D HA 0.211 4.848 4.640 -0.006 0.000 0.213 331 D C -0.547 175.742 176.300 -0.018 0.000 1.110 331 D CA 0.262 54.248 54.000 -0.023 0.000 0.835 331 D CB 1.175 41.962 40.800 -0.022 0.000 0.965 331 D HN 0.286 nan 8.370 nan 0.000 0.505 332 A N 0.095 122.904 122.820 -0.018 0.000 2.350 332 A HA 0.440 4.757 4.320 -0.006 0.000 0.318 332 A C 0.448 178.032 177.584 -0.001 0.000 1.132 332 A CA -0.570 51.463 52.037 -0.007 0.000 0.811 332 A CB 1.569 20.567 19.000 -0.004 0.000 1.313 332 A HN -0.205 nan 8.150 nan 0.000 0.454 333 D N -0.281 120.128 120.400 0.015 0.000 2.277 333 D HA -0.020 4.617 4.640 -0.006 0.000 0.209 333 D C -0.528 175.805 176.300 0.054 0.000 0.970 333 D CA 0.755 54.771 54.000 0.027 0.000 0.874 333 D CB 0.270 41.088 40.800 0.030 0.000 0.982 333 D HN 0.522 nan 8.370 nan 0.000 0.504 334 D N 1.197 121.634 120.400 0.063 0.000 2.402 334 D HA 0.094 4.730 4.640 -0.006 0.000 0.235 334 D C 1.373 177.728 176.300 0.092 0.000 1.226 334 D CA -0.045 54.021 54.000 0.110 0.000 0.918 334 D CB 0.678 41.538 40.800 0.100 0.000 1.043 334 D HN 0.026 nan 8.370 nan 0.000 0.506 335 L N 2.643 123.916 121.223 0.084 0.000 2.102 335 L HA -0.069 4.267 4.340 -0.006 0.000 0.202 335 L C 1.926 178.762 176.870 -0.058 0.000 1.076 335 L CA 0.488 55.288 54.840 -0.067 0.000 0.761 335 L CB -0.387 41.526 42.059 -0.243 0.000 0.921 335 L HN 0.338 nan 8.230 nan 0.000 0.444 336 F N 0.949 120.912 119.950 0.022 0.000 2.091 336 F HA -0.175 4.349 4.527 -0.006 0.000 0.299 336 F C 2.563 178.390 175.800 0.046 0.000 1.103 336 F CA 1.582 59.606 58.000 0.040 0.000 1.228 336 F CB -1.270 37.758 39.000 0.047 0.000 0.984 336 F HN 0.053 nan 8.300 nan 0.000 0.477 337 G N -1.022 107.926 108.800 0.246 0.000 2.448 337 G HA2 -0.014 3.943 3.960 -0.006 0.000 0.218 337 G HA3 -0.014 3.943 3.960 -0.006 0.000 0.218 337 G C 1.755 176.750 174.900 0.157 0.000 1.135 337 G CA 0.698 45.905 45.100 0.178 0.000 0.784 337 G HN 0.473 nan 8.290 nan 0.000 0.543 338 A N 0.168 123.047 122.820 0.099 0.000 1.943 338 A HA 0.366 4.683 4.320 -0.006 0.000 0.213 338 A C 2.156 179.772 177.584 0.053 0.000 1.181 338 A CA 0.331 52.403 52.037 0.058 0.000 0.653 338 A CB -0.164 18.840 19.000 0.008 0.000 0.833 338 A HN 0.289 nan 8.150 nan 0.000 0.451 339 L N -1.102 120.133 121.223 0.019 0.000 2.554 339 L HA 0.074 4.411 4.340 -0.006 0.000 0.226 339 L C 1.875 178.773 176.870 0.047 0.000 1.137 339 L CA 0.750 55.586 54.840 -0.006 0.000 0.863 339 L CB 0.083 42.080 42.059 -0.103 0.000 0.985 339 L HN 0.457 nan 8.230 nan 0.000 0.451 340 A N -3.053 119.823 122.820 0.094 0.000 2.628 340 A HA 0.083 4.400 4.320 -0.006 0.000 0.267 340 A C 0.383 178.030 177.584 0.105 0.000 1.159 340 A CA -0.368 51.727 52.037 0.097 0.000 0.972 340 A CB -0.071 18.989 19.000 0.101 0.000 1.211 340 A HN 0.200 nan 8.150 nan 0.000 0.576 341 H N 1.812 120.913 119.070 0.052 0.000 3.082 341 H HA 0.092 4.645 4.556 -0.005 0.000 0.275 341 H C -1.794 173.566 175.328 0.052 0.000 1.032 341 H CA -1.007 55.070 56.048 0.049 0.000 1.477 341 H CB 1.041 30.826 29.762 0.040 0.000 1.520 341 H HN 0.068 nan 8.280 nan 0.000 0.521 342 P HA -0.159 nan 4.420 nan 0.000 0.223 342 P C 0.363 177.736 177.300 0.122 0.000 1.140 342 P CA 1.193 64.329 63.100 0.061 0.000 0.783 342 P CB 0.439 32.141 31.700 0.004 0.000 0.759 343 D N -1.712 118.815 120.400 0.212 0.000 2.490 343 D HA -0.023 4.613 4.640 -0.006 0.000 0.244 343 D C 0.908 177.292 176.300 0.141 0.000 0.979 343 D CA 0.592 54.700 54.000 0.181 0.000 0.924 343 D CB -0.895 40.036 40.800 0.218 0.000 1.075 343 D HN 0.043 nan 8.370 nan 0.000 0.488 344 D N 1.057 121.553 120.400 0.160 0.000 2.346 344 D HA 0.161 4.797 4.640 -0.006 0.000 0.248 344 D C 0.731 177.102 176.300 0.120 0.000 1.173 344 D CA 0.061 54.117 54.000 0.094 0.000 0.878 344 D CB -0.379 40.444 40.800 0.039 0.000 0.919 344 D HN 0.057 nan 8.370 nan 0.000 0.513 345 G N 0.590 109.474 108.800 0.140 0.000 2.491 345 G HA2 0.163 4.119 3.960 -0.006 0.000 0.238 345 G HA3 0.163 4.119 3.960 -0.006 0.000 0.238 345 G C 1.467 176.463 174.900 0.159 0.000 1.277 345 G CA -0.530 44.654 45.100 0.139 0.000 0.851 345 G HN 0.341 nan 8.290 nan 0.000 0.573 346 I N -0.056 120.619 120.570 0.176 0.000 2.394 346 I HA -0.037 4.130 4.170 -0.006 0.000 0.251 346 I C 2.406 178.840 176.117 0.528 0.000 1.136 346 I CA 1.400 62.894 61.300 0.324 0.000 1.425 346 I CB -0.146 37.965 38.000 0.184 0.000 1.079 346 I HN 0.389 nan 8.210 nan 0.000 0.425 347 A N 1.463 124.493 122.820 0.350 0.000 2.131 347 A HA 0.014 4.331 4.320 -0.006 0.000 0.220 347 A C 2.428 180.151 177.584 0.231 0.000 1.158 347 A CA 1.653 53.892 52.037 0.337 0.000 0.665 347 A CB -0.799 18.330 19.000 0.214 0.000 0.795 347 A HN 0.658 nan 8.150 nan 0.000 0.460 348 A N -0.821 122.108 122.820 0.181 0.000 2.123 348 A HA 0.286 4.602 4.320 -0.006 0.000 0.214 348 A C 1.959 179.582 177.584 0.064 0.000 1.152 348 A CA 0.828 52.929 52.037 0.107 0.000 0.728 348 A CB -0.294 18.761 19.000 0.092 0.000 0.814 348 A HN 0.476 nan 8.150 nan 0.000 0.464 349 L N -0.674 120.589 121.223 0.066 0.000 2.130 349 L HA 0.217 4.554 4.340 -0.006 0.000 0.200 349 L C 0.522 177.291 176.870 -0.169 0.000 1.075 349 L CA 0.569 55.380 54.840 -0.049 0.000 0.768 349 L CB -0.305 41.725 42.059 -0.049 0.000 0.933 349 L HN 0.177 nan 8.230 nan 0.000 0.451 350 I N 0.529 120.916 120.570 -0.305 0.000 2.412 350 I HA 0.264 4.431 4.170 -0.006 0.000 0.296 350 I C -2.296 173.759 176.117 -0.103 0.000 0.987 350 I CA -2.097 59.010 61.300 -0.321 0.000 1.180 350 I CB 1.524 39.105 38.000 -0.699 0.000 1.340 350 I HN -0.205 nan 8.210 nan 0.000 0.455 351 P HA 0.124 nan 4.420 nan 0.000 0.274 351 P C -0.716 176.573 177.300 -0.018 0.000 1.291 351 P CA -0.216 62.864 63.100 -0.032 0.000 0.815 351 P CB 0.154 31.819 31.700 -0.057 0.000 0.897 352 C N 1.274 120.599 119.300 0.042 0.000 3.321 352 C HA 0.535 4.992 4.460 -0.006 0.000 0.363 352 C C 0.717 175.733 174.990 0.043 0.000 1.705 352 C CA -0.528 58.528 59.018 0.064 0.000 1.298 352 C CB 1.573 29.448 27.740 0.226 0.000 2.086 352 C HN 0.350 nan 8.230 nan 0.000 0.438 353 D N -0.012 120.406 120.400 0.030 0.000 2.423 353 D HA 0.367 5.003 4.640 -0.006 0.000 0.212 353 D C 0.652 177.049 176.300 0.162 0.000 1.060 353 D CA 1.109 55.124 54.000 0.025 0.000 0.872 353 D CB 1.104 41.733 40.800 -0.285 0.000 1.012 353 D HN 1.018 nan 8.370 nan 0.000 0.503 354 G N -0.127 108.823 108.800 0.250 0.000 2.698 354 G HA2 0.627 4.583 3.960 -0.006 0.000 0.293 354 G HA3 0.627 4.583 3.960 -0.006 0.000 0.293 354 G C -1.694 173.439 174.900 0.390 0.000 1.437 354 G CA -0.127 45.169 45.100 0.327 0.000 0.852 354 G HN 0.194 nan 8.290 nan 0.000 0.499 355 A N -0.006 122.992 122.820 0.297 0.000 2.588 355 A HA 0.919 5.236 4.320 -0.006 0.000 0.290 355 A C -2.033 175.608 177.584 0.096 0.000 1.136 355 A CA -0.710 51.386 52.037 0.097 0.000 0.681 355 A CB 2.131 21.173 19.000 0.069 0.000 1.282 355 A HN 1.738 nan 8.150 nan 0.000 0.421 356 L N 0.717 121.907 121.223 -0.054 0.000 2.588 356 L HA 0.580 4.917 4.340 -0.006 0.000 0.263 356 L C -1.779 175.122 176.870 0.052 0.000 0.935 356 L CA -0.264 54.618 54.840 0.071 0.000 0.891 356 L CB 1.519 43.690 42.059 0.187 0.000 1.318 356 L HN 0.567 nan 8.230 nan 0.000 0.409 357 V N 5.916 125.888 119.914 0.097 0.000 2.417 357 V HA 0.576 4.693 4.120 -0.006 0.000 0.291 357 V C 0.077 176.308 176.094 0.228 0.000 1.024 357 V CA -0.379 62.003 62.300 0.137 0.000 0.861 357 V CB 1.764 33.652 31.823 0.107 0.000 0.985 357 V HN 0.800 nan 8.190 nan 0.000 0.436 358 M N 7.017 126.781 119.600 0.273 0.000 2.151 358 M HA 0.709 5.186 4.480 -0.006 0.000 0.290 358 M C -2.446 174.004 176.300 0.249 0.000 0.965 358 M CA -0.684 54.785 55.300 0.280 0.000 0.930 358 M CB 1.722 34.510 32.600 0.314 0.000 1.560 358 M HN 0.595 nan 8.290 nan 0.000 0.438 359 L N 5.601 127.048 121.223 0.373 0.000 2.565 359 L HA 0.835 5.172 4.340 -0.006 0.000 0.261 359 L C -0.130 177.009 176.870 0.449 0.000 0.932 359 L CA 1.223 56.278 54.840 0.358 0.000 0.878 359 L CB 1.772 44.026 42.059 0.326 0.000 1.333 359 L HN 0.967 nan 8.230 nan 0.000 0.409 360 G N 3.843 112.799 108.800 0.259 0.000 2.527 360 G HA2 -0.090 3.867 3.960 -0.006 0.000 0.262 360 G HA3 -0.090 3.867 3.960 -0.006 0.000 0.262 360 G C 0.491 175.459 174.900 0.113 0.000 1.153 360 G CA 0.083 45.286 45.100 0.173 0.000 0.954 360 G HN 1.760 nan 8.290 nan 0.000 0.552 361 G N 0.012 108.849 108.800 0.062 0.000 3.651 361 G HA2 0.516 4.472 3.960 -0.006 0.000 0.279 361 G HA3 0.516 4.472 3.960 -0.006 0.000 0.279 361 G C 0.404 175.318 174.900 0.023 0.000 1.024 361 G CA 0.957 46.080 45.100 0.038 0.000 0.813 361 G HN 0.621 nan 8.290 nan 0.000 0.518 362 R N 0.350 120.874 120.500 0.041 0.000 2.437 362 R HA 0.613 4.950 4.340 -0.006 0.000 0.310 362 R C -1.116 175.255 176.300 0.119 0.000 0.955 362 R CA -0.236 55.871 56.100 0.012 0.000 0.851 362 R CB 1.611 31.812 30.300 -0.164 0.000 1.161 362 R HN 0.073 nan 8.270 nan 0.000 0.446 363 T N 3.228 117.834 114.554 0.087 0.000 2.907 363 T HA 0.598 4.944 4.350 -0.006 0.000 0.290 363 T C -1.617 173.137 174.700 0.089 0.000 1.066 363 T CA -0.690 61.478 62.100 0.113 0.000 1.012 363 T CB 1.093 70.003 68.868 0.070 0.000 1.184 363 T HN 0.492 nan 8.240 nan 0.000 0.522 364 L N 2.758 124.038 121.223 0.095 0.000 2.661 364 L HA 0.439 4.776 4.340 -0.006 0.000 0.263 364 L C -0.423 176.489 176.870 0.070 0.000 0.956 364 L CA -0.613 54.270 54.840 0.073 0.000 0.918 364 L CB 1.953 44.063 42.059 0.085 0.000 1.280 364 L HN 0.821 nan 8.230 nan 0.000 0.416 365 S N 5.063 120.794 115.700 0.051 0.000 2.681 365 S HA 0.333 4.800 4.470 -0.006 0.000 0.313 365 S C -0.080 174.560 174.600 0.066 0.000 1.137 365 S CA -0.637 57.599 58.200 0.060 0.000 1.045 365 S CB 0.249 63.463 63.200 0.024 0.000 1.208 365 S HN 0.584 nan 8.310 nan 0.000 0.523 366 I N 2.645 123.267 120.570 0.087 0.000 2.662 366 I HA 0.402 4.569 4.170 -0.006 0.000 0.291 366 I C 0.472 176.653 176.117 0.106 0.000 1.046 366 I CA -0.524 60.826 61.300 0.083 0.000 1.361 366 I CB 0.594 38.643 38.000 0.081 0.000 1.429 366 I HN 0.819 nan 8.210 nan 0.000 0.558 372 R N 1.030 121.433 120.500 -0.163 0.000 2.062 372 R HA 0.099 4.435 4.340 -0.006 0.000 0.226 372 R C 2.109 178.316 176.300 -0.154 0.000 1.125 372 R CA 1.556 57.577 56.100 -0.132 0.000 0.966 372 R CB 0.045 30.288 30.300 -0.096 0.000 0.861 372 R HN 0.113 nan 8.270 nan 0.000 0.433 373 Q N -0.309 119.366 119.800 -0.210 0.000 2.308 373 Q HA -0.158 4.179 4.340 -0.006 0.000 0.209 373 Q C 1.800 177.642 176.000 -0.262 0.000 0.985 373 Q CA 1.367 57.039 55.803 -0.218 0.000 0.881 373 Q CB 0.018 28.533 28.738 -0.372 0.000 0.917 373 Q HN 0.476 nan 8.270 nan 0.000 0.443 374 A N 0.079 122.707 122.820 -0.320 0.000 1.968 374 A HA -0.032 4.285 4.320 -0.006 0.000 0.217 374 A C 2.191 179.587 177.584 -0.313 0.000 1.169 374 A CA 1.308 53.082 52.037 -0.439 0.000 0.638 374 A CB -0.687 17.997 19.000 -0.528 0.000 0.812 374 A HN 0.472 nan 8.150 nan 0.000 0.446 375 G N 0.165 108.845 108.800 -0.201 0.000 2.408 375 G HA2 -0.234 3.722 3.960 -0.006 0.000 0.217 375 G HA3 -0.234 3.722 3.960 -0.006 0.000 0.217 375 G C 1.363 176.202 174.900 -0.103 0.000 1.150 375 G CA 1.055 46.073 45.100 -0.136 0.000 0.776 375 G HN 0.522 nan 8.290 nan 0.000 0.542 376 N N 0.359 119.018 118.700 -0.068 0.000 2.171 376 N HA -0.069 4.667 4.740 -0.006 0.000 0.184 376 N C 2.310 177.825 175.510 0.010 0.000 1.021 376 N CA 0.960 54.015 53.050 0.008 0.000 0.854 376 N CB -0.521 38.035 38.487 0.115 0.000 0.994 376 N HN 0.188 nan 8.380 nan 0.000 0.426 377 V N 1.228 121.108 119.914 -0.057 0.000 2.358 377 V HA -0.106 4.010 4.120 -0.006 0.000 0.246 377 V C 2.161 178.110 176.094 -0.242 0.000 1.047 377 V CA 0.828 63.052 62.300 -0.127 0.000 1.035 377 V CB -0.438 31.212 31.823 -0.288 0.000 0.658 377 V HN 0.173 nan 8.190 nan 0.000 0.452 378 L N 0.003 121.062 121.223 -0.274 0.000 2.549 378 L HA -0.128 4.209 4.340 -0.006 0.000 0.229 378 L C 2.177 178.937 176.870 -0.183 0.000 1.158 378 L CA 1.753 56.414 54.840 -0.299 0.000 0.842 378 L CB -0.525 41.362 42.059 -0.287 0.000 0.952 378 L HN 0.426 nan 8.230 nan 0.000 0.452 379 Q N -1.363 118.360 119.800 -0.129 0.000 2.339 379 Q HA -0.125 4.212 4.340 -0.006 0.000 0.205 379 Q C 2.203 178.163 176.000 -0.067 0.000 0.925 379 Q CA 0.302 56.058 55.803 -0.078 0.000 0.898 379 Q CB 0.189 28.896 28.738 -0.052 0.000 1.013 379 Q HN 0.422 nan 8.270 nan 0.000 0.504 380 R N 0.374 120.830 120.500 -0.074 0.000 2.062 380 R HA -0.005 4.331 4.340 -0.006 0.000 0.231 380 R C 1.745 177.993 176.300 -0.087 0.000 1.136 380 R CA 1.283 57.347 56.100 -0.061 0.000 0.948 380 R CB -0.264 30.019 30.300 -0.027 0.000 0.845 380 R HN 0.281 nan 8.270 nan 0.000 0.430 381 L N 1.458 122.585 121.223 -0.160 0.000 2.711 381 L HA -0.040 4.296 4.340 -0.006 0.000 0.242 381 L C 1.540 178.378 176.870 -0.054 0.000 1.153 381 L CA 0.093 54.862 54.840 -0.118 0.000 0.898 381 L CB -0.249 41.694 42.059 -0.194 0.000 1.044 381 L HN 0.318 nan 8.230 nan 0.000 0.437 382 Q N 0.284 120.053 119.800 -0.051 0.000 2.224 382 Q HA -0.095 4.242 4.340 -0.006 0.000 0.203 382 Q C 1.762 177.759 176.000 -0.005 0.000 0.970 382 Q CA 1.170 56.959 55.803 -0.024 0.000 0.865 382 Q CB 0.016 28.737 28.738 -0.028 0.000 0.922 382 Q HN 0.516 nan 8.270 nan 0.000 0.445 383 R N 0.286 120.782 120.500 -0.006 0.000 2.317 383 R HA 0.051 4.388 4.340 -0.006 0.000 0.208 383 R C -0.046 176.265 176.300 0.019 0.000 0.914 383 R CA 0.099 56.202 56.100 0.006 0.000 1.060 383 R CB 0.560 30.861 30.300 0.002 0.000 1.015 383 R HN -0.044 nan 8.270 nan 0.000 0.498 384 D N 0.145 120.559 120.400 0.024 0.000 2.735 384 D HA 0.157 4.794 4.640 -0.006 0.000 0.291 384 D C -2.271 174.064 176.300 0.059 0.000 1.205 384 D CA -1.841 52.186 54.000 0.045 0.000 0.777 384 D CB 1.358 42.194 40.800 0.060 0.000 1.234 384 D HN -0.107 nan 8.370 nan 0.000 0.520 385 P HA 0.145 nan 4.420 nan 0.000 0.249 385 P C 0.130 177.480 177.300 0.085 0.000 1.241 385 P CA 0.451 63.594 63.100 0.070 0.000 0.781 385 P CB 0.362 32.092 31.700 0.049 0.000 1.088 386 E N -0.781 119.468 120.200 0.082 0.000 2.887 386 E HA 0.160 4.507 4.350 -0.006 0.000 0.206 386 E C 0.057 176.710 176.600 0.089 0.000 0.983 386 E CA -0.357 56.087 56.400 0.073 0.000 1.141 386 E CB 0.484 30.213 29.700 0.049 0.000 1.061 386 E HN -0.009 nan 8.360 nan 0.000 0.468 387 R N 0.737 121.319 120.500 0.138 0.000 2.349 387 R HA 0.176 4.513 4.340 -0.006 0.000 0.299 387 R C -0.251 176.180 176.300 0.218 0.000 1.027 387 R CA -0.099 56.104 56.100 0.172 0.000 0.958 387 R CB 1.076 31.497 30.300 0.202 0.000 1.047 387 R HN 0.071 nan 8.270 nan 0.000 0.468 388 D N 1.353 121.832 120.400 0.132 0.000 2.433 388 D HA 0.296 4.933 4.640 -0.006 0.000 0.211 388 D C 0.022 176.382 176.300 0.100 0.000 1.114 388 D CA 0.367 54.375 54.000 0.013 0.000 0.837 388 D CB 0.642 41.404 40.800 -0.064 0.000 0.984 388 D HN 0.357 nan 8.370 nan 0.000 0.505 389 I N -0.242 120.457 120.570 0.215 0.000 2.827 389 I HA 0.369 4.535 4.170 -0.006 0.000 0.298 389 I C -1.597 174.706 176.117 0.311 0.000 1.235 389 I CA -1.204 60.231 61.300 0.225 0.000 1.021 389 I CB 2.680 40.761 38.000 0.136 0.000 1.259 389 I HN -0.272 nan 8.210 nan 0.000 0.427 390 Y N 5.323 125.692 120.300 0.114 0.000 2.513 390 Y HA 0.567 5.113 4.550 -0.006 0.000 0.340 390 Y C -1.372 174.525 175.900 -0.005 0.000 1.055 390 Y CA -0.506 57.617 58.100 0.038 0.000 1.020 390 Y CB 1.637 40.085 38.460 -0.019 0.000 1.301 390 Y HN 0.610 nan 8.280 nan 0.000 0.453 391 H N 2.373 120.937 119.070 -0.845 0.000 3.086 391 H HA 0.678 5.230 4.556 -0.006 0.000 0.353 391 H C -1.867 173.015 175.328 -0.743 0.000 1.134 391 H CA -0.730 54.865 56.048 -0.755 0.000 1.248 391 H CB 2.009 31.452 29.762 -0.531 0.000 1.878 391 H HN 0.726 nan 8.280 nan 0.000 0.527 392 T N 2.192 116.466 114.554 -0.466 0.000 2.827 392 T HA 0.351 4.697 4.350 -0.006 0.000 0.328 392 T C -2.203 172.652 174.700 0.259 0.000 1.598 392 T CA -0.634 61.395 62.100 -0.117 0.000 1.043 392 T CB 1.693 70.516 68.868 -0.074 0.000 1.447 392 T HN 0.855 nan 8.240 nan 0.000 0.491 393 D N 1.674 122.221 120.400 0.244 0.000 2.599 393 D HA 0.327 4.964 4.640 -0.006 0.000 0.252 393 D C -0.540 175.805 176.300 0.075 0.000 1.232 393 D CA -0.696 53.436 54.000 0.219 0.000 0.819 393 D CB 1.103 42.013 40.800 0.183 0.000 1.401 393 D HN 0.410 nan 8.370 nan 0.000 0.429 394 N N -0.174 118.523 118.700 -0.006 0.000 2.214 394 N HA 0.037 4.773 4.740 -0.006 0.000 0.214 394 N C 0.439 176.068 175.510 0.198 0.000 1.132 394 N CA -0.370 52.681 53.050 0.003 0.000 0.856 394 N CB 0.441 38.794 38.487 -0.223 0.000 1.020 394 N HN 0.491 nan 8.380 nan 0.000 0.509 407 D N -0.996 119.439 120.400 0.059 0.000 2.433 407 D HA 0.319 4.955 4.640 -0.006 0.000 0.211 407 D C 0.151 176.476 176.300 0.042 0.000 1.114 407 D CA -0.133 53.890 54.000 0.038 0.000 0.837 407 D CB 0.176 40.971 40.800 -0.007 0.000 0.984 407 D HN 0.369 nan 8.370 nan 0.000 0.505 408 C N 0.303 119.609 119.300 0.009 0.000 2.482 408 C HA 0.396 4.853 4.460 -0.006 0.000 0.317 408 C C 1.371 176.403 174.990 0.071 0.000 1.197 408 C CA -0.673 58.371 59.018 0.043 0.000 1.432 408 C CB 0.979 28.691 27.740 -0.047 0.000 2.062 408 C HN 0.512 nan 8.230 nan 0.000 0.471 409 C N 1.556 120.969 119.300 0.187 0.000 2.527 409 C HA 0.246 4.703 4.460 -0.006 0.000 0.280 409 C C 1.574 176.755 174.990 0.318 0.000 1.353 409 C CA 0.035 59.219 59.018 0.276 0.000 1.749 409 C CB -1.179 26.700 27.740 0.231 0.000 2.088 409 C HN 1.026 nan 8.230 nan 0.000 0.508 410 G N 1.088 110.108 108.800 0.367 0.000 2.364 410 G HA2 0.496 4.453 3.960 -0.006 0.000 0.267 410 G HA3 0.496 4.453 3.960 -0.006 0.000 0.267 410 G C -0.893 174.440 174.900 0.722 0.000 1.233 410 G CA 0.318 45.859 45.100 0.734 0.000 0.885 410 G HN 0.241 nan 8.290 nan 0.000 0.490 411 V N 3.889 124.059 119.914 0.426 0.000 2.612 411 V HA 0.443 4.560 4.120 -0.006 0.000 0.301 411 V C -0.386 175.520 176.094 -0.313 0.000 1.059 411 V CA -0.656 61.701 62.300 0.095 0.000 0.886 411 V CB 1.810 33.661 31.823 0.048 0.000 1.007 411 V HN 0.704 nan 8.190 nan 0.000 0.426 412 L N 4.059 125.081 121.223 -0.335 0.000 2.406 412 L HA 0.941 5.278 4.340 -0.006 0.000 0.272 412 L C -0.284 176.601 176.870 0.025 0.000 0.980 412 L CA -0.371 54.295 54.840 -0.290 0.000 0.831 412 L CB 1.822 43.570 42.059 -0.519 0.000 1.253 412 L HN 0.813 nan 8.230 nan 0.000 0.406 413 A N 6.131 128.985 122.820 0.055 0.000 2.393 413 A HA 0.816 5.133 4.320 -0.006 0.000 0.306 413 A C -0.988 176.649 177.584 0.089 0.000 1.050 413 A CA -0.564 51.389 52.037 -0.140 0.000 0.724 413 A CB 1.429 20.270 19.000 -0.265 0.000 1.248 413 A HN 0.685 nan 8.150 nan 0.000 0.424 414 I N -0.672 119.914 120.570 0.028 0.000 2.608 414 I HA 0.805 4.972 4.170 -0.006 0.000 0.295 414 I C -0.412 175.561 176.117 -0.241 0.000 1.049 414 I CA -0.912 60.422 61.300 0.057 0.000 1.063 414 I CB 2.009 40.069 38.000 0.100 0.000 1.248 414 I HN 0.749 nan 8.210 nan 0.000 0.424 415 R N 5.026 125.129 120.500 -0.662 0.000 2.532 415 R HA 0.774 5.111 4.340 -0.006 0.000 0.295 415 R C -1.582 174.310 176.300 -0.681 0.000 0.968 415 R CA -0.342 54.885 56.100 -1.455 0.000 0.916 415 R CB 1.500 30.625 30.300 -1.957 0.000 1.124 415 R HN 0.780 nan 8.270 nan 0.000 0.463 423 W N 1.100 121.794 121.300 -1.009 0.000 3.029 423 W HA 0.812 5.470 4.660 -0.005 0.000 0.339 423 W C -0.224 176.029 176.519 -0.444 0.000 1.198 423 W CA -0.956 55.942 57.345 -0.745 0.000 1.148 423 W CB 2.246 31.494 29.460 -0.353 0.000 1.451 423 W HN 0.375 nan 8.180 nan 0.000 0.564 424 I N 1.711 122.110 120.570 -0.284 0.000 2.686 424 I HA 0.503 4.669 4.170 -0.006 0.000 0.295 424 I C -1.353 174.219 176.117 -0.908 0.000 1.114 424 I CA -0.957 60.123 61.300 -0.367 0.000 1.038 424 I CB 1.879 39.736 38.000 -0.238 0.000 1.238 424 I HN 0.164 nan 8.210 nan 0.000 0.420 425 F N 3.076 122.615 119.950 -0.685 0.000 2.588 425 F HA 0.559 5.082 4.527 -0.005 0.000 0.310 425 F C -1.296 173.785 175.800 -1.199 0.000 1.082 425 F CA -0.604 56.904 58.000 -0.820 0.000 0.929 425 F CB 1.798 40.425 39.000 -0.621 0.000 1.254 425 F HN 0.256 nan 8.300 nan 0.000 0.455 426 W N 2.166 123.175 121.300 -0.486 0.000 2.957 426 W HA 0.732 5.388 4.660 -0.006 0.000 0.336 426 W C -1.799 174.505 176.519 -0.358 0.000 1.087 426 W CA -1.135 55.989 57.345 -0.369 0.000 1.235 426 W CB 1.014 30.455 29.460 -0.032 0.000 1.399 426 W HN 0.180 nan 8.180 nan 0.000 0.480 427 F N 2.020 122.227 119.950 0.428 0.000 2.532 427 F HA 0.717 5.241 4.527 -0.005 0.000 0.321 427 F C 0.416 176.339 175.800 0.206 0.000 1.089 427 F CA -1.412 56.780 58.000 0.320 0.000 0.926 427 F CB 1.959 41.047 39.000 0.148 0.000 1.168 427 F HN 0.069 nan 8.300 nan 0.000 0.459 428 R N 1.190 121.894 120.500 0.339 0.000 2.500 428 R HA 0.280 4.617 4.340 -0.006 0.000 0.299 428 R C -1.150 175.144 176.300 -0.010 0.000 1.038 428 R CA -0.979 55.096 56.100 -0.042 0.000 0.903 428 R CB 1.285 31.425 30.300 -0.267 0.000 1.177 428 R HN 0.731 nan 8.270 nan 0.000 0.455 429 H N 0.208 119.343 119.070 0.109 0.000 2.679 429 H HA 0.124 4.677 4.556 -0.005 0.000 0.369 429 H C -0.071 175.285 175.328 0.048 0.000 1.178 429 H CA -0.796 55.297 56.048 0.075 0.000 1.419 429 H CB 0.826 30.622 29.762 0.056 0.000 1.458 429 H HN 0.443 nan 8.280 nan 0.000 0.605 430 E N 1.771 122.116 120.200 0.242 0.000 2.969 430 E HA 0.082 4.429 4.350 -0.006 0.000 0.213 430 E C -0.383 176.313 176.600 0.161 0.000 1.107 430 E CA -0.505 55.990 56.400 0.158 0.000 1.007 430 E CB 0.255 30.011 29.700 0.093 0.000 1.326 430 E HN 0.896 nan 8.360 nan 0.000 0.432 431 E N 1.062 121.393 120.200 0.217 0.000 2.437 431 E HA 0.018 4.365 4.350 -0.006 0.000 0.189 431 E C 0.479 177.167 176.600 0.147 0.000 1.054 431 E CA -0.030 56.450 56.400 0.133 0.000 0.874 431 E CB 0.310 30.050 29.700 0.067 0.000 1.011 431 E HN 0.433 nan 8.360 nan 0.000 0.474 432 V N 0.602 120.607 119.914 0.152 0.000 2.717 432 V HA -0.018 4.099 4.120 -0.006 0.000 0.302 432 V C -0.043 176.212 176.094 0.269 0.000 1.097 432 V CA 0.497 62.895 62.300 0.164 0.000 1.262 432 V CB -0.538 31.359 31.823 0.123 0.000 0.846 432 V HN 0.596 nan 8.190 nan 0.000 0.485 449 P HA 0.621 nan 4.420 nan 0.000 0.297 449 P C 0.203 177.490 177.300 -0.021 0.000 1.307 449 P CA 0.138 63.219 63.100 -0.032 0.000 0.773 449 P CB 1.782 33.458 31.700 -0.041 0.000 1.265 450 S N -2.697 112.992 115.700 -0.020 0.000 2.617 450 S HA 0.357 4.824 4.470 -0.006 0.000 0.278 450 S C 0.421 175.017 174.600 -0.005 0.000 1.082 450 S CA 0.288 58.482 58.200 -0.010 0.000 1.228 450 S CB -0.453 62.743 63.200 -0.007 0.000 1.130 450 S HN 0.628 nan 8.310 nan 0.000 0.621 451 G N 1.622 110.416 108.800 -0.009 0.000 2.511 451 G HA2 0.581 4.537 3.960 -0.006 0.000 0.318 451 G HA3 0.581 4.537 3.960 -0.006 0.000 0.318 451 G C -1.674 173.221 174.900 -0.008 0.000 1.210 451 G CA -1.389 43.710 45.100 -0.001 0.000 0.969 451 G HN 0.126 nan 8.290 nan 0.000 0.484 452 P HA -0.164 nan 4.420 nan 0.000 0.214 452 P C 1.485 178.783 177.300 -0.003 0.000 1.163 452 P CA 0.997 64.098 63.100 0.002 0.000 0.883 452 P CB 0.341 32.048 31.700 0.012 0.000 0.788 453 R N 0.094 120.598 120.500 0.007 0.000 2.146 453 R HA 0.098 4.435 4.340 -0.006 0.000 0.206 453 R C 1.042 177.324 176.300 -0.030 0.000 1.049 453 R CA 0.075 56.185 56.100 0.016 0.000 1.029 453 R CB -0.427 29.912 30.300 0.064 0.000 0.949 453 R HN 0.117 nan 8.270 nan 0.000 0.471 454 L N 4.139 125.311 121.223 -0.085 0.000 2.774 454 L HA 0.070 4.407 4.340 -0.006 0.000 0.284 454 L C -0.188 176.342 176.870 -0.566 0.000 1.149 454 L CA 0.357 54.990 54.840 -0.344 0.000 1.069 454 L CB -0.725 41.187 42.059 -0.244 0.000 1.407 454 L HN 0.326 nan 8.230 nan 0.000 0.460 455 T N -0.282 113.957 114.554 -0.525 0.000 2.907 455 T HA 0.312 4.659 4.350 -0.006 0.000 0.344 455 T C -2.557 172.180 174.700 0.062 0.000 1.675 455 T CA -1.188 60.745 62.100 -0.278 0.000 1.076 455 T CB 2.220 71.029 68.868 -0.098 0.000 1.483 455 T HN -0.016 nan 8.240 nan 0.000 0.487 456 P HA -0.030 nan 4.420 nan 0.000 0.210 456 P C 1.423 178.825 177.300 0.170 0.000 1.185 456 P CA 1.206 64.563 63.100 0.428 0.000 0.924 456 P CB 0.035 32.010 31.700 0.458 0.000 0.786 457 R N -0.608 119.965 120.500 0.121 0.000 2.316 457 R HA 0.013 4.349 4.340 -0.006 0.000 0.202 457 R C 2.049 178.398 176.300 0.081 0.000 1.029 457 R CA 1.145 57.314 56.100 0.114 0.000 1.018 457 R CB -0.824 29.528 30.300 0.085 0.000 0.888 457 R HN 0.203 nan 8.270 nan 0.000 0.471 458 G N -1.663 107.175 108.800 0.064 0.000 2.662 458 G HA2 -0.076 3.880 3.960 -0.006 0.000 0.212 458 G HA3 -0.076 3.880 3.960 -0.006 0.000 0.212 458 G C 1.150 176.096 174.900 0.076 0.000 1.141 458 G CA 0.010 45.133 45.100 0.039 0.000 0.797 458 G HN 0.233 nan 8.290 nan 0.000 0.531 459 S N 0.091 115.872 115.700 0.134 0.000 2.425 459 S HA 0.058 4.524 4.470 -0.006 0.000 0.225 459 S C 1.738 176.435 174.600 0.161 0.000 1.024 459 S CA 0.024 58.349 58.200 0.207 0.000 0.951 459 S CB -0.201 63.274 63.200 0.458 0.000 0.796 459 S HN 0.359 nan 8.310 nan 0.000 0.498 460 F N 2.925 122.778 119.950 -0.161 0.000 2.234 460 F HA 0.025 4.552 4.527 -0.001 0.000 0.299 460 F C 1.911 177.757 175.800 0.076 0.000 1.087 460 F CA 1.153 59.069 58.000 -0.139 0.000 1.340 460 F CB -0.524 38.310 39.000 -0.276 0.000 1.031 460 F HN 0.194 nan 8.300 nan 0.000 0.500 461 E N -0.130 119.989 120.200 -0.135 0.000 2.106 461 E HA -0.088 4.258 4.350 -0.006 0.000 0.192 461 E C 1.893 178.450 176.600 -0.072 0.000 0.984 461 E CA 0.948 57.221 56.400 -0.211 0.000 0.806 461 E CB -0.265 29.359 29.700 -0.126 0.000 0.750 461 E HN 0.403 nan 8.360 nan 0.000 0.458 462 A N -0.428 122.415 122.820 0.039 0.000 2.307 462 A HA -0.002 4.315 4.320 -0.006 0.000 0.218 462 A C 1.286 178.954 177.584 0.139 0.000 1.228 462 A CA -0.304 51.773 52.037 0.068 0.000 0.857 462 A CB -0.402 18.649 19.000 0.085 0.000 0.897 462 A HN 0.415 nan 8.150 nan 0.000 0.495 463 W N 0.389 121.674 121.300 -0.025 0.000 2.580 463 W HA 0.076 4.732 4.660 -0.007 0.000 0.287 463 W C 1.636 178.130 176.519 -0.042 0.000 1.175 463 W CA 1.464 58.814 57.345 0.008 0.000 1.409 463 W CB 0.094 29.612 29.460 0.095 0.000 1.101 463 W HN 0.387 nan 8.180 nan 0.000 0.558 464 E N 0.363 120.545 120.200 -0.030 0.000 2.070 464 E HA -0.332 4.014 4.350 -0.006 0.000 0.197 464 E C 1.830 178.280 176.600 -0.250 0.000 1.004 464 E CA 1.856 58.101 56.400 -0.257 0.000 0.805 464 E CB -0.512 29.065 29.700 -0.206 0.000 0.744 464 E HN 0.404 nan 8.360 nan 0.000 0.451 465 E N 0.376 120.486 120.200 -0.150 0.000 2.401 465 E HA -0.140 4.206 4.350 -0.006 0.000 0.199 465 E C 1.529 178.068 176.600 -0.101 0.000 1.023 465 E CA 0.480 56.819 56.400 -0.102 0.000 0.859 465 E CB 0.320 29.983 29.700 -0.061 0.000 0.780 465 E HN 0.046 nan 8.360 nan 0.000 0.523 466 V N -0.077 119.730 119.914 -0.178 0.000 3.471 466 V HA -0.066 4.050 4.120 -0.006 0.000 0.258 466 V C 1.849 177.746 176.094 -0.329 0.000 1.192 466 V CA 0.936 63.115 62.300 -0.202 0.000 1.116 466 V CB 1.107 32.804 31.823 -0.210 0.000 0.792 466 V HN 0.368 nan 8.190 nan 0.000 0.459 467 V N -2.840 116.832 119.914 -0.402 0.000 3.471 467 V HA 0.204 4.321 4.120 -0.006 0.000 0.258 467 V C 2.377 178.405 176.094 -0.111 0.000 1.192 467 V CA 0.509 62.578 62.300 -0.386 0.000 1.116 467 V CB -0.304 31.084 31.823 -0.724 0.000 0.792 467 V HN 0.237 nan 8.190 nan 0.000 0.459 468 R N 2.066 122.516 120.500 -0.083 0.000 2.080 468 R HA -0.040 4.296 4.340 -0.006 0.000 0.236 468 R C 2.346 178.675 176.300 0.048 0.000 1.137 468 R CA 1.997 58.085 56.100 -0.020 0.000 0.943 468 R CB -1.442 28.841 30.300 -0.029 0.000 0.846 468 R HN 0.609 nan 8.270 nan 0.000 0.431 469 G N 0.564 109.415 108.800 0.086 0.000 2.559 469 G HA2 -0.143 3.814 3.960 -0.006 0.000 0.216 469 G HA3 -0.143 3.814 3.960 -0.006 0.000 0.216 469 G C 0.345 175.238 174.900 -0.011 0.000 1.126 469 G CA 0.205 45.323 45.100 0.031 0.000 0.778 469 G HN 0.377 nan 8.290 nan 0.000 0.543 470 H N 0.971 120.035 119.070 -0.009 0.000 2.652 470 H HA 0.294 4.846 4.556 -0.007 0.000 0.298 470 H C 0.177 175.493 175.328 -0.021 0.000 1.076 470 H CA -0.294 55.751 56.048 -0.004 0.000 1.360 470 H CB 1.247 30.981 29.762 -0.046 0.000 1.421 470 H HN 0.246 nan 8.280 nan 0.000 0.464 471 S N 2.691 118.430 115.700 0.065 0.000 2.603 471 S HA 0.060 4.526 4.470 -0.006 0.000 0.268 471 S C 0.404 174.922 174.600 -0.137 0.000 1.317 471 S CA -0.928 57.253 58.200 -0.033 0.000 1.012 471 S CB 0.773 63.937 63.200 -0.060 0.000 0.926 471 S HN 0.535 nan 8.310 nan 0.000 0.539 472 T N 4.393 118.831 114.554 -0.193 0.000 2.656 472 T HA 0.109 4.456 4.350 -0.006 0.000 0.263 472 T C -2.222 172.228 174.700 -0.416 0.000 1.017 472 T CA -0.100 61.860 62.100 -0.233 0.000 1.216 472 T CB -0.863 67.868 68.868 -0.228 0.000 0.989 472 T HN 0.528 nan 8.240 nan 0.000 0.507 473 P HA 0.032 nan 4.420 nan 0.000 0.267 473 P C -0.478 176.615 177.300 -0.345 0.000 1.200 473 P CA -0.389 62.553 63.100 -0.263 0.000 0.772 473 P CB 0.356 32.031 31.700 -0.042 0.000 0.855 474 W N 2.088 123.374 121.300 -0.023 0.000 2.605 474 W HA 0.173 4.829 4.660 -0.006 0.000 0.327 474 W C 0.562 177.016 176.519 -0.108 0.000 1.332 474 W CA 0.053 57.361 57.345 -0.063 0.000 1.403 474 W CB -0.710 28.722 29.460 -0.048 0.000 1.452 474 W HN 0.245 nan 8.180 nan 0.000 0.503 475 S N 1.819 117.529 115.700 0.018 0.000 2.572 475 S HA -0.149 4.318 4.470 -0.006 0.000 0.267 475 S C 1.420 175.987 174.600 -0.055 0.000 1.361 475 S CA -0.401 57.760 58.200 -0.064 0.000 1.009 475 S CB 0.743 63.901 63.200 -0.071 0.000 0.888 475 S HN 0.667 nan 8.310 nan 0.000 0.553 476 E N 1.150 121.290 120.200 -0.100 0.000 2.160 476 E HA -0.148 4.199 4.350 -0.006 0.000 0.195 476 E C 1.648 178.213 176.600 -0.058 0.000 0.991 476 E CA 1.909 58.264 56.400 -0.075 0.000 0.810 476 E CB -0.355 29.306 29.700 -0.065 0.000 0.742 476 E HN 0.715 nan 8.360 nan 0.000 0.466 477 T N 0.453 114.973 114.554 -0.056 0.000 2.904 477 T HA -0.076 4.271 4.350 -0.006 0.000 0.267 477 T C 0.979 175.636 174.700 -0.071 0.000 1.059 477 T CA 1.111 63.177 62.100 -0.056 0.000 1.137 477 T CB -0.195 68.642 68.868 -0.051 0.000 0.879 477 T HN 0.186 nan 8.240 nan 0.000 0.467 478 D N 1.176 121.538 120.400 -0.063 0.000 2.183 478 D HA 0.029 4.665 4.640 -0.006 0.000 0.203 478 D C 1.909 178.147 176.300 -0.103 0.000 0.969 478 D CA 0.426 54.377 54.000 -0.082 0.000 0.842 478 D CB -0.107 40.700 40.800 0.011 0.000 0.957 478 D HN 0.214 nan 8.370 nan 0.000 0.484 479 L N 0.546 121.723 121.223 -0.076 0.000 2.376 479 L HA 0.056 4.392 4.340 -0.006 0.000 0.219 479 L C 2.158 178.976 176.870 -0.087 0.000 1.133 479 L CA 0.622 55.401 54.840 -0.102 0.000 0.816 479 L CB -0.948 41.033 42.059 -0.129 0.000 0.933 479 L HN -0.061 nan 8.230 nan 0.000 0.449 480 A N -0.666 122.107 122.820 -0.078 0.000 2.030 480 A HA 0.017 4.333 4.320 -0.006 0.000 0.215 480 A C 2.237 179.780 177.584 -0.067 0.000 1.164 480 A CA 0.433 52.432 52.037 -0.063 0.000 0.697 480 A CB -0.039 18.929 19.000 -0.053 0.000 0.827 480 A HN 0.270 nan 8.150 nan 0.000 0.457 481 I N -0.363 120.148 120.570 -0.099 0.000 2.235 481 I HA -0.154 4.013 4.170 -0.006 0.000 0.241 481 I C 2.941 178.996 176.117 -0.105 0.000 1.085 481 I CA 0.950 62.180 61.300 -0.117 0.000 1.378 481 I CB -0.273 37.620 38.000 -0.179 0.000 1.076 481 I HN 0.300 nan 8.210 nan 0.000 0.415 482 A N 0.179 122.915 122.820 -0.139 0.000 1.940 482 A HA -0.235 4.082 4.320 -0.006 0.000 0.219 482 A C 2.289 179.899 177.584 0.043 0.000 1.176 482 A CA 1.674 53.708 52.037 -0.006 0.000 0.631 482 A CB -0.471 18.537 19.000 0.013 0.000 0.814 482 A HN 0.344 nan 8.150 nan 0.000 0.446 483 E N 0.141 120.338 120.200 -0.005 0.000 2.028 483 E HA -0.153 4.194 4.350 -0.006 0.000 0.191 483 E C 1.979 178.576 176.600 -0.004 0.000 0.988 483 E CA 0.982 57.382 56.400 -0.001 0.000 0.799 483 E CB -0.250 29.438 29.700 -0.020 0.000 0.755 483 E HN 0.331 nan 8.360 nan 0.000 0.447 484 K N 0.820 121.210 120.400 -0.017 0.000 2.074 484 K HA -0.135 4.182 4.320 -0.006 0.000 0.209 484 K C 2.307 178.901 176.600 -0.011 0.000 1.048 484 K CA 0.522 56.798 56.287 -0.018 0.000 0.926 484 K CB -0.731 31.753 32.500 -0.027 0.000 0.713 484 K HN 0.225 nan 8.250 nan 0.000 0.444 485 L N 0.798 122.025 121.223 0.007 0.000 1.961 485 L HA -0.214 4.123 4.340 -0.006 0.000 0.210 485 L C 2.819 179.690 176.870 0.002 0.000 1.072 485 L CA 1.544 56.398 54.840 0.023 0.000 0.749 485 L CB -0.403 41.719 42.059 0.105 0.000 0.889 485 L HN 0.233 nan 8.230 nan 0.000 0.432 486 R N -0.228 120.295 120.500 0.039 0.000 2.133 486 R HA -0.255 4.082 4.340 -0.006 0.000 0.247 486 R C 2.149 178.440 176.300 -0.015 0.000 1.151 486 R CA 1.817 57.935 56.100 0.031 0.000 0.971 486 R CB -0.310 30.018 30.300 0.047 0.000 0.866 486 R HN 0.276 nan 8.270 nan 0.000 0.447 487 L N 1.476 122.688 121.223 -0.018 0.000 2.056 487 L HA -0.118 4.219 4.340 -0.006 0.000 0.207 487 L C 1.867 178.710 176.870 -0.045 0.000 1.078 487 L CA 1.790 56.613 54.840 -0.029 0.000 0.749 487 L CB -0.807 41.239 42.059 -0.023 0.000 0.901 487 L HN 0.162 nan 8.230 nan 0.000 0.433 488 D N -0.834 119.536 120.400 -0.050 0.000 2.149 488 D HA -0.170 4.467 4.640 -0.006 0.000 0.198 488 D C 2.111 178.351 176.300 -0.100 0.000 0.990 488 D CA 1.104 55.066 54.000 -0.064 0.000 0.839 488 D CB -0.057 40.708 40.800 -0.058 0.000 0.948 488 D HN 0.131 nan 8.370 nan 0.000 0.460 489 L N -0.361 120.777 121.223 -0.141 0.000 2.375 489 L HA 0.152 4.488 4.340 -0.006 0.000 0.215 489 L C 2.019 178.781 176.870 -0.181 0.000 1.108 489 L CA 0.457 55.152 54.840 -0.242 0.000 0.830 489 L CB -0.448 41.333 42.059 -0.464 0.000 0.959 489 L HN -0.019 nan 8.230 nan 0.000 0.457 490 M N -0.234 119.307 119.600 -0.098 0.000 2.426 490 M HA -0.226 4.251 4.480 -0.006 0.000 0.261 490 M C 2.036 178.301 176.300 -0.058 0.000 1.068 490 M CA 1.244 56.512 55.300 -0.054 0.000 1.066 490 M CB 0.023 32.600 32.600 -0.038 0.000 1.399 490 M HN 0.265 nan 8.290 nan 0.000 0.449 491 E N 0.054 120.210 120.200 -0.074 0.000 2.076 491 E HA -0.020 4.326 4.350 -0.006 0.000 0.190 491 E C -0.123 176.439 176.600 -0.064 0.000 0.979 491 E CA 0.691 57.053 56.400 -0.062 0.000 0.807 491 E CB -0.181 29.482 29.700 -0.062 0.000 0.761 491 E HN 0.314 nan 8.360 nan 0.000 0.454 492 L N 1.603 122.772 121.223 -0.090 0.000 2.562 492 L HA -0.015 4.321 4.340 -0.006 0.000 0.271 492 L C 0.636 177.472 176.870 -0.057 0.000 1.167 492 L CA 0.281 55.071 54.840 -0.083 0.000 0.917 492 L CB 0.499 42.484 42.059 -0.123 0.000 1.187 492 L HN 0.410 nan 8.230 nan 0.000 0.482 493 C N 2.721 121.999 119.300 -0.038 0.000 2.700 493 C HA 0.604 5.060 4.460 -0.006 0.000 0.297 493 C C 0.682 175.665 174.990 -0.012 0.000 1.293 493 C CA -0.493 58.512 59.018 -0.021 0.000 1.756 493 C CB -0.948 26.782 27.740 -0.017 0.000 2.210 493 C HN 0.818 nan 8.230 nan 0.000 0.553 494 L N 0.000 121.214 121.223 -0.016 0.000 2.949 494 L HA 0.000 4.337 4.340 -0.006 0.000 0.249 494 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 494 L CB 0.000 42.064 42.059 0.009 0.000 0.961 494 L HN 0.000 nan 8.230 nan 0.000 0.502