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 3iel_1_B DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.295 55.300 -0.008 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.002 0.000 1.302 2 R N 2.560 123.047 120.500 -0.023 0.000 2.740 2 R HA 0.800 5.141 4.340 0.001 0.000 0.273 2 R C -1.805 174.465 176.300 -0.050 0.000 0.998 2 R CA -0.894 55.184 56.100 -0.035 0.000 0.900 2 R CB 2.714 32.992 30.300 -0.036 0.000 1.223 2 R HN 0.630 nan 8.270 nan 0.000 0.466 3 I N 1.691 122.219 120.570 -0.069 0.000 2.447 3 I HA 0.309 4.479 4.170 0.001 0.000 0.287 3 I C -1.415 174.620 176.117 -0.136 0.000 1.023 3 I CA -0.611 60.632 61.300 -0.095 0.000 1.083 3 I CB 2.056 39.996 38.000 -0.100 0.000 1.245 3 I HN 0.277 nan 8.210 nan 0.000 0.434 4 V N 9.811 129.626 119.914 -0.165 0.000 2.334 4 V HA 0.472 4.592 4.120 0.001 0.000 0.281 4 V C -2.309 173.536 176.094 -0.416 0.000 1.016 4 V CA -1.684 60.419 62.300 -0.328 0.000 0.832 4 V CB 1.168 32.763 31.823 -0.381 0.000 0.999 4 V HN 0.622 nan 8.190 nan 0.000 0.439 5 P HA 0.259 nan 4.420 nan 0.000 0.276 5 P C -0.467 176.491 177.300 -0.571 0.000 1.264 5 P CA 0.118 63.144 63.100 -0.123 0.000 0.769 5 P CB 0.146 31.824 31.700 -0.036 0.000 0.840 6 F N 3.044 122.856 119.950 -0.229 0.000 2.855 6 F HA 0.546 5.074 4.527 0.001 0.000 0.317 6 F C 1.165 177.041 175.800 0.126 0.000 1.169 6 F CA 0.101 57.916 58.000 -0.307 0.000 1.299 6 F CB 0.539 39.516 39.000 -0.039 0.000 0.962 6 F HN 0.393 nan 8.300 nan 0.000 0.506 7 G N -1.463 107.498 108.800 0.269 0.000 2.316 7 G HA2 0.477 4.438 3.960 0.001 0.000 0.296 7 G HA3 0.477 4.438 3.960 0.001 0.000 0.296 7 G C -0.020 175.006 174.900 0.210 0.000 1.399 7 G CA -0.104 45.181 45.100 0.308 0.000 0.833 7 G HN 0.635 nan 8.290 nan 0.000 0.565 8 A N -1.988 120.946 122.820 0.190 0.000 2.798 8 A HA 0.228 4.548 4.320 0.001 0.000 0.282 8 A C 1.176 178.873 177.584 0.189 0.000 1.464 8 A CA 1.901 54.029 52.037 0.152 0.000 0.844 8 A CB -1.569 17.542 19.000 0.185 0.000 1.006 8 A HN 2.613 nan 8.150 nan 0.000 0.577 9 A N -0.741 122.214 122.820 0.224 0.000 2.310 9 A HA 0.635 4.955 4.320 0.001 0.000 0.300 9 A C 1.130 178.782 177.584 0.112 0.000 1.269 9 A CA 0.434 52.576 52.037 0.176 0.000 0.909 9 A CB -0.083 19.054 19.000 0.227 0.000 1.144 9 A HN 1.491 nan 8.150 nan 0.000 0.540 10 R N -0.254 120.289 120.500 0.071 0.000 3.875 10 R HA -0.211 4.130 4.340 0.001 0.000 0.321 10 R C -0.114 176.193 176.300 0.012 0.000 1.196 10 R CA 1.911 58.031 56.100 0.033 0.000 0.868 10 R CB -2.286 28.030 30.300 0.028 0.000 1.333 10 R HN 1.022 nan 8.270 nan 0.000 0.522 11 E N -2.425 117.781 120.200 0.010 0.000 2.407 11 E HA 0.398 4.748 4.350 0.001 0.000 0.279 11 E C 0.455 176.983 176.600 -0.119 0.000 1.012 11 E CA -0.513 55.870 56.400 -0.028 0.000 0.800 11 E CB 1.122 30.840 29.700 0.029 0.000 1.276 11 E HN -0.022 nan 8.360 nan 0.000 0.452 12 V N -1.657 118.126 119.914 -0.219 0.000 2.951 12 V HA 0.044 4.164 4.120 0.001 0.000 0.255 12 V C 0.921 176.715 176.094 -0.500 0.000 1.088 12 V CA 1.590 63.569 62.300 -0.536 0.000 1.109 12 V CB -0.744 30.820 31.823 -0.432 0.000 0.724 12 V HN 0.773 nan 8.190 nan 0.000 0.471 13 T N -3.394 111.063 114.554 -0.161 0.000 2.937 13 T HA 0.671 5.021 4.350 0.001 0.000 0.283 13 T C 1.061 175.667 174.700 -0.156 0.000 1.012 13 T CA 0.262 62.311 62.100 -0.085 0.000 0.997 13 T CB 1.193 70.063 68.868 0.003 0.000 1.136 13 T HN 1.629 nan 8.240 nan 0.000 0.551 14 G N 0.389 108.972 108.800 -0.362 0.000 2.157 14 G HA2 -0.253 3.708 3.960 0.001 0.000 0.248 14 G HA3 -0.253 3.708 3.960 0.001 0.000 0.248 14 G C 0.272 174.878 174.900 -0.490 0.000 0.979 14 G CA 0.033 44.623 45.100 -0.851 0.000 0.650 14 G HN 1.128 nan 8.290 nan 0.000 0.529 15 S N 0.513 116.028 115.700 -0.309 0.000 2.931 15 S HA 0.395 4.865 4.470 0.001 0.000 0.342 15 S C 0.564 174.909 174.600 -0.424 0.000 1.220 15 S CA 1.189 59.180 58.200 -0.349 0.000 1.045 15 S CB 0.549 63.459 63.200 -0.484 0.000 0.758 15 S HN 2.018 nan 8.310 nan 0.000 0.508 16 A N 4.755 127.166 122.820 -0.681 0.000 2.521 16 A HA 0.528 4.849 4.320 0.001 0.000 0.298 16 A C -1.228 175.954 177.584 -0.670 0.000 1.044 16 A CA -0.793 50.986 52.037 -0.430 0.000 0.911 16 A CB 0.939 19.895 19.000 -0.072 0.000 1.376 16 A HN 0.803 nan 8.150 nan 0.000 0.392 17 H N 2.307 121.290 119.070 -0.145 0.000 2.782 17 H HA 0.444 5.000 4.556 0.001 0.000 0.347 17 H C -1.336 173.865 175.328 -0.211 0.000 1.038 17 H CA -0.686 55.244 56.048 -0.196 0.000 1.255 17 H CB 1.966 31.494 29.762 -0.390 0.000 1.623 17 H HN 0.565 nan 8.280 nan 0.000 0.525 18 L N 4.327 125.520 121.223 -0.050 0.000 2.260 18 L HA 0.202 4.542 4.340 0.001 0.000 0.289 18 L C -0.705 176.095 176.870 -0.117 0.000 1.057 18 L CA -0.599 54.135 54.840 -0.178 0.000 0.811 18 L CB 0.404 42.324 42.059 -0.231 0.000 1.184 18 L HN 0.435 nan 8.230 nan 0.000 0.429 19 L N 6.694 127.847 121.223 -0.116 0.000 2.265 19 L HA 0.455 4.796 4.340 0.001 0.000 0.288 19 L C -1.120 175.711 176.870 -0.066 0.000 1.058 19 L CA 0.150 54.946 54.840 -0.074 0.000 0.809 19 L CB 0.577 42.608 42.059 -0.046 0.000 1.179 19 L HN 0.538 nan 8.230 nan 0.000 0.429 20 L N 6.806 127.999 121.223 -0.049 0.000 2.295 20 L HA 0.883 5.223 4.340 0.001 0.000 0.281 20 L C -0.145 176.712 176.870 -0.022 0.000 1.018 20 L CA -0.265 54.554 54.840 -0.036 0.000 0.841 20 L CB 0.827 42.868 42.059 -0.029 0.000 1.218 20 L HN 0.892 nan 8.230 nan 0.000 0.424 21 A N 1.539 124.350 122.820 -0.016 0.000 2.544 21 A HA 0.636 4.957 4.320 0.001 0.000 0.291 21 A C 0.424 178.006 177.584 -0.003 0.000 1.055 21 A CA 0.033 52.066 52.037 -0.007 0.000 0.651 21 A CB 0.784 19.782 19.000 -0.003 0.000 1.296 21 A HN 0.853 nan 8.150 nan 0.000 0.431 22 G N -0.647 108.153 108.800 -0.000 0.000 2.187 22 G HA2 0.230 4.191 3.960 0.001 0.000 0.261 22 G HA3 0.230 4.191 3.960 0.001 0.000 0.261 22 G C 1.867 176.767 174.900 0.001 0.000 1.000 22 G CA 1.545 46.645 45.100 0.001 0.000 0.718 22 G HN 2.997 nan 8.290 nan 0.000 0.519 23 G N -1.782 107.018 108.800 -0.000 0.000 2.246 23 G HA2 -0.138 3.823 3.960 0.001 0.000 0.273 23 G HA3 -0.138 3.823 3.960 0.001 0.000 0.273 23 G C 0.259 175.161 174.900 0.002 0.000 1.055 23 G CA 1.177 46.278 45.100 0.001 0.000 0.851 23 G HN 1.050 nan 8.290 nan 0.000 0.500 24 R N -1.394 119.105 120.500 -0.001 0.000 2.795 24 R HA 0.612 4.952 4.340 0.001 0.000 0.268 24 R C -0.323 175.968 176.300 -0.015 0.000 1.041 24 R CA -0.935 55.164 56.100 -0.001 0.000 0.927 24 R CB 1.188 31.491 30.300 0.004 0.000 1.235 24 R HN 0.297 nan 8.270 nan 0.000 0.463 25 R N 0.576 121.062 120.500 -0.023 0.000 2.451 25 R HA 0.522 4.862 4.340 0.001 0.000 0.307 25 R C -0.966 175.288 176.300 -0.077 0.000 0.965 25 R CA -0.688 55.374 56.100 -0.062 0.000 0.865 25 R CB 2.114 32.369 30.300 -0.075 0.000 1.174 25 R HN 0.176 nan 8.270 nan 0.000 0.455 26 V N 4.481 124.341 119.914 -0.091 0.000 2.487 26 V HA 0.315 4.436 4.120 0.001 0.000 0.298 26 V C -0.212 175.798 176.094 -0.141 0.000 1.028 26 V CA -0.858 61.392 62.300 -0.083 0.000 0.860 26 V CB 2.139 33.944 31.823 -0.031 0.000 0.991 26 V HN 0.579 nan 8.190 nan 0.000 0.427 27 L N 6.394 127.505 121.223 -0.187 0.000 2.264 27 L HA 0.544 4.884 4.340 0.001 0.000 0.289 27 L C -0.780 176.032 176.870 -0.096 0.000 1.044 27 L CA -0.314 54.382 54.840 -0.241 0.000 0.807 27 L CB 1.297 43.124 42.059 -0.387 0.000 1.192 27 L HN 0.589 nan 8.230 nan 0.000 0.425 28 L N 5.557 126.743 121.223 -0.062 0.000 2.262 28 L HA 0.388 4.728 4.340 0.001 0.000 0.288 28 L C -0.502 176.414 176.870 0.077 0.000 1.035 28 L CA -0.612 54.273 54.840 0.075 0.000 0.820 28 L CB 0.862 42.947 42.059 0.043 0.000 1.204 28 L HN 0.644 nan 8.230 nan 0.000 0.424 29 D N 1.125 121.609 120.400 0.139 0.000 10.873 29 D HA -0.240 4.401 4.640 0.001 0.000 0.355 29 D C -0.718 175.562 176.300 -0.032 0.000 3.125 29 D CA 0.413 54.462 54.000 0.082 0.000 2.637 29 D CB -0.103 40.752 40.800 0.091 0.000 1.188 29 D HN 0.732 nan 8.370 nan 0.000 0.939 30 C N 2.400 121.687 119.300 -0.023 0.000 3.253 30 C HA 0.557 5.018 4.460 0.001 0.000 0.230 30 C C 0.624 175.626 174.990 0.021 0.000 1.124 30 C CA 0.443 59.468 59.018 0.011 0.000 1.143 30 C CB -0.602 27.159 27.740 0.036 0.000 1.794 30 C HN 0.657 nan 8.230 nan 0.000 0.617 31 G N 2.525 111.276 108.800 -0.081 0.000 2.528 31 G HA2 0.628 4.589 3.960 0.001 0.000 0.289 31 G HA3 0.628 4.589 3.960 0.001 0.000 0.289 31 G C -0.293 174.507 174.900 -0.168 0.000 1.192 31 G CA -0.542 44.510 45.100 -0.080 0.000 0.921 31 G HN 0.828 nan 8.290 nan 0.000 0.512 32 M N -0.651 118.888 119.600 -0.101 0.000 2.478 32 M HA 0.693 5.173 4.480 0.001 0.000 0.327 32 M C -1.239 174.918 176.300 -0.238 0.000 1.187 32 M CA -0.669 54.543 55.300 -0.147 0.000 1.022 32 M CB 1.579 34.264 32.600 0.142 0.000 1.629 32 M HN 0.217 nan 8.290 nan 0.000 0.461 33 F N 1.406 121.323 119.950 -0.055 0.000 2.429 33 F HA 0.408 4.936 4.527 0.001 0.000 0.348 33 F C 0.548 176.338 175.800 -0.016 0.000 1.109 33 F CA 0.159 58.130 58.000 -0.048 0.000 1.232 33 F CB 0.735 39.672 39.000 -0.104 0.000 1.157 33 F HN 0.623 nan 8.300 nan 0.000 0.564 34 Q N 0.474 120.375 119.800 0.169 0.000 2.605 34 Q HA 0.571 4.912 4.340 0.001 0.000 0.296 34 Q C 0.699 176.768 176.000 0.114 0.000 1.056 34 Q CA -0.569 55.313 55.803 0.131 0.000 0.778 34 Q CB 2.120 30.928 28.738 0.118 0.000 1.497 34 Q HN 0.800 nan 8.270 nan 0.000 0.443 35 G N 1.615 110.479 108.800 0.107 0.000 2.793 35 G HA2 -0.427 3.533 3.960 0.001 0.000 0.334 35 G HA3 -0.427 3.533 3.960 0.001 0.000 0.334 35 G C 0.557 175.499 174.900 0.070 0.000 1.186 35 G CA 1.033 46.190 45.100 0.094 0.000 0.960 35 G HN 0.539 nan 8.290 nan 0.000 0.562 36 K N 1.533 121.970 120.400 0.061 0.000 2.551 36 K HA 0.204 4.525 4.320 0.001 0.000 0.204 36 K C 0.691 177.297 176.600 0.011 0.000 1.033 36 K CA 0.725 57.032 56.287 0.033 0.000 1.187 36 K CB -0.057 32.460 32.500 0.029 0.000 0.900 36 K HN 0.502 nan 8.250 nan 0.000 0.499 37 E N -1.160 119.055 120.200 0.025 0.000 2.642 37 E HA -0.058 4.292 4.350 0.001 0.000 0.206 37 E C 0.487 177.072 176.600 -0.025 0.000 0.939 37 E CA 0.026 56.408 56.400 -0.030 0.000 1.372 37 E CB 0.207 29.904 29.700 -0.004 0.000 1.334 37 E HN 0.226 nan 8.360 nan 0.000 0.709 38 E N 1.668 121.895 120.200 0.045 0.000 2.355 38 E HA -0.266 4.085 4.350 0.001 0.000 0.209 38 E C 1.786 178.363 176.600 -0.039 0.000 1.050 38 E CA 1.619 58.045 56.400 0.044 0.000 0.843 38 E CB 0.003 29.751 29.700 0.079 0.000 0.742 38 E HN 0.293 nan 8.360 nan 0.000 0.489 39 A N 0.262 123.054 122.820 -0.047 0.000 2.014 39 A HA -0.086 4.234 4.320 0.001 0.000 0.218 39 A C 1.807 179.303 177.584 -0.146 0.000 1.163 39 A CA 0.690 52.716 52.037 -0.019 0.000 0.652 39 A CB -0.102 18.899 19.000 0.002 0.000 0.808 39 A HN 0.090 nan 8.150 nan 0.000 0.449 40 R N -0.021 120.306 120.500 -0.289 0.000 2.328 40 R HA -0.037 4.303 4.340 0.001 0.000 0.207 40 R C 0.811 176.851 176.300 -0.434 0.000 1.056 40 R CA 0.941 56.769 56.100 -0.455 0.000 1.016 40 R CB -0.427 29.337 30.300 -0.892 0.000 0.872 40 R HN 0.672 nan 8.270 nan 0.000 0.471 41 N N -0.202 118.168 118.700 -0.549 0.000 2.573 41 N HA -0.092 4.649 4.740 0.001 0.000 0.187 41 N C 0.786 175.693 175.510 -1.005 0.000 1.107 41 N CA 0.391 52.913 53.050 -0.881 0.000 0.918 41 N CB 0.129 37.678 38.487 -1.563 0.000 0.966 41 N HN 0.321 nan 8.380 nan 0.000 0.448 42 H N -0.476 118.379 119.070 -0.357 0.000 2.592 42 H HA 0.286 4.843 4.556 0.001 0.000 0.265 42 H C 0.713 175.926 175.328 -0.192 0.000 0.955 42 H CA -0.104 55.818 56.048 -0.210 0.000 1.175 42 H CB 0.123 29.824 29.762 -0.101 0.000 1.433 42 H HN 0.108 nan 8.280 nan 0.000 0.537 43 A N 3.814 126.540 122.820 -0.158 0.000 2.407 43 A HA 0.280 4.601 4.320 0.001 0.000 0.248 43 A C -1.712 175.760 177.584 -0.188 0.000 1.082 43 A CA -1.082 50.864 52.037 -0.150 0.000 0.785 43 A CB 0.043 18.926 19.000 -0.196 0.000 1.020 43 A HN 0.024 nan 8.150 nan 0.000 0.489 44 P HA -0.008 nan 4.420 nan 0.000 0.269 44 P C 0.250 177.463 177.300 -0.146 0.000 1.217 44 P CA 0.075 63.090 63.100 -0.142 0.000 0.783 44 P CB 0.270 31.936 31.700 -0.055 0.000 0.898 45 F N 0.807 120.608 119.950 -0.248 0.000 2.126 45 F HA -0.027 4.501 4.527 0.001 0.000 0.299 45 F C 2.282 177.889 175.800 -0.322 0.000 1.096 45 F CA 2.651 60.395 58.000 -0.426 0.000 1.255 45 F CB -0.863 37.438 39.000 -1.165 0.000 0.997 45 F HN 0.638 nan 8.300 nan 0.000 0.479 46 G N -1.230 107.491 108.800 -0.131 0.000 2.211 46 G HA2 -0.178 3.783 3.960 0.001 0.000 0.201 46 G HA3 -0.178 3.783 3.960 0.001 0.000 0.201 46 G C 0.046 174.917 174.900 -0.049 0.000 0.997 46 G CA -0.123 45.040 45.100 0.105 0.000 0.652 46 G HN 0.456 nan 8.290 nan 0.000 0.500 47 F N -0.804 118.947 119.950 -0.333 0.000 2.685 47 F HA 0.785 5.312 4.527 0.001 0.000 0.315 47 F C -1.064 174.630 175.800 -0.177 0.000 1.126 47 F CA -1.841 55.986 58.000 -0.289 0.000 0.950 47 F CB 0.998 39.678 39.000 -0.535 0.000 1.360 47 F HN -0.087 nan 8.300 nan 0.000 0.469 48 D N 3.133 123.564 120.400 0.053 0.000 2.411 48 D HA 0.310 4.951 4.640 0.001 0.000 0.225 48 D C -1.587 174.739 176.300 0.043 0.000 1.156 48 D CA -2.563 51.431 54.000 -0.010 0.000 0.874 48 D CB 1.370 42.190 40.800 0.032 0.000 1.034 48 D HN 0.305 nan 8.370 nan 0.000 0.502 49 P HA -0.138 nan 4.420 nan 0.000 0.226 49 P C 0.725 178.046 177.300 0.035 0.000 1.146 49 P CA 0.789 63.838 63.100 -0.086 0.000 0.773 49 P CB 0.436 31.984 31.700 -0.253 0.000 0.772 50 K N -0.275 120.147 120.400 0.036 0.000 2.296 50 K HA -0.019 4.301 4.320 0.001 0.000 0.200 50 K C 1.325 177.964 176.600 0.065 0.000 1.048 50 K CA 0.655 56.973 56.287 0.051 0.000 0.966 50 K CB 0.084 32.596 32.500 0.021 0.000 0.754 50 K HN 0.076 nan 8.250 nan 0.000 0.466 51 E N 0.791 121.029 120.200 0.062 0.000 2.444 51 E HA 0.054 4.404 4.350 0.001 0.000 0.191 51 E C -0.423 176.203 176.600 0.044 0.000 1.041 51 E CA 0.055 56.485 56.400 0.051 0.000 0.883 51 E CB 0.476 30.201 29.700 0.042 0.000 1.024 51 E HN -0.066 nan 8.360 nan 0.000 0.470 52 V N 2.371 122.322 119.914 0.061 0.000 2.461 52 V HA 0.033 4.154 4.120 0.001 0.000 0.275 52 V C 1.163 177.345 176.094 0.148 0.000 1.047 52 V CA -0.120 62.172 62.300 -0.013 0.000 0.955 52 V CB 1.491 33.156 31.823 -0.264 0.000 0.988 52 V HN 0.047 nan 8.190 nan 0.000 0.471 53 D N 3.250 123.702 120.400 0.086 0.000 2.183 53 D HA 0.207 4.847 4.640 0.001 0.000 0.205 53 D C 0.600 177.027 176.300 0.212 0.000 0.962 53 D CA 1.295 55.376 54.000 0.134 0.000 0.849 53 D CB 0.745 41.588 40.800 0.071 0.000 0.978 53 D HN 0.663 nan 8.370 nan 0.000 0.488 54 A N -0.152 122.760 122.820 0.153 0.000 2.612 54 A HA 0.556 4.876 4.320 0.001 0.000 0.293 54 A C -1.425 176.204 177.584 0.074 0.000 1.075 54 A CA -0.555 51.612 52.037 0.216 0.000 0.680 54 A CB 1.707 20.870 19.000 0.272 0.000 1.279 54 A HN -0.104 nan 8.150 nan 0.000 0.411 55 V N 0.762 120.756 119.914 0.135 0.000 2.656 55 V HA 0.651 4.772 4.120 0.001 0.000 0.307 55 V C -1.157 175.055 176.094 0.197 0.000 1.051 55 V CA -0.439 61.892 62.300 0.052 0.000 0.893 55 V CB 1.514 33.317 31.823 -0.033 0.000 0.999 55 V HN 0.725 nan 8.190 nan 0.000 0.426 56 L N 4.996 126.332 121.223 0.188 0.000 2.362 56 L HA 0.624 4.965 4.340 0.001 0.000 0.275 56 L C -0.946 176.116 176.870 0.320 0.000 0.998 56 L CA -0.294 54.730 54.840 0.307 0.000 0.820 56 L CB 1.812 44.024 42.059 0.256 0.000 1.270 56 L HN 0.385 nan 8.230 nan 0.000 0.415 57 L N 2.213 123.638 121.223 0.338 0.000 2.305 57 L HA 0.425 4.765 4.340 0.001 0.000 0.284 57 L C 1.363 178.285 176.870 0.087 0.000 1.013 57 L CA -0.002 54.955 54.840 0.194 0.000 0.819 57 L CB 1.464 43.586 42.059 0.106 0.000 1.227 57 L HN 0.817 nan 8.230 nan 0.000 0.417 58 T N -0.832 113.771 114.554 0.081 0.000 2.904 58 T HA 0.020 4.371 4.350 0.001 0.000 0.267 58 T C 0.556 175.196 174.700 -0.100 0.000 1.059 58 T CA 1.185 63.239 62.100 -0.077 0.000 1.137 58 T CB -0.267 68.653 68.868 0.086 0.000 0.879 58 T HN 0.669 nan 8.240 nan 0.000 0.467 59 H N -2.569 116.416 119.070 -0.142 0.000 2.932 59 H HA 0.645 5.202 4.556 0.001 0.000 0.307 59 H C 0.686 175.936 175.328 -0.131 0.000 1.391 59 H CA -0.455 55.466 56.048 -0.212 0.000 1.130 59 H CB 1.108 30.708 29.762 -0.269 0.000 1.836 59 H HN 0.013 nan 8.280 nan 0.000 0.522 60 A N 0.034 122.812 122.820 -0.070 0.000 2.119 60 A HA -0.008 4.313 4.320 0.001 0.000 0.216 60 A C 0.579 178.186 177.584 0.037 0.000 1.152 60 A CA 0.218 52.219 52.037 -0.060 0.000 0.708 60 A CB -1.307 17.644 19.000 -0.082 0.000 0.805 60 A HN 0.692 nan 8.150 nan 0.000 0.460 61 H N -1.176 117.959 119.070 0.109 0.000 3.092 61 H HA -0.001 4.555 4.556 0.001 0.000 0.332 61 H C 1.307 176.691 175.328 0.095 0.000 1.029 61 H CA -0.197 55.925 56.048 0.123 0.000 1.376 61 H CB 0.605 30.507 29.762 0.232 0.000 1.329 61 H HN 0.238 nan 8.280 nan 0.000 0.598 62 L N 2.832 124.208 121.223 0.255 0.000 2.081 62 L HA -0.222 4.118 4.340 0.001 0.000 0.212 62 L C 1.850 178.823 176.870 0.171 0.000 1.080 62 L CA 1.943 56.892 54.840 0.182 0.000 0.754 62 L CB -0.531 41.629 42.059 0.167 0.000 0.893 62 L HN 0.809 nan 8.230 nan 0.000 0.433 63 D N -3.394 117.126 120.400 0.201 0.000 2.371 63 D HA -0.160 4.481 4.640 0.001 0.000 0.234 63 D C 1.534 177.959 176.300 0.207 0.000 1.049 63 D CA 1.065 55.172 54.000 0.178 0.000 0.907 63 D CB -0.435 40.493 40.800 0.213 0.000 0.891 63 D HN 0.547 nan 8.370 nan 0.000 0.531 64 H N -1.124 117.955 119.070 0.015 0.000 3.400 64 H HA 0.152 4.709 4.556 0.001 0.000 0.251 64 H C 1.503 176.808 175.328 -0.038 0.000 1.040 64 H CA 0.787 56.799 56.048 -0.061 0.000 1.175 64 H CB 1.588 31.161 29.762 -0.314 0.000 1.487 64 H HN 0.175 nan 8.280 nan 0.000 0.505 65 V N -2.703 117.273 119.914 0.102 0.000 3.548 65 V HA 0.398 4.518 4.120 0.001 0.000 0.279 65 V C 2.056 178.194 176.094 0.072 0.000 1.446 65 V CA 0.890 63.232 62.300 0.069 0.000 1.023 65 V CB 0.250 32.101 31.823 0.046 0.000 0.820 65 V HN 0.224 nan 8.190 nan 0.000 0.438 66 G N 1.397 110.262 108.800 0.108 0.000 2.503 66 G HA2 -0.263 3.698 3.960 0.001 0.000 0.221 66 G HA3 -0.263 3.698 3.960 0.001 0.000 0.221 66 G C 1.643 176.675 174.900 0.221 0.000 1.131 66 G CA 1.225 46.426 45.100 0.169 0.000 0.756 66 G HN 0.543 nan 8.290 nan 0.000 0.572 67 R N -0.580 120.047 120.500 0.211 0.000 2.317 67 R HA 0.241 4.582 4.340 0.001 0.000 0.208 67 R C 2.055 178.529 176.300 0.291 0.000 0.914 67 R CA -0.379 55.914 56.100 0.321 0.000 1.060 67 R CB -0.109 30.363 30.300 0.287 0.000 1.015 67 R HN 0.310 nan 8.270 nan 0.000 0.498 68 L N 2.629 123.939 121.223 0.145 0.000 1.990 68 L HA -0.129 4.212 4.340 0.001 0.000 0.213 68 L C -0.948 176.047 176.870 0.207 0.000 1.072 68 L CA 2.177 57.114 54.840 0.162 0.000 0.755 68 L CB -0.888 41.231 42.059 0.101 0.000 0.889 68 L HN 0.043 nan 8.230 nan 0.000 0.432 69 P HA -0.248 nan 4.420 nan 0.000 0.218 69 P C 1.449 178.819 177.300 0.116 0.000 1.148 69 P CA 1.752 64.758 63.100 -0.157 0.000 0.822 69 P CB -0.130 31.050 31.700 -0.866 0.000 0.784 70 K N -0.330 120.201 120.400 0.219 0.000 2.097 70 K HA -0.136 4.185 4.320 0.001 0.000 0.206 70 K C 2.213 179.077 176.600 0.440 0.000 1.049 70 K CA 0.774 57.298 56.287 0.395 0.000 0.933 70 K CB -0.629 32.143 32.500 0.453 0.000 0.717 70 K HN -0.051 nan 8.250 nan 0.000 0.442 71 L N 0.530 122.027 121.223 0.456 0.000 2.042 71 L HA -0.142 4.199 4.340 0.001 0.000 0.210 71 L C 1.887 178.803 176.870 0.077 0.000 1.076 71 L CA 1.704 56.640 54.840 0.159 0.000 0.749 71 L CB -0.378 41.592 42.059 -0.148 0.000 0.893 71 L HN 0.146 nan 8.230 nan 0.000 0.432 72 F N -0.653 119.366 119.950 0.114 0.000 2.163 72 F HA -0.102 4.426 4.527 0.001 0.000 0.297 72 F C 2.719 178.558 175.800 0.064 0.000 1.094 72 F CA 1.480 59.517 58.000 0.062 0.000 1.290 72 F CB -0.545 38.443 39.000 -0.020 0.000 1.017 72 F HN 0.016 nan 8.300 nan 0.000 0.483 73 R N 1.036 121.702 120.500 0.275 0.000 2.103 73 R HA -0.194 4.146 4.340 0.001 0.000 0.242 73 R C 1.382 177.773 176.300 0.152 0.000 1.142 73 R CA 1.936 58.157 56.100 0.201 0.000 0.960 73 R CB -0.394 30.039 30.300 0.221 0.000 0.858 73 R HN 0.329 nan 8.270 nan 0.000 0.439 74 E N -1.349 118.946 120.200 0.158 0.000 2.485 74 E HA 0.043 4.394 4.350 0.001 0.000 0.194 74 E C 0.732 177.367 176.600 0.058 0.000 1.098 74 E CA 0.362 56.829 56.400 0.110 0.000 0.878 74 E CB 0.534 30.319 29.700 0.142 0.000 0.939 74 E HN 0.714 nan 8.360 nan 0.000 0.503 75 G N 1.194 110.021 108.800 0.044 0.000 2.436 75 G HA2 -0.299 3.661 3.960 0.001 0.000 0.204 75 G HA3 -0.299 3.661 3.960 0.001 0.000 0.204 75 G C 0.006 174.869 174.900 -0.062 0.000 1.026 75 G CA -0.245 44.858 45.100 0.004 0.000 0.658 75 G HN 0.398 nan 8.290 nan 0.000 0.499 76 Y N 2.927 123.074 120.300 -0.255 0.000 2.810 76 Y HA 0.409 4.959 4.550 0.001 0.000 0.332 76 Y C 1.265 176.821 175.900 -0.573 0.000 1.243 76 Y CA 0.689 58.534 58.100 -0.425 0.000 1.537 76 Y CB 0.502 38.605 38.460 -0.594 0.000 1.265 76 Y HN 0.133 nan 8.280 nan 0.000 0.572 77 R N 4.561 124.414 120.500 -1.078 0.000 2.590 77 R HA 0.212 4.553 4.340 0.001 0.000 0.410 77 R C 0.382 176.239 176.300 -0.738 0.000 1.010 77 R CA 0.312 55.954 56.100 -0.763 0.000 1.155 77 R CB 0.578 30.736 30.300 -0.236 0.000 1.455 77 R HN 0.871 nan 8.270 nan 0.000 0.567 78 G N 2.129 109.982 108.800 -1.578 0.000 2.563 78 G HA2 0.336 4.296 3.960 0.001 0.000 0.283 78 G HA3 0.336 4.296 3.960 0.001 0.000 0.283 78 G C -2.368 172.466 174.900 -0.109 0.000 1.309 78 G CA -0.789 43.922 45.100 -0.649 0.000 1.022 78 G HN -0.106 nan 8.290 nan 0.000 0.501 79 P HA 0.338 nan 4.420 nan 0.000 0.276 79 P C -0.937 176.409 177.300 0.076 0.000 1.252 79 P CA -0.323 62.797 63.100 0.033 0.000 0.802 79 P CB 1.724 33.316 31.700 -0.180 0.000 1.035 80 V N 2.210 122.070 119.914 -0.089 0.000 2.488 80 V HA 0.254 4.375 4.120 0.001 0.000 0.293 80 V C -0.710 175.290 176.094 -0.156 0.000 1.027 80 V CA -0.476 61.837 62.300 0.021 0.000 0.862 80 V CB 0.619 32.557 31.823 0.191 0.000 1.008 80 V HN 0.391 nan 8.190 nan 0.000 0.428 81 Y N 2.798 123.173 120.300 0.124 0.000 2.334 81 Y HA 0.842 5.393 4.550 0.001 0.000 0.328 81 Y C 0.517 176.543 175.900 0.210 0.000 1.130 81 Y CA -0.242 57.922 58.100 0.105 0.000 1.163 81 Y CB 1.952 40.414 38.460 0.003 0.000 1.207 81 Y HN 0.796 nan 8.280 nan 0.000 0.471 82 A N 0.495 123.536 122.820 0.368 0.000 2.586 82 A HA 0.570 4.891 4.320 0.001 0.000 0.291 82 A C -0.389 177.291 177.584 0.161 0.000 1.062 82 A CA -0.721 51.495 52.037 0.299 0.000 0.666 82 A CB 0.245 19.302 19.000 0.094 0.000 1.281 82 A HN 0.721 nan 8.150 nan 0.000 0.421 83 T N -1.067 113.454 114.554 -0.054 0.000 2.802 83 T HA 0.322 4.673 4.350 0.001 0.000 0.305 83 T C 1.137 175.757 174.700 -0.134 0.000 1.053 83 T CA 0.468 62.486 62.100 -0.136 0.000 1.058 83 T CB 0.597 69.254 68.868 -0.352 0.000 0.988 83 T HN 0.878 nan 8.240 nan 0.000 0.539 84 R N 1.523 121.981 120.500 -0.069 0.000 2.081 84 R HA 0.001 4.342 4.340 0.001 0.000 0.235 84 R C 2.578 178.727 176.300 -0.251 0.000 1.131 84 R CA 2.038 58.092 56.100 -0.076 0.000 0.960 84 R CB -1.422 28.913 30.300 0.058 0.000 0.856 84 R HN 0.864 nan 8.270 nan 0.000 0.436 85 A N -0.947 121.496 122.820 -0.628 0.000 1.940 85 A HA -0.156 4.164 4.320 0.001 0.000 0.219 85 A C 2.219 179.534 177.584 -0.449 0.000 1.176 85 A CA 2.130 53.705 52.037 -0.770 0.000 0.631 85 A CB -0.984 17.078 19.000 -1.563 0.000 0.814 85 A HN 0.476 nan 8.150 nan 0.000 0.446 86 T N -0.654 113.669 114.554 -0.385 0.000 2.812 86 T HA -0.075 4.276 4.350 0.001 0.000 0.264 86 T C 1.875 176.485 174.700 -0.150 0.000 1.042 86 T CA 1.391 63.347 62.100 -0.240 0.000 1.140 86 T CB -0.311 68.432 68.868 -0.208 0.000 0.870 86 T HN 0.154 nan 8.240 nan 0.000 0.445 87 V N 1.626 121.463 119.914 -0.128 0.000 2.332 87 V HA -0.126 3.994 4.120 0.001 0.000 0.248 87 V C 2.426 178.473 176.094 -0.077 0.000 1.055 87 V CA 1.496 63.749 62.300 -0.078 0.000 1.038 87 V CB -0.596 31.192 31.823 -0.058 0.000 0.651 87 V HN 0.443 nan 8.190 nan 0.000 0.450 88 L N -1.065 120.099 121.223 -0.099 0.000 2.044 88 L HA -0.130 4.211 4.340 0.001 0.000 0.205 88 L C 2.380 179.212 176.870 -0.062 0.000 1.075 88 L CA 1.390 56.186 54.840 -0.074 0.000 0.747 88 L CB -0.488 41.523 42.059 -0.081 0.000 0.903 88 L HN 0.280 nan 8.230 nan 0.000 0.435 89 L N -0.989 120.182 121.223 -0.087 0.000 2.131 89 L HA -0.228 4.112 4.340 0.001 0.000 0.210 89 L C 2.691 179.541 176.870 -0.034 0.000 1.092 89 L CA 1.158 55.964 54.840 -0.057 0.000 0.759 89 L CB -0.322 41.682 42.059 -0.091 0.000 0.903 89 L HN 0.312 nan 8.230 nan 0.000 0.435 90 M N -0.600 118.973 119.600 -0.045 0.000 2.080 90 M HA -0.282 4.199 4.480 0.001 0.000 0.260 90 M C 2.293 178.584 176.300 -0.016 0.000 1.068 90 M CA 1.882 57.167 55.300 -0.025 0.000 1.109 90 M CB -0.419 32.160 32.600 -0.035 0.000 1.342 90 M HN 0.265 nan 8.290 nan 0.000 0.405 91 E N 0.963 121.148 120.200 -0.024 0.000 2.070 91 E HA -0.242 4.109 4.350 0.001 0.000 0.197 91 E C 1.780 178.380 176.600 -0.000 0.000 1.004 91 E CA 1.687 58.076 56.400 -0.018 0.000 0.805 91 E CB -0.156 29.531 29.700 -0.022 0.000 0.744 91 E HN 0.525 nan 8.360 nan 0.000 0.451 92 I N 0.408 120.980 120.570 0.004 0.000 2.179 92 I HA -0.264 3.907 4.170 0.001 0.000 0.242 92 I C 2.492 178.630 176.117 0.034 0.000 1.088 92 I CA 0.813 62.123 61.300 0.017 0.000 1.357 92 I CB -0.315 37.694 38.000 0.015 0.000 1.051 92 I HN 0.083 nan 8.210 nan 0.000 0.409 93 V N 0.694 120.631 119.914 0.040 0.000 2.255 93 V HA -0.283 3.837 4.120 0.001 0.000 0.247 93 V C 2.429 178.567 176.094 0.073 0.000 1.051 93 V CA 1.657 63.998 62.300 0.067 0.000 1.018 93 V CB -0.533 31.336 31.823 0.077 0.000 0.641 93 V HN 0.276 nan 8.190 nan 0.000 0.445 94 L N -0.194 121.057 121.223 0.048 0.000 2.046 94 L HA -0.111 4.230 4.340 0.001 0.000 0.208 94 L C 2.582 179.500 176.870 0.079 0.000 1.077 94 L CA 1.717 56.586 54.840 0.048 0.000 0.747 94 L CB -1.150 40.897 42.059 -0.019 0.000 0.896 94 L HN 0.338 nan 8.230 nan 0.000 0.432 95 E N -0.513 119.718 120.200 0.052 0.000 2.085 95 E HA -0.266 4.085 4.350 0.001 0.000 0.194 95 E C 1.883 178.522 176.600 0.064 0.000 0.994 95 E CA 1.394 57.827 56.400 0.054 0.000 0.801 95 E CB -0.448 29.272 29.700 0.032 0.000 0.743 95 E HN 0.587 nan 8.360 nan 0.000 0.453 96 D N 0.585 121.023 120.400 0.064 0.000 2.097 96 D HA -0.141 4.500 4.640 0.001 0.000 0.195 96 D C 1.872 178.220 176.300 0.081 0.000 0.989 96 D CA 1.447 55.487 54.000 0.067 0.000 0.827 96 D CB 0.161 41.002 40.800 0.069 0.000 0.966 96 D HN 0.060 nan 8.370 nan 0.000 0.456 97 A N 1.459 124.346 122.820 0.112 0.000 1.908 97 A HA -0.152 4.169 4.320 0.001 0.000 0.218 97 A C 2.547 180.191 177.584 0.100 0.000 1.181 97 A CA 0.986 53.107 52.037 0.140 0.000 0.627 97 A CB -0.924 18.211 19.000 0.224 0.000 0.818 97 A HN 0.419 nan 8.150 nan 0.000 0.445 98 L N -0.780 120.518 121.223 0.125 0.000 1.994 98 L HA -0.219 4.122 4.340 0.001 0.000 0.208 98 L C 2.676 179.544 176.870 -0.004 0.000 1.071 98 L CA 2.299 57.174 54.840 0.059 0.000 0.745 98 L CB -0.353 41.776 42.059 0.115 0.000 0.892 98 L HN 0.536 nan 8.230 nan 0.000 0.431 99 K N -0.433 119.982 120.400 0.024 0.000 2.002 99 K HA -0.199 4.122 4.320 0.001 0.000 0.209 99 K C 1.871 178.476 176.600 0.009 0.000 1.048 99 K CA 2.195 58.491 56.287 0.015 0.000 0.930 99 K CB -0.139 32.378 32.500 0.028 0.000 0.714 99 K HN 0.389 nan 8.250 nan 0.000 0.438 100 V N -0.801 119.126 119.914 0.022 0.000 2.809 100 V HA 0.018 4.138 4.120 0.001 0.000 0.256 100 V C 1.092 177.190 176.094 0.008 0.000 1.080 100 V CA 0.510 62.825 62.300 0.026 0.000 1.102 100 V CB -0.563 31.290 31.823 0.050 0.000 0.705 100 V HN 0.216 nan 8.190 nan 0.000 0.475 101 M N 2.531 122.116 119.600 -0.026 0.000 2.364 101 M HA 0.149 4.629 4.480 0.001 0.000 0.342 101 M C 0.683 176.936 176.300 -0.079 0.000 1.601 101 M CA 0.449 55.704 55.300 -0.076 0.000 1.156 101 M CB 0.420 32.885 32.600 -0.226 0.000 1.912 101 M HN 0.434 nan 8.290 nan 0.000 0.460 102 D N 2.205 122.582 120.400 -0.039 0.000 2.113 102 D HA -0.062 4.579 4.640 0.001 0.000 0.206 102 D C -0.053 176.216 176.300 -0.052 0.000 0.979 102 D CA 1.221 55.202 54.000 -0.031 0.000 0.862 102 D CB 0.080 40.878 40.800 -0.003 0.000 1.013 102 D HN 0.597 nan 8.370 nan 0.000 0.455 103 E N 1.482 121.660 120.200 -0.037 0.000 2.751 103 E HA 0.192 4.543 4.350 0.001 0.000 0.219 103 E C -2.283 174.290 176.600 -0.044 0.000 1.060 103 E CA -1.569 54.803 56.400 -0.046 0.000 0.893 103 E CB 1.173 30.856 29.700 -0.029 0.000 1.300 103 E HN 0.244 nan 8.360 nan 0.000 0.433 104 P HA -0.002 nan 4.420 nan 0.000 0.272 104 P C 0.042 177.204 177.300 -0.230 0.000 1.230 104 P CA -0.142 62.705 63.100 -0.422 0.000 0.788 104 P CB 0.381 31.579 31.700 -0.837 0.000 0.949 105 F N -0.580 119.327 119.950 -0.072 0.000 2.645 105 F HA 0.441 4.969 4.527 0.001 0.000 0.300 105 F C 0.101 176.020 175.800 0.198 0.000 1.115 105 F CA -1.066 57.030 58.000 0.161 0.000 1.355 105 F CB -0.615 38.584 39.000 0.332 0.000 1.026 105 F HN 0.114 nan 8.300 nan 0.000 0.536 106 F N -1.469 118.370 119.950 -0.187 0.000 2.693 106 F HA 0.881 5.408 4.527 0.001 0.000 0.309 106 F C -0.168 175.573 175.800 -0.098 0.000 1.129 106 F CA -1.903 56.037 58.000 -0.101 0.000 0.948 106 F CB 0.710 39.630 39.000 -0.133 0.000 1.315 106 F HN 0.010 nan 8.300 nan 0.000 0.447 107 G N 0.189 109.124 108.800 0.225 0.000 2.552 107 G HA2 0.602 4.563 3.960 0.001 0.000 0.318 107 G HA3 0.602 4.563 3.960 0.001 0.000 0.318 107 G C -2.297 172.723 174.900 0.199 0.000 1.240 107 G CA -1.905 43.265 45.100 0.118 0.000 1.002 107 G HN 0.506 nan 8.290 nan 0.000 0.493 108 P HA -0.083 nan 4.420 nan 0.000 0.223 108 P C 1.284 178.624 177.300 0.068 0.000 1.151 108 P CA 1.099 64.254 63.100 0.092 0.000 0.787 108 P CB 0.286 32.014 31.700 0.047 0.000 0.788 109 E N 0.656 120.895 120.200 0.064 0.000 2.152 109 E HA -0.165 4.185 4.350 0.001 0.000 0.192 109 E C 1.223 177.844 176.600 0.035 0.000 0.983 109 E CA 1.037 57.463 56.400 0.043 0.000 0.818 109 E CB -1.163 28.566 29.700 0.048 0.000 0.758 109 E HN 0.217 nan 8.360 nan 0.000 0.467 110 D N 1.172 121.615 120.400 0.072 0.000 2.178 110 D HA -0.065 4.576 4.640 0.001 0.000 0.202 110 D C 2.181 178.429 176.300 -0.087 0.000 0.974 110 D CA 0.875 54.904 54.000 0.048 0.000 0.841 110 D CB 0.149 41.030 40.800 0.134 0.000 0.953 110 D HN 0.107 nan 8.370 nan 0.000 0.478 111 V N 1.982 121.859 119.914 -0.061 0.000 2.323 111 V HA -0.224 3.897 4.120 0.001 0.000 0.244 111 V C 2.539 178.546 176.094 -0.144 0.000 1.041 111 V CA 2.023 64.246 62.300 -0.128 0.000 1.025 111 V CB -0.606 31.204 31.823 -0.022 0.000 0.656 111 V HN 0.312 nan 8.190 nan 0.000 0.451 112 E N 0.519 120.667 120.200 -0.087 0.000 2.204 112 E HA -0.285 4.066 4.350 0.001 0.000 0.194 112 E C 1.954 178.477 176.600 -0.128 0.000 0.989 112 E CA 1.497 57.846 56.400 -0.086 0.000 0.824 112 E CB -0.268 29.408 29.700 -0.040 0.000 0.756 112 E HN 0.574 nan 8.360 nan 0.000 0.477 113 E N 1.205 121.305 120.200 -0.168 0.000 2.107 113 E HA -0.054 4.296 4.350 0.001 0.000 0.191 113 E C 1.901 178.105 176.600 -0.661 0.000 0.982 113 E CA 1.423 57.694 56.400 -0.214 0.000 0.809 113 E CB -0.222 29.407 29.700 -0.118 0.000 0.756 113 E HN 0.389 nan 8.360 nan 0.000 0.459 114 A N 0.322 122.600 122.820 -0.904 0.000 1.854 114 A HA -0.069 4.251 4.320 0.001 0.000 0.214 114 A C 2.205 179.483 177.584 -0.510 0.000 1.192 114 A CA 1.223 52.508 52.037 -1.254 0.000 0.611 114 A CB -0.743 17.853 19.000 -0.673 0.000 0.832 114 A HN 0.306 nan 8.150 nan 0.000 0.442 115 L N -0.387 120.664 121.223 -0.286 0.000 2.265 115 L HA -0.100 4.240 4.340 0.001 0.000 0.215 115 L C 2.582 179.389 176.870 -0.106 0.000 1.117 115 L CA 0.826 55.578 54.840 -0.147 0.000 0.782 115 L CB -0.586 41.408 42.059 -0.108 0.000 0.914 115 L HN 0.499 nan 8.230 nan 0.000 0.441 116 G N -1.636 107.102 108.800 -0.103 0.000 2.572 116 G HA2 -0.179 3.781 3.960 0.001 0.000 0.216 116 G HA3 -0.179 3.781 3.960 0.001 0.000 0.216 116 G C 0.830 175.661 174.900 -0.114 0.000 1.133 116 G CA 0.141 45.193 45.100 -0.080 0.000 0.791 116 G HN 0.426 nan 8.290 nan 0.000 0.538 117 H N -0.518 118.467 119.070 -0.142 0.000 2.505 117 H HA 0.374 4.930 4.556 0.001 0.000 0.289 117 H C 0.381 175.672 175.328 -0.062 0.000 1.052 117 H CA -0.476 55.546 56.048 -0.044 0.000 1.156 117 H CB 0.123 29.973 29.762 0.147 0.000 1.507 117 H HN 0.127 nan 8.280 nan 0.000 0.548 118 L N 1.761 122.980 121.223 -0.006 0.000 2.313 118 L HA 0.283 4.624 4.340 0.001 0.000 0.282 118 L C 0.261 177.082 176.870 -0.083 0.000 1.092 118 L CA 0.051 54.868 54.840 -0.037 0.000 0.831 118 L CB 0.578 42.617 42.059 -0.034 0.000 1.159 118 L HN 0.143 nan 8.230 nan 0.000 0.442 119 R N 5.065 125.478 120.500 -0.145 0.000 2.494 119 R HA 0.431 4.772 4.340 0.001 0.000 0.305 119 R C -2.496 173.818 176.300 0.023 0.000 0.959 119 R CA -1.857 54.170 56.100 -0.122 0.000 0.864 119 R CB 2.210 32.328 30.300 -0.304 0.000 1.159 119 R HN 0.328 nan 8.270 nan 0.000 0.446 120 P HA 0.124 nan 4.420 nan 0.000 0.276 120 P C -1.007 176.383 177.300 0.150 0.000 1.230 120 P CA -0.352 62.804 63.100 0.093 0.000 0.776 120 P CB 1.055 32.785 31.700 0.050 0.000 0.888 121 L N 2.843 124.155 121.223 0.148 0.000 2.516 121 L HA 0.411 4.751 4.340 0.001 0.000 0.267 121 L C -0.502 176.414 176.870 0.076 0.000 0.957 121 L CA -0.309 54.582 54.840 0.085 0.000 0.860 121 L CB 1.753 43.828 42.059 0.027 0.000 1.265 121 L HN 0.203 nan 8.230 nan 0.000 0.403 122 E N 2.533 122.721 120.200 -0.020 0.000 2.284 122 E HA 0.333 4.684 4.350 0.001 0.000 0.255 122 E C -1.127 175.393 176.600 -0.133 0.000 1.052 122 E CA -0.609 55.721 56.400 -0.117 0.000 0.904 122 E CB 0.508 30.167 29.700 -0.068 0.000 1.217 122 E HN 0.403 nan 8.360 nan 0.000 0.438 123 Y N 0.124 120.435 120.300 0.018 0.000 2.620 123 Y HA 0.243 4.794 4.550 0.001 0.000 0.330 123 Y C 1.721 177.556 175.900 -0.108 0.000 1.186 123 Y CA 1.436 59.502 58.100 -0.057 0.000 1.467 123 Y CB 0.008 38.417 38.460 -0.085 0.000 1.262 123 Y HN 0.764 nan 8.280 nan 0.000 0.550 124 G N 1.674 110.444 108.800 -0.050 0.000 2.225 124 G HA2 -0.277 3.684 3.960 0.001 0.000 0.254 124 G HA3 -0.277 3.684 3.960 0.001 0.000 0.254 124 G C 0.086 174.846 174.900 -0.234 0.000 0.988 124 G CA -0.010 45.020 45.100 -0.118 0.000 0.625 124 G HN 0.581 nan 8.290 nan 0.000 0.527 125 E N -0.435 119.620 120.200 -0.242 0.000 2.313 125 E HA 0.416 4.767 4.350 0.001 0.000 0.276 125 E C -0.497 175.851 176.600 -0.421 0.000 1.031 125 E CA -0.566 55.720 56.400 -0.190 0.000 0.857 125 E CB 0.551 30.184 29.700 -0.112 0.000 1.040 125 E HN 0.369 nan 8.360 nan 0.000 0.408 126 W N 3.197 124.445 121.300 -0.087 0.000 2.469 126 W HA 0.360 5.021 4.660 0.001 0.000 0.320 126 W C -0.603 175.824 176.519 -0.154 0.000 1.086 126 W CA -0.641 56.635 57.345 -0.116 0.000 1.211 126 W CB 0.749 30.163 29.460 -0.075 0.000 1.298 126 W HN 0.312 nan 8.180 nan 0.000 0.525 127 L N 4.228 125.424 121.223 -0.046 0.000 2.322 127 L HA 0.609 4.949 4.340 0.001 0.000 0.281 127 L C -0.530 176.306 176.870 -0.057 0.000 1.014 127 L CA -1.078 53.664 54.840 -0.164 0.000 0.815 127 L CB 1.065 42.845 42.059 -0.464 0.000 1.247 127 L HN 0.382 nan 8.230 nan 0.000 0.421 128 R N 4.762 125.236 120.500 -0.042 0.000 2.387 128 R HA 0.647 4.987 4.340 0.001 0.000 0.314 128 R C -1.586 174.704 176.300 -0.018 0.000 0.958 128 R CA -0.841 55.253 56.100 -0.009 0.000 0.846 128 R CB 1.495 31.799 30.300 0.007 0.000 1.147 128 R HN 0.490 nan 8.270 nan 0.000 0.447 129 L N 2.987 124.204 121.223 -0.010 0.000 2.401 129 L HA 0.339 4.680 4.340 0.001 0.000 0.263 129 L C 0.726 177.600 176.870 0.007 0.000 1.004 129 L CA 0.391 55.233 54.840 0.002 0.000 0.881 129 L CB 1.596 43.656 42.059 0.001 0.000 1.219 129 L HN 0.962 nan 8.230 nan 0.000 0.441 130 G N 2.986 111.791 108.800 0.008 0.000 2.561 130 G HA2 -0.284 3.677 3.960 0.001 0.000 0.289 130 G HA3 -0.284 3.677 3.960 0.001 0.000 0.289 130 G C 0.718 175.619 174.900 0.001 0.000 1.169 130 G CA 0.491 45.594 45.100 0.006 0.000 0.980 130 G HN 0.991 nan 8.290 nan 0.000 0.550 131 A N -0.503 122.317 122.820 0.000 0.000 2.307 131 A HA 0.665 4.986 4.320 0.001 0.000 0.218 131 A C 0.774 178.358 177.584 0.000 0.000 1.228 131 A CA 1.317 53.352 52.037 -0.004 0.000 0.857 131 A CB -0.074 18.923 19.000 -0.005 0.000 0.897 131 A HN 1.566 nan 8.150 nan 0.000 0.495 132 L N -0.053 121.174 121.223 0.007 0.000 2.322 132 L HA 0.654 4.995 4.340 0.001 0.000 0.279 132 L C -0.490 176.401 176.870 0.034 0.000 1.036 132 L CA 0.147 54.997 54.840 0.018 0.000 0.807 132 L CB 1.979 44.046 42.059 0.013 0.000 1.226 132 L HN -0.012 nan 8.230 nan 0.000 0.433 133 S N 5.120 120.865 115.700 0.076 0.000 2.532 133 S HA 0.776 5.246 4.470 0.001 0.000 0.299 133 S C -0.943 173.806 174.600 0.248 0.000 1.105 133 S CA -0.500 57.800 58.200 0.167 0.000 1.018 133 S CB 1.231 64.523 63.200 0.152 0.000 1.021 133 S HN 0.514 nan 8.310 nan 0.000 0.483 134 L N 2.144 123.460 121.223 0.155 0.000 2.370 134 L HA 0.977 5.318 4.340 0.001 0.000 0.266 134 L C -0.315 176.319 176.870 -0.394 0.000 1.002 134 L CA -0.660 54.141 54.840 -0.064 0.000 0.818 134 L CB 1.993 43.946 42.059 -0.176 0.000 1.325 134 L HN 0.760 nan 8.230 nan 0.000 0.418 135 A N 1.329 123.778 122.820 -0.617 0.000 2.594 135 A HA 0.821 5.142 4.320 0.001 0.000 0.295 135 A C -1.652 175.625 177.584 -0.512 0.000 1.071 135 A CA -0.415 51.080 52.037 -0.903 0.000 0.685 135 A CB 1.213 19.110 19.000 -1.837 0.000 1.285 135 A HN 0.353 nan 8.150 nan 0.000 0.405 136 F N 0.855 120.560 119.950 -0.409 0.000 2.385 136 F HA 0.649 5.176 4.527 0.001 0.000 0.336 136 F C 1.072 176.643 175.800 -0.382 0.000 1.100 136 F CA -0.376 57.429 58.000 -0.325 0.000 1.116 136 F CB 1.945 40.782 39.000 -0.271 0.000 1.166 136 F HN 0.746 nan 8.300 nan 0.000 0.511 137 G N 0.988 109.453 108.800 -0.559 0.000 2.511 137 G HA2 0.458 4.418 3.960 0.001 0.000 0.318 137 G HA3 0.458 4.418 3.960 0.001 0.000 0.318 137 G C -1.479 173.000 174.900 -0.702 0.000 1.210 137 G CA -0.711 43.760 45.100 -1.050 0.000 0.969 137 G HN 0.434 nan 8.290 nan 0.000 0.484 138 Q N 0.041 119.573 119.800 -0.446 0.000 2.296 138 Q HA 0.530 4.870 4.340 0.001 0.000 0.263 138 Q C 0.785 176.799 176.000 0.024 0.000 1.026 138 Q CA 0.530 56.109 55.803 -0.373 0.000 0.912 138 Q CB 1.182 29.651 28.738 -0.449 0.000 1.198 138 Q HN 0.546 nan 8.270 nan 0.000 0.407 139 A N 3.602 126.430 122.820 0.014 0.000 2.095 139 A HA 0.363 4.684 4.320 0.001 0.000 0.212 139 A C 1.403 178.949 177.584 -0.064 0.000 1.162 139 A CA 0.540 52.603 52.037 0.043 0.000 0.753 139 A CB -0.517 18.471 19.000 -0.020 0.000 0.840 139 A HN 1.380 nan 8.150 nan 0.000 0.468 140 G N -1.142 107.604 108.800 -0.090 0.000 2.225 140 G HA2 -0.362 3.598 3.960 0.001 0.000 0.267 140 G HA3 -0.362 3.598 3.960 0.001 0.000 0.267 140 G C 0.558 175.388 174.900 -0.116 0.000 1.024 140 G CA 1.252 46.288 45.100 -0.107 0.000 0.784 140 G HN 0.811 nan 8.290 nan 0.000 0.507 141 H N -0.836 118.070 119.070 -0.274 0.000 2.506 141 H HA 0.635 5.191 4.556 0.001 0.000 0.289 141 H C 1.070 176.178 175.328 -0.367 0.000 1.009 141 H CA 1.281 57.105 56.048 -0.373 0.000 1.303 141 H CB 0.281 29.714 29.762 -0.549 0.000 1.453 141 H HN 0.396 nan 8.280 nan 0.000 0.526 142 L N 0.067 120.982 121.223 -0.514 0.000 2.540 142 L HA 0.377 4.717 4.340 0.001 0.000 0.256 142 L C -2.556 174.091 176.870 -0.373 0.000 1.001 142 L CA -2.455 52.085 54.840 -0.501 0.000 0.843 142 L CB 2.727 44.421 42.059 -0.608 0.000 1.436 142 L HN -0.038 nan 8.230 nan 0.000 0.410 143 P HA 0.088 nan 4.420 nan 0.000 0.260 143 P C 0.566 177.572 177.300 -0.489 0.000 1.185 143 P CA 0.989 63.760 63.100 -0.549 0.000 0.763 143 P CB 0.450 31.665 31.700 -0.808 0.000 0.776 144 G N 2.210 110.813 108.800 -0.329 0.000 2.159 144 G HA2 -0.240 3.721 3.960 0.001 0.000 0.256 144 G HA3 -0.240 3.721 3.960 0.001 0.000 0.256 144 G C 0.320 175.098 174.900 -0.203 0.000 0.977 144 G CA 0.201 45.099 45.100 -0.337 0.000 0.652 144 G HN 0.753 nan 8.290 nan 0.000 0.531 145 S N -0.270 115.349 115.700 -0.135 0.000 2.565 145 S HA 0.850 5.321 4.470 0.001 0.000 0.276 145 S C 0.302 174.861 174.600 -0.069 0.000 1.326 145 S CA 0.787 58.905 58.200 -0.137 0.000 1.045 145 S CB 2.204 65.287 63.200 -0.196 0.000 0.918 145 S HN 2.008 nan 8.310 nan 0.000 0.505 146 A N 1.800 124.505 122.820 -0.193 0.000 2.569 146 A HA 0.859 5.180 4.320 0.001 0.000 0.290 146 A C -0.788 176.742 177.584 -0.090 0.000 1.136 146 A CA -1.083 50.835 52.037 -0.198 0.000 0.710 146 A CB 0.901 19.523 19.000 -0.630 0.000 1.303 146 A HN 1.302 nan 8.150 nan 0.000 0.413 147 F N -0.980 118.976 119.950 0.010 0.000 2.575 147 F HA 0.866 5.393 4.527 0.001 0.000 0.330 147 F C -0.736 175.194 175.800 0.217 0.000 1.056 147 F CA -1.441 56.572 58.000 0.021 0.000 0.964 147 F CB 1.079 40.138 39.000 0.098 0.000 1.258 147 F HN 0.310 nan 8.300 nan 0.000 0.484 148 V N 2.159 122.395 119.914 0.537 0.000 2.555 148 V HA 0.603 4.724 4.120 0.001 0.000 0.302 148 V C -0.696 175.646 176.094 0.412 0.000 1.038 148 V CA -0.877 61.684 62.300 0.435 0.000 0.887 148 V CB 1.682 33.759 31.823 0.424 0.000 0.991 148 V HN 0.762 nan 8.190 nan 0.000 0.434 149 V N 3.525 123.579 119.914 0.234 0.000 2.448 149 V HA 0.835 4.955 4.120 0.001 0.000 0.295 149 V C 0.157 176.341 176.094 0.149 0.000 1.025 149 V CA -0.426 62.005 62.300 0.219 0.000 0.859 149 V CB 1.586 33.532 31.823 0.205 0.000 0.988 149 V HN 1.009 nan 8.190 nan 0.000 0.431 150 A N 4.385 127.306 122.820 0.168 0.000 2.343 150 A HA 0.827 5.147 4.320 0.001 0.000 0.308 150 A C -0.824 176.845 177.584 0.142 0.000 1.092 150 A CA -0.578 51.542 52.037 0.138 0.000 0.751 150 A CB 1.775 20.833 19.000 0.095 0.000 1.203 150 A HN 0.584 nan 8.150 nan 0.000 0.452 151 Q N 1.238 121.129 119.800 0.153 0.000 2.337 151 Q HA 0.698 5.038 4.340 0.001 0.000 0.270 151 Q C -0.664 175.369 176.000 0.055 0.000 1.043 151 Q CA -0.141 55.722 55.803 0.101 0.000 0.794 151 Q CB 2.037 30.837 28.738 0.104 0.000 1.281 151 Q HN 1.423 nan 8.270 nan 0.000 0.446 152 G N 1.696 110.514 108.800 0.030 0.000 2.596 152 G HA2 0.380 4.340 3.960 0.001 0.000 0.296 152 G HA3 0.380 4.340 3.960 0.001 0.000 0.296 152 G C -1.168 173.735 174.900 0.004 0.000 1.513 152 G CA -0.510 44.597 45.100 0.012 0.000 0.851 152 G HN 0.657 nan 8.290 nan 0.000 0.548 153 E N -0.661 119.537 120.200 -0.003 0.000 2.476 153 E HA -0.214 4.137 4.350 0.001 0.000 0.251 153 E C 1.369 177.966 176.600 -0.006 0.000 1.130 153 E CA 1.283 57.680 56.400 -0.005 0.000 0.736 153 E CB -1.382 28.317 29.700 -0.003 0.000 1.298 153 E HN 2.456 nan 8.360 nan 0.000 0.400 154 G N 0.053 108.848 108.800 -0.008 0.000 2.203 154 G HA2 -0.378 3.583 3.960 0.001 0.000 0.263 154 G HA3 -0.378 3.583 3.960 0.001 0.000 0.263 154 G C 0.051 174.950 174.900 -0.003 0.000 1.012 154 G CA 0.765 45.860 45.100 -0.009 0.000 0.749 154 G HN 0.221 nan 8.290 nan 0.000 0.512 155 R N -0.553 119.949 120.500 0.004 0.000 2.686 155 R HA 0.664 5.005 4.340 0.001 0.000 0.286 155 R C -0.852 175.462 176.300 0.023 0.000 0.969 155 R CA -0.473 55.633 56.100 0.009 0.000 0.898 155 R CB 1.839 32.143 30.300 0.007 0.000 1.183 155 R HN 0.121 nan 8.270 nan 0.000 0.456 156 T N 2.839 117.409 114.554 0.028 0.000 2.812 156 T HA 0.452 4.803 4.350 0.001 0.000 0.282 156 T C -0.957 173.774 174.700 0.051 0.000 0.990 156 T CA -0.575 61.555 62.100 0.049 0.000 0.960 156 T CB 1.248 70.147 68.868 0.050 0.000 0.948 156 T HN 0.323 nan 8.240 nan 0.000 0.438 157 L N 4.365 125.633 121.223 0.074 0.000 2.365 157 L HA 0.881 5.222 4.340 0.001 0.000 0.273 157 L C -1.430 175.518 176.870 0.129 0.000 1.000 157 L CA -0.612 54.275 54.840 0.079 0.000 0.819 157 L CB 1.805 43.903 42.059 0.066 0.000 1.284 157 L HN 0.436 nan 8.230 nan 0.000 0.418 158 V N 5.213 125.209 119.914 0.137 0.000 2.540 158 V HA 0.382 4.503 4.120 0.001 0.000 0.302 158 V C -1.223 175.045 176.094 0.290 0.000 1.035 158 V CA -0.479 61.948 62.300 0.212 0.000 0.873 158 V CB 1.590 33.480 31.823 0.111 0.000 0.992 158 V HN 0.755 nan 8.190 nan 0.000 0.428 159 Y N 3.915 124.346 120.300 0.217 0.000 2.328 159 Y HA 0.346 4.897 4.550 0.001 0.000 0.337 159 Y C 1.409 177.473 175.900 0.273 0.000 0.966 159 Y CA -0.222 57.985 58.100 0.178 0.000 1.136 159 Y CB 2.112 40.663 38.460 0.151 0.000 1.170 159 Y HN 0.745 nan 8.280 nan 0.000 0.470 160 S N 3.986 119.685 115.700 -0.001 0.000 2.453 160 S HA 0.209 4.679 4.470 0.001 0.000 0.231 160 S C 1.255 175.568 174.600 -0.478 0.000 1.005 160 S CA 0.605 58.666 58.200 -0.232 0.000 0.949 160 S CB -0.646 62.329 63.200 -0.374 0.000 0.774 160 S HN 1.429 nan 8.310 nan 0.000 0.510 161 G N 1.569 109.768 108.800 -1.002 0.000 2.564 161 G HA2 -0.230 3.731 3.960 0.001 0.000 0.273 161 G HA3 -0.230 3.731 3.960 0.001 0.000 0.273 161 G C -1.016 173.713 174.900 -0.285 0.000 1.242 161 G CA 0.281 45.032 45.100 -0.581 0.000 0.951 161 G HN 0.512 nan 8.290 nan 0.000 0.564 162 D N 0.361 120.587 120.400 -0.290 0.000 2.193 162 D HA 0.577 5.217 4.640 0.001 0.000 0.244 162 D C -0.064 175.891 176.300 -0.575 0.000 1.064 162 D CA -0.373 53.285 54.000 -0.570 0.000 0.845 162 D CB 1.566 41.696 40.800 -1.117 0.000 1.148 162 D HN 0.239 nan 8.370 nan 0.000 0.464 163 L N 1.977 122.900 121.223 -0.499 0.000 2.289 163 L HA 0.447 4.788 4.340 0.001 0.000 0.285 163 L C 1.136 177.829 176.870 -0.294 0.000 1.049 163 L CA -0.401 54.169 54.840 -0.450 0.000 0.804 163 L CB 1.211 42.911 42.059 -0.598 0.000 1.195 163 L HN 0.374 nan 8.230 nan 0.000 0.428 164 G N 2.219 110.907 108.800 -0.186 0.000 2.616 164 G HA2 0.060 4.020 3.960 0.001 0.000 0.268 164 G HA3 0.060 4.020 3.960 0.001 0.000 0.268 164 G C -0.040 174.822 174.900 -0.063 0.000 1.213 164 G CA -0.542 44.512 45.100 -0.078 0.000 0.926 164 G HN 0.751 nan 8.290 nan 0.000 0.523 165 N N -0.494 118.181 118.700 -0.042 0.000 2.558 165 N HA 0.086 4.826 4.740 0.001 0.000 0.233 165 N C 1.842 177.312 175.510 -0.066 0.000 1.038 165 N CA -0.521 52.513 53.050 -0.027 0.000 0.934 165 N CB 0.346 38.798 38.487 -0.057 0.000 1.175 165 N HN 0.604 nan 8.380 nan 0.000 0.512 166 R N 2.707 123.181 120.500 -0.042 0.000 2.211 166 R HA -0.184 4.157 4.340 0.001 0.000 0.240 166 R C 0.652 176.907 176.300 -0.076 0.000 1.144 166 R CA 1.440 57.511 56.100 -0.049 0.000 0.992 166 R CB -0.164 30.131 30.300 -0.008 0.000 0.869 166 R HN 0.605 nan 8.270 nan 0.000 0.462 167 E N 0.915 121.070 120.200 -0.076 0.000 2.268 167 E HA -0.064 4.286 4.350 0.001 0.000 0.195 167 E C 0.098 176.504 176.600 -0.325 0.000 0.995 167 E CA 0.707 57.053 56.400 -0.091 0.000 0.836 167 E CB 0.127 29.835 29.700 0.014 0.000 0.763 167 E HN 0.424 nan 8.360 nan 0.000 0.491 168 K N 0.715 120.802 120.400 -0.520 0.000 2.149 168 K HA 0.008 4.329 4.320 0.001 0.000 0.245 168 K C 0.389 176.707 176.600 -0.470 0.000 1.024 168 K CA -0.066 55.648 56.287 -0.955 0.000 0.899 168 K CB 0.512 32.633 32.500 -0.632 0.000 1.038 168 K HN -0.121 nan 8.250 nan 0.000 0.496 169 D N -0.042 120.144 120.400 -0.358 0.000 2.338 169 D HA -0.041 4.600 4.640 0.001 0.000 0.208 169 D C 1.638 177.880 176.300 -0.097 0.000 0.997 169 D CA 0.524 54.477 54.000 -0.077 0.000 0.880 169 D CB 0.133 41.030 40.800 0.161 0.000 0.980 169 D HN 0.132 nan 8.370 nan 0.000 0.509 170 V N 0.957 120.788 119.914 -0.138 0.000 2.515 170 V HA -0.074 4.047 4.120 0.001 0.000 0.250 170 V C 1.247 177.384 176.094 0.071 0.000 1.058 170 V CA 1.045 63.264 62.300 -0.135 0.000 1.064 170 V CB -0.163 31.648 31.823 -0.020 0.000 0.675 170 V HN 0.078 nan 8.190 nan 0.000 0.461 171 L N 0.804 122.037 121.223 0.016 0.000 2.334 171 L HA 0.462 4.802 4.340 0.001 0.000 0.270 171 L C -2.315 174.536 176.870 -0.032 0.000 1.018 171 L CA -2.025 52.818 54.840 0.004 0.000 0.811 171 L CB 1.534 43.555 42.059 -0.063 0.000 1.271 171 L HN -0.018 nan 8.230 nan 0.000 0.443 172 P HA 0.067 nan 4.420 nan 0.000 0.274 172 P C -1.229 176.032 177.300 -0.066 0.000 1.231 172 P CA -0.476 62.589 63.100 -0.059 0.000 0.790 172 P CB 0.593 32.237 31.700 -0.094 0.000 0.951 173 D N 2.386 122.759 120.400 -0.045 0.000 2.472 173 D HA 0.119 4.760 4.640 0.001 0.000 0.237 173 D C -1.922 174.371 176.300 -0.012 0.000 1.141 173 D CA -0.549 53.436 54.000 -0.024 0.000 0.875 173 D CB -0.727 40.072 40.800 -0.001 0.000 1.192 173 D HN 0.238 nan 8.370 nan 0.000 0.450 174 P HA 0.047 nan 4.420 nan 0.000 0.272 174 P C -0.363 177.051 177.300 0.190 0.000 1.223 174 P CA -0.256 62.895 63.100 0.084 0.000 0.784 174 P CB 0.652 32.377 31.700 0.042 0.000 0.923 175 S N 2.075 117.962 115.700 0.311 0.000 2.610 175 S HA 0.357 4.828 4.470 0.001 0.000 0.273 175 S C -0.075 174.795 174.600 0.450 0.000 1.274 175 S CA -0.680 57.713 58.200 0.323 0.000 1.023 175 S CB -0.132 63.245 63.200 0.295 0.000 0.962 175 S HN 0.236 nan 8.310 nan 0.000 0.523 176 L N 4.504 125.835 121.223 0.180 0.000 2.464 176 L HA 0.426 4.767 4.340 0.001 0.000 0.264 176 L C -1.647 175.083 176.870 -0.233 0.000 1.199 176 L CA -1.724 53.034 54.840 -0.136 0.000 0.818 176 L CB 0.571 42.541 42.059 -0.150 0.000 1.102 176 L HN 0.612 nan 8.230 nan 0.000 0.473 177 P HA 0.349 nan 4.420 nan 0.000 0.281 177 P C -2.714 174.411 177.300 -0.291 0.000 1.264 177 P CA -1.608 61.121 63.100 -0.618 0.000 0.824 177 P CB 0.616 31.559 31.700 -1.263 0.000 1.092 178 P HA 0.217 nan 4.420 nan 0.000 0.276 178 P C -0.358 176.886 177.300 -0.092 0.000 1.261 178 P CA -0.536 62.542 63.100 -0.036 0.000 0.800 178 P CB 0.532 32.275 31.700 0.071 0.000 1.066 179 L N 0.680 121.866 121.223 -0.062 0.000 2.455 179 L HA 0.408 4.748 4.340 0.001 0.000 0.272 179 L C -0.173 176.673 176.870 -0.039 0.000 1.174 179 L CA 0.352 55.152 54.840 -0.067 0.000 0.869 179 L CB -0.509 41.523 42.059 -0.045 0.000 1.130 179 L HN 0.569 nan 8.230 nan 0.000 0.474 180 A N 3.738 126.529 122.820 -0.047 0.000 2.454 180 A HA 0.450 4.770 4.320 0.001 0.000 0.302 180 A C 0.401 177.977 177.584 -0.014 0.000 1.079 180 A CA -0.579 51.449 52.037 -0.016 0.000 0.731 180 A CB 0.785 19.780 19.000 -0.008 0.000 1.299 180 A HN 0.780 nan 8.150 nan 0.000 0.413 181 D N -0.470 119.929 120.400 -0.001 0.000 2.264 181 D HA 0.051 4.691 4.640 0.001 0.000 0.208 181 D C -0.148 176.150 176.300 -0.004 0.000 0.966 181 D CA 1.500 55.498 54.000 -0.004 0.000 0.864 181 D CB 0.209 41.009 40.800 0.000 0.000 0.933 181 D HN 0.300 nan 8.370 nan 0.000 0.499 182 L N -0.075 121.149 121.223 0.003 0.000 2.592 182 L HA 0.271 4.611 4.340 0.001 0.000 0.258 182 L C -1.786 175.097 176.870 0.022 0.000 0.926 182 L CA -0.676 54.168 54.840 0.006 0.000 0.885 182 L CB 2.290 44.351 42.059 0.003 0.000 1.380 182 L HN -0.359 nan 8.230 nan 0.000 0.415 183 V N 5.168 125.098 119.914 0.026 0.000 2.378 183 V HA 0.481 4.601 4.120 0.001 0.000 0.288 183 V C -0.533 175.611 176.094 0.084 0.000 1.016 183 V CA -0.537 61.801 62.300 0.064 0.000 0.840 183 V CB 1.533 33.385 31.823 0.048 0.000 0.994 183 V HN 0.682 nan 8.190 nan 0.000 0.431 184 L N 5.719 127.012 121.223 0.116 0.000 2.261 184 L HA 0.817 5.158 4.340 0.001 0.000 0.289 184 L C 0.244 177.228 176.870 0.191 0.000 1.059 184 L CA 0.305 55.196 54.840 0.085 0.000 0.816 184 L CB 0.470 42.522 42.059 -0.011 0.000 1.191 184 L HN 0.776 nan 8.230 nan 0.000 0.431 185 A N 4.081 126.985 122.820 0.139 0.000 2.413 185 A HA 0.738 5.058 4.320 0.001 0.000 0.307 185 A C -0.758 176.884 177.584 0.097 0.000 1.087 185 A CA -0.710 51.407 52.037 0.133 0.000 0.750 185 A CB 1.042 20.141 19.000 0.164 0.000 1.296 185 A HN 0.763 nan 8.150 nan 0.000 0.423 186 E N 0.109 120.334 120.200 0.042 0.000 2.349 186 E HA 0.550 4.901 4.350 0.001 0.000 0.262 186 E C 0.428 177.050 176.600 0.037 0.000 1.088 186 E CA -0.076 56.359 56.400 0.057 0.000 0.899 186 E CB 0.994 30.646 29.700 -0.080 0.000 1.044 186 E HN 0.728 nan 8.360 nan 0.000 0.420 187 G N 1.141 109.975 108.800 0.057 0.000 4.773 187 G HA2 0.040 4.001 3.960 0.001 0.000 0.269 187 G HA3 0.040 4.001 3.960 0.001 0.000 0.269 187 G C 0.567 175.453 174.900 -0.023 0.000 0.992 187 G CA -0.003 45.110 45.100 0.023 0.000 0.775 187 G HN 0.502 nan 8.290 nan 0.000 0.471 188 T N 0.389 114.911 114.554 -0.052 0.000 2.624 188 T HA -0.263 4.088 4.350 0.001 0.000 0.266 188 T C 1.075 175.551 174.700 -0.374 0.000 1.050 188 T CA 1.464 63.418 62.100 -0.242 0.000 1.163 188 T CB -0.260 68.321 68.868 -0.478 0.000 0.861 188 T HN 0.369 nan 8.240 nan 0.000 0.443 189 Y N 0.900 121.130 120.300 -0.117 0.000 2.833 189 Y HA 0.491 5.042 4.550 0.001 0.000 0.339 189 Y C 1.766 177.617 175.900 -0.082 0.000 1.032 189 Y CA -0.962 57.079 58.100 -0.098 0.000 1.450 189 Y CB -0.066 38.321 38.460 -0.120 0.000 1.296 189 Y HN 0.209 nan 8.280 nan 0.000 0.535 190 G N 0.058 108.865 108.800 0.011 0.000 2.498 190 G HA2 -0.251 3.710 3.960 0.001 0.000 0.219 190 G HA3 -0.251 3.710 3.960 0.001 0.000 0.219 190 G C 1.315 176.223 174.900 0.013 0.000 1.119 190 G CA 1.236 46.344 45.100 0.014 0.000 0.766 190 G HN 0.517 nan 8.290 nan 0.000 0.552 191 D N -0.124 120.282 120.400 0.010 0.000 2.346 191 D HA 0.087 4.727 4.640 0.001 0.000 0.206 191 D C 1.048 177.364 176.300 0.028 0.000 1.001 191 D CA 0.044 54.053 54.000 0.015 0.000 0.871 191 D CB 0.198 41.002 40.800 0.007 0.000 0.943 191 D HN 0.492 nan 8.370 nan 0.000 0.518 192 R N -1.438 119.085 120.500 0.039 0.000 2.709 192 R HA 0.531 4.871 4.340 0.001 0.000 0.270 192 R C -3.142 173.117 176.300 -0.068 0.000 1.038 192 R CA -1.400 54.709 56.100 0.015 0.000 0.872 192 R CB 0.016 30.342 30.300 0.044 0.000 1.259 192 R HN -0.220 nan 8.270 nan 0.000 0.473 193 P HA 0.303 nan 4.420 nan 0.000 0.281 193 P C -0.845 176.328 177.300 -0.211 0.000 1.264 193 P CA -0.401 62.591 63.100 -0.180 0.000 0.824 193 P CB 0.804 32.468 31.700 -0.061 0.000 1.092 194 H N 0.066 119.115 119.070 -0.035 0.000 2.509 194 H HA 0.264 4.820 4.556 0.001 0.000 0.359 194 H C 0.708 176.033 175.328 -0.004 0.000 1.253 194 H CA -0.234 55.788 56.048 -0.042 0.000 1.373 194 H CB 0.772 30.478 29.762 -0.093 0.000 1.555 194 H HN 0.431 nan 8.280 nan 0.000 0.586 195 R N 1.398 121.988 120.500 0.150 0.000 2.643 195 R HA 0.133 4.473 4.340 0.001 0.000 0.270 195 R C -2.428 173.913 176.300 0.069 0.000 1.061 195 R CA -1.183 54.965 56.100 0.080 0.000 1.107 195 R CB -0.065 30.270 30.300 0.058 0.000 0.999 195 R HN 0.292 nan 8.270 nan 0.000 0.460 196 P HA -0.109 nan 4.420 nan 0.000 0.265 196 P C -0.658 176.660 177.300 0.029 0.000 1.187 196 P CA 0.364 63.497 63.100 0.055 0.000 0.766 196 P CB 0.253 31.977 31.700 0.040 0.000 0.820 197 Y N 4.289 124.546 120.300 -0.072 0.000 2.145 197 Y HA -0.252 4.299 4.550 0.001 0.000 0.286 197 Y C 2.277 178.105 175.900 -0.120 0.000 1.145 197 Y CA 1.533 59.549 58.100 -0.140 0.000 1.148 197 Y CB -0.066 38.331 38.460 -0.105 0.000 0.981 197 Y HN 0.226 nan 8.280 nan 0.000 0.507 198 R N 0.441 120.946 120.500 0.009 0.000 2.115 198 R HA -0.263 4.078 4.340 0.001 0.000 0.239 198 R C 2.252 178.461 176.300 -0.152 0.000 1.133 198 R CA 2.342 58.409 56.100 -0.056 0.000 0.935 198 R CB -0.819 29.503 30.300 0.037 0.000 0.853 198 R HN 0.662 nan 8.270 nan 0.000 0.433 199 E N 0.085 120.225 120.200 -0.100 0.000 2.265 199 E HA -0.121 4.230 4.350 0.001 0.000 0.196 199 E C 1.461 177.975 176.600 -0.143 0.000 0.996 199 E CA 1.465 57.811 56.400 -0.090 0.000 0.832 199 E CB -0.258 29.418 29.700 -0.040 0.000 0.756 199 E HN 0.199 nan 8.360 nan 0.000 0.491 200 T N 1.164 115.564 114.554 -0.257 0.000 2.737 200 T HA -0.098 4.252 4.350 0.001 0.000 0.265 200 T C 2.054 176.548 174.700 -0.344 0.000 1.038 200 T CA 1.396 63.290 62.100 -0.342 0.000 1.144 200 T CB -0.183 68.319 68.868 -0.611 0.000 0.866 200 T HN 0.056 nan 8.240 nan 0.000 0.434 201 V N 1.354 120.973 119.914 -0.492 0.000 2.343 201 V HA -0.169 3.952 4.120 0.001 0.000 0.247 201 V C 2.640 178.679 176.094 -0.092 0.000 1.051 201 V CA 1.580 63.719 62.300 -0.268 0.000 1.036 201 V CB -0.585 31.024 31.823 -0.357 0.000 0.654 201 V HN 0.356 nan 8.190 nan 0.000 0.451 202 R N -0.240 120.181 120.500 -0.131 0.000 2.096 202 R HA -0.253 4.087 4.340 0.001 0.000 0.240 202 R C 2.453 178.727 176.300 -0.043 0.000 1.139 202 R CA 2.196 58.244 56.100 -0.086 0.000 0.952 202 R CB -0.328 29.933 30.300 -0.066 0.000 0.854 202 R HN 0.655 nan 8.270 nan 0.000 0.436 203 E N -0.154 120.037 120.200 -0.015 0.000 2.072 203 E HA -0.207 4.144 4.350 0.001 0.000 0.191 203 E C 1.764 178.388 176.600 0.041 0.000 0.985 203 E CA 0.980 57.386 56.400 0.011 0.000 0.801 203 E CB -0.137 29.585 29.700 0.035 0.000 0.750 203 E HN 0.296 nan 8.360 nan 0.000 0.452 204 F N 1.176 121.097 119.950 -0.049 0.000 2.046 204 F HA -0.235 4.292 4.527 0.001 0.000 0.297 204 F C 1.969 177.727 175.800 -0.070 0.000 1.123 204 F CA 1.507 59.503 58.000 -0.007 0.000 1.199 204 F CB -0.093 38.996 39.000 0.149 0.000 0.972 204 F HN 0.003 nan 8.300 nan 0.000 0.474 205 L N 0.102 121.276 121.223 -0.083 0.000 2.187 205 L HA -0.221 4.120 4.340 0.001 0.000 0.213 205 L C 2.221 178.962 176.870 -0.215 0.000 1.100 205 L CA 1.482 56.189 54.840 -0.223 0.000 0.765 205 L CB -0.718 41.242 42.059 -0.166 0.000 0.904 205 L HN 0.287 nan 8.230 nan 0.000 0.437 206 E N 0.122 120.230 120.200 -0.153 0.000 2.152 206 E HA -0.135 4.216 4.350 0.001 0.000 0.192 206 E C 2.272 178.768 176.600 -0.172 0.000 0.983 206 E CA 0.863 57.185 56.400 -0.130 0.000 0.818 206 E CB 0.046 29.698 29.700 -0.080 0.000 0.758 206 E HN 0.528 nan 8.360 nan 0.000 0.467 207 I N 0.864 121.287 120.570 -0.245 0.000 2.353 207 I HA -0.223 3.948 4.170 0.001 0.000 0.248 207 I C 2.237 178.171 176.117 -0.305 0.000 1.119 207 I CA 0.769 61.880 61.300 -0.315 0.000 1.417 207 I CB -0.087 37.630 38.000 -0.472 0.000 1.078 207 I HN 0.098 nan 8.210 nan 0.000 0.421 208 L N 0.409 121.396 121.223 -0.392 0.000 2.005 208 L HA -0.198 4.142 4.340 0.001 0.000 0.207 208 L C 2.634 179.369 176.870 -0.225 0.000 1.072 208 L CA 1.481 56.108 54.840 -0.355 0.000 0.744 208 L CB -0.561 41.209 42.059 -0.483 0.000 0.895 208 L HN 0.265 nan 8.230 nan 0.000 0.433 209 E N 0.598 120.677 120.200 -0.200 0.000 2.085 209 E HA -0.309 4.041 4.350 0.001 0.000 0.194 209 E C 2.073 178.609 176.600 -0.107 0.000 0.994 209 E CA 1.579 57.897 56.400 -0.138 0.000 0.801 209 E CB 0.158 29.787 29.700 -0.118 0.000 0.743 209 E HN 0.186 nan 8.360 nan 0.000 0.453 210 K N 0.316 120.650 120.400 -0.109 0.000 1.965 210 K HA -0.174 4.146 4.320 0.001 0.000 0.218 210 K C 2.274 178.834 176.600 -0.066 0.000 1.048 210 K CA 2.790 59.032 56.287 -0.076 0.000 0.960 210 K CB -1.076 31.381 32.500 -0.071 0.000 0.732 210 K HN 0.253 nan 8.250 nan 0.000 0.444 211 T N -0.337 114.170 114.554 -0.077 0.000 2.720 211 T HA -0.142 4.208 4.350 0.001 0.000 0.268 211 T C 2.055 176.721 174.700 -0.057 0.000 1.037 211 T CA 1.706 63.771 62.100 -0.057 0.000 1.144 211 T CB -0.568 68.264 68.868 -0.060 0.000 0.864 211 T HN 0.243 nan 8.240 nan 0.000 0.444 212 L N 0.854 122.029 121.223 -0.079 0.000 2.083 212 L HA -0.062 4.279 4.340 0.001 0.000 0.209 212 L C 3.175 180.014 176.870 -0.052 0.000 1.083 212 L CA 1.454 56.253 54.840 -0.068 0.000 0.752 212 L CB -0.687 41.318 42.059 -0.091 0.000 0.899 212 L HN 0.334 nan 8.230 nan 0.000 0.433 213 S N -0.441 115.226 115.700 -0.055 0.000 2.428 213 S HA -0.171 4.300 4.470 0.001 0.000 0.230 213 S C 1.598 176.180 174.600 -0.030 0.000 1.014 213 S CA 0.984 59.159 58.200 -0.042 0.000 0.957 213 S CB -0.144 63.030 63.200 -0.043 0.000 0.784 213 S HN 0.584 nan 8.310 nan 0.000 0.499 214 Q N 0.318 120.101 119.800 -0.028 0.000 2.247 214 Q HA 0.389 4.730 4.340 0.001 0.000 0.205 214 Q C 0.954 176.945 176.000 -0.015 0.000 0.896 214 Q CA 0.419 56.211 55.803 -0.019 0.000 0.950 214 Q CB -0.149 28.580 28.738 -0.015 0.000 1.054 214 Q HN 0.327 nan 8.270 nan 0.000 0.482 215 G N 0.048 108.838 108.800 -0.018 0.000 2.166 215 G HA2 -0.296 3.664 3.960 0.001 0.000 0.260 215 G HA3 -0.296 3.664 3.960 0.001 0.000 0.260 215 G C 0.380 175.276 174.900 -0.007 0.000 0.986 215 G CA -0.032 45.061 45.100 -0.011 0.000 0.683 215 G HN 0.728 nan 8.290 nan 0.000 0.527 216 G N -0.842 107.950 108.800 -0.013 0.000 2.557 216 G HA2 0.588 4.548 3.960 0.001 0.000 0.292 216 G HA3 0.588 4.548 3.960 0.001 0.000 0.292 216 G C -0.085 174.809 174.900 -0.011 0.000 1.237 216 G CA -0.589 44.506 45.100 -0.008 0.000 0.978 216 G HN 0.411 nan 8.290 nan 0.000 0.498 217 K N -0.621 119.775 120.400 -0.006 0.000 2.221 217 K HA 0.475 4.795 4.320 0.001 0.000 0.258 217 K C -1.071 175.514 176.600 -0.026 0.000 0.944 217 K CA -0.625 55.657 56.287 -0.009 0.000 0.823 217 K CB 2.586 35.088 32.500 0.004 0.000 1.113 217 K HN 0.142 nan 8.250 nan 0.000 0.431 218 V N 4.685 124.573 119.914 -0.043 0.000 2.333 218 V HA 0.176 4.297 4.120 0.001 0.000 0.274 218 V C -0.655 175.402 176.094 -0.060 0.000 1.028 218 V CA -0.804 61.459 62.300 -0.062 0.000 0.851 218 V CB 0.698 32.460 31.823 -0.102 0.000 1.000 218 V HN 0.492 nan 8.190 nan 0.000 0.456 219 L N 7.013 128.196 121.223 -0.066 0.000 2.282 219 L HA 0.582 4.923 4.340 0.001 0.000 0.288 219 L C -0.163 176.640 176.870 -0.112 0.000 1.033 219 L CA -0.143 54.641 54.840 -0.093 0.000 0.807 219 L CB 1.200 43.212 42.059 -0.079 0.000 1.209 219 L HN 0.473 nan 8.230 nan 0.000 0.423 220 I N 5.903 126.409 120.570 -0.106 0.000 2.476 220 I HA 0.310 4.480 4.170 0.001 0.000 0.281 220 I C -2.332 173.718 176.117 -0.112 0.000 1.040 220 I CA -1.649 59.590 61.300 -0.102 0.000 1.094 220 I CB 2.151 40.130 38.000 -0.035 0.000 1.219 220 I HN 0.374 nan 8.210 nan 0.000 0.450 221 P HA 0.216 nan 4.420 nan 0.000 0.280 221 P C -0.552 176.652 177.300 -0.161 0.000 1.244 221 P CA 0.026 63.060 63.100 -0.111 0.000 0.784 221 P CB 1.299 32.960 31.700 -0.065 0.000 0.913 222 T N -0.329 114.110 114.554 -0.191 0.000 2.900 222 T HA 0.588 4.939 4.350 0.001 0.000 0.303 222 T C -0.393 174.159 174.700 -0.248 0.000 1.142 222 T CA -0.711 61.247 62.100 -0.236 0.000 1.007 222 T CB 0.510 69.323 68.868 -0.091 0.000 1.156 222 T HN 0.035 nan 8.240 nan 0.000 0.490 223 F N 1.111 121.104 119.950 0.071 0.000 2.418 223 F HA 0.545 5.073 4.527 0.001 0.000 0.341 223 F C 1.827 177.664 175.800 0.062 0.000 1.120 223 F CA -0.502 57.543 58.000 0.075 0.000 1.232 223 F CB 0.740 39.791 39.000 0.085 0.000 1.175 223 F HN 0.872 nan 8.300 nan 0.000 0.569 224 A N 2.004 124.965 122.820 0.236 0.000 2.016 224 A HA 0.007 4.328 4.320 0.001 0.000 0.217 224 A C 1.955 179.607 177.584 0.112 0.000 1.162 224 A CA 0.945 53.059 52.037 0.129 0.000 0.662 224 A CB -0.685 18.374 19.000 0.098 0.000 0.812 224 A HN 0.615 nan 8.150 nan 0.000 0.450 225 V N -0.621 119.407 119.914 0.190 0.000 2.453 225 V HA -0.107 4.013 4.120 0.001 0.000 0.247 225 V C 2.254 178.419 176.094 0.118 0.000 1.048 225 V CA 2.198 64.590 62.300 0.153 0.000 1.049 225 V CB -0.117 31.843 31.823 0.228 0.000 0.672 225 V HN 0.700 nan 8.190 nan 0.000 0.457 226 E N -1.198 119.099 120.200 0.162 0.000 2.652 226 E HA 0.026 4.376 4.350 0.001 0.000 0.197 226 E C 2.062 178.751 176.600 0.149 0.000 0.936 226 E CA -0.022 56.463 56.400 0.143 0.000 1.638 226 E CB 0.326 30.059 29.700 0.054 0.000 1.884 226 E HN 0.281 nan 8.360 nan 0.000 1.005 227 R N 1.479 122.094 120.500 0.192 0.000 2.075 227 R HA 0.104 4.445 4.340 0.001 0.000 0.232 227 R C 2.105 178.455 176.300 0.083 0.000 1.126 227 R CA 2.029 58.234 56.100 0.175 0.000 0.963 227 R CB -0.660 29.821 30.300 0.302 0.000 0.858 227 R HN 0.139 nan 8.270 nan 0.000 0.435 228 A N 0.093 122.953 122.820 0.067 0.000 1.883 228 A HA -0.212 4.108 4.320 0.001 0.000 0.217 228 A C 2.038 179.635 177.584 0.020 0.000 1.186 228 A CA 1.726 53.771 52.037 0.014 0.000 0.624 228 A CB -0.548 18.452 19.000 0.001 0.000 0.822 228 A HN 0.419 nan 8.150 nan 0.000 0.444 229 Q N -0.502 119.294 119.800 -0.007 0.000 2.167 229 Q HA -0.110 4.231 4.340 0.001 0.000 0.202 229 Q C 1.888 178.049 176.000 0.268 0.000 0.970 229 Q CA 1.555 57.360 55.803 0.003 0.000 0.855 229 Q CB -0.274 28.248 28.738 -0.361 0.000 0.911 229 Q HN 0.877 nan 8.270 nan 0.000 0.438 230 E N 0.077 120.420 120.200 0.239 0.000 2.106 230 E HA -0.159 4.192 4.350 0.001 0.000 0.192 230 E C 1.466 178.226 176.600 0.266 0.000 0.984 230 E CA 0.721 57.313 56.400 0.321 0.000 0.806 230 E CB 0.092 29.941 29.700 0.248 0.000 0.750 230 E HN 0.232 nan 8.360 nan 0.000 0.458 231 I N 1.276 121.894 120.570 0.081 0.000 2.315 231 I HA -0.244 3.926 4.170 0.001 0.000 0.248 231 I C 2.378 178.581 176.117 0.143 0.000 1.117 231 I CA 1.031 62.316 61.300 -0.025 0.000 1.404 231 I CB -0.973 36.942 38.000 -0.142 0.000 1.071 231 I HN 0.303 nan 8.210 nan 0.000 0.419 232 L N -0.649 120.680 121.223 0.177 0.000 2.046 232 L HA -0.277 4.063 4.340 0.001 0.000 0.208 232 L C 2.726 179.737 176.870 0.235 0.000 1.077 232 L CA 1.499 56.454 54.840 0.191 0.000 0.747 232 L CB -0.932 41.239 42.059 0.187 0.000 0.896 232 L HN 0.170 nan 8.230 nan 0.000 0.432 233 Y N 0.517 120.930 120.300 0.188 0.000 2.165 233 Y HA -0.255 4.296 4.550 0.001 0.000 0.286 233 Y C 2.414 178.385 175.900 0.117 0.000 1.155 233 Y CA 1.728 59.848 58.100 0.033 0.000 1.164 233 Y CB -0.292 38.183 38.460 0.026 0.000 0.978 233 Y HN -0.158 nan 8.280 nan 0.000 0.513 234 V N 0.347 120.432 119.914 0.285 0.000 2.343 234 V HA -0.323 3.798 4.120 0.001 0.000 0.247 234 V C 2.468 178.704 176.094 0.237 0.000 1.051 234 V CA 1.967 64.454 62.300 0.311 0.000 1.036 234 V CB -0.778 31.286 31.823 0.401 0.000 0.654 234 V HN 0.440 nan 8.190 nan 0.000 0.451 235 L N -1.236 120.106 121.223 0.198 0.000 2.017 235 L HA -0.228 4.112 4.340 0.001 0.000 0.208 235 L C 2.498 179.371 176.870 0.005 0.000 1.073 235 L CA 2.216 57.126 54.840 0.117 0.000 0.745 235 L CB -0.707 41.413 42.059 0.101 0.000 0.894 235 L HN 0.417 nan 8.230 nan 0.000 0.432 236 Y N 1.363 121.571 120.300 -0.153 0.000 2.145 236 Y HA -0.297 4.254 4.550 0.001 0.000 0.286 236 Y C 2.843 178.534 175.900 -0.347 0.000 1.145 236 Y CA 2.172 60.115 58.100 -0.261 0.000 1.148 236 Y CB -0.346 37.900 38.460 -0.355 0.000 0.981 236 Y HN 0.261 nan 8.280 nan 0.000 0.507 237 T N -2.970 111.368 114.554 -0.360 0.000 3.118 237 T HA -0.067 4.283 4.350 0.001 0.000 0.260 237 T C 0.714 175.048 174.700 -0.611 0.000 1.139 237 T CA 1.226 63.005 62.100 -0.534 0.000 1.085 237 T CB -0.319 68.144 68.868 -0.674 0.000 0.934 237 T HN 0.527 nan 8.240 nan 0.000 0.518 238 H N -0.730 118.235 119.070 -0.175 0.000 2.885 238 H HA 0.396 4.953 4.556 0.001 0.000 0.254 238 H C 1.845 176.883 175.328 -0.483 0.000 1.185 238 H CA -0.018 55.860 56.048 -0.284 0.000 1.029 238 H CB 0.480 30.150 29.762 -0.153 0.000 1.743 238 H HN 0.476 nan 8.280 nan 0.000 0.632 239 G N 0.548 109.176 108.800 -0.286 0.000 2.744 239 G HA2 -0.196 3.765 3.960 0.001 0.000 0.211 239 G HA3 -0.196 3.765 3.960 0.001 0.000 0.211 239 G C 1.357 176.108 174.900 -0.249 0.000 1.143 239 G CA 0.357 45.306 45.100 -0.252 0.000 0.788 239 G HN 0.515 nan 8.290 nan 0.000 0.534 240 H N 0.769 119.765 119.070 -0.123 0.000 2.518 240 H HA -0.047 4.509 4.556 0.001 0.000 0.292 240 H C 2.186 177.476 175.328 -0.063 0.000 1.068 240 H CA 1.471 57.458 56.048 -0.101 0.000 1.275 240 H CB -0.176 29.527 29.762 -0.098 0.000 1.375 240 H HN 0.542 nan 8.280 nan 0.000 0.563 241 R N 0.094 120.409 120.500 -0.308 0.000 2.435 241 R HA 0.305 4.646 4.340 0.001 0.000 0.221 241 R C 0.027 176.243 176.300 -0.141 0.000 0.885 241 R CA -0.318 55.706 56.100 -0.126 0.000 1.018 241 R CB 0.157 30.401 30.300 -0.093 0.000 1.259 241 R HN 0.126 nan 8.270 nan 0.000 0.597 242 L N 4.333 125.442 121.223 -0.190 0.000 2.456 242 L HA 0.251 4.591 4.340 0.001 0.000 0.272 242 L C -1.734 175.068 176.870 -0.112 0.000 1.189 242 L CA -1.906 52.844 54.840 -0.151 0.000 0.846 242 L CB 0.391 42.354 42.059 -0.161 0.000 1.111 242 L HN 0.063 nan 8.230 nan 0.000 0.475 243 P HA 0.082 nan 4.420 nan 0.000 0.271 243 P C -0.747 176.508 177.300 -0.074 0.000 1.216 243 P CA -0.338 62.718 63.100 -0.074 0.000 0.771 243 P CB 0.477 32.137 31.700 -0.067 0.000 0.864 244 R N 1.625 122.087 120.500 -0.063 0.000 2.583 244 R HA 0.377 4.717 4.340 0.001 0.000 0.274 244 R C 0.221 176.485 176.300 -0.060 0.000 0.998 244 R CA 0.565 56.628 56.100 -0.063 0.000 1.081 244 R CB -0.106 30.164 30.300 -0.050 0.000 0.940 244 R HN 0.680 nan 8.270 nan 0.000 0.413 245 A N 4.203 126.980 122.820 -0.071 0.000 2.585 245 A HA 0.363 4.684 4.320 0.001 0.000 0.299 245 A C -2.677 174.840 177.584 -0.111 0.000 1.047 245 A CA -1.339 50.657 52.037 -0.068 0.000 0.723 245 A CB 1.329 20.295 19.000 -0.058 0.000 1.275 245 A HN 0.518 nan 8.150 nan 0.000 0.408 246 P HA 0.516 nan 4.420 nan 0.000 0.275 246 P C -0.803 176.265 177.300 -0.386 0.000 1.228 246 P CA 0.077 62.975 63.100 -0.337 0.000 0.786 246 P CB 0.727 32.141 31.700 -0.476 0.000 0.927 247 I N 3.064 123.382 120.570 -0.420 0.000 2.382 247 I HA 0.238 4.409 4.170 0.001 0.000 0.285 247 I C -0.414 175.512 176.117 -0.319 0.000 1.007 247 I CA -0.836 60.312 61.300 -0.253 0.000 1.142 247 I CB 0.682 38.606 38.000 -0.126 0.000 1.289 247 I HN 0.267 nan 8.210 nan 0.000 0.453 248 Y N 6.355 126.631 120.300 -0.040 0.000 2.335 248 Y HA 0.345 4.896 4.550 0.001 0.000 0.339 248 Y C -0.024 175.847 175.900 -0.047 0.000 0.987 248 Y CA -0.833 57.242 58.100 -0.040 0.000 1.140 248 Y CB 1.366 39.797 38.460 -0.048 0.000 1.173 248 Y HN 0.400 nan 8.280 nan 0.000 0.486 249 L N 4.669 125.954 121.223 0.104 0.000 2.352 249 L HA 0.293 4.634 4.340 0.001 0.000 0.272 249 L C -0.106 176.802 176.870 0.063 0.000 1.109 249 L CA -0.217 54.653 54.840 0.051 0.000 0.952 249 L CB -0.282 41.787 42.059 0.018 0.000 1.314 249 L HN 0.528 nan 8.230 nan 0.000 0.427 250 D N 2.256 122.695 120.400 0.066 0.000 2.671 250 D HA 0.155 4.796 4.640 0.001 0.000 0.228 250 D C -0.577 175.760 176.300 0.061 0.000 1.102 250 D CA 0.465 54.511 54.000 0.077 0.000 1.044 250 D CB -0.042 40.830 40.800 0.120 0.000 1.113 250 D HN 0.390 nan 8.370 nan 0.000 0.480 251 S N 1.840 117.560 115.700 0.033 0.000 2.461 251 S HA 0.313 4.783 4.470 0.001 0.000 0.245 251 S C -2.316 172.285 174.600 0.001 0.000 1.039 251 S CA -0.975 57.239 58.200 0.024 0.000 1.077 251 S CB 1.414 64.631 63.200 0.027 0.000 1.171 251 S HN -0.085 nan 8.310 nan 0.000 0.433 252 P HA -0.149 nan 4.420 nan 0.000 0.214 252 P C 1.752 179.044 177.300 -0.014 0.000 1.163 252 P CA 1.185 64.267 63.100 -0.030 0.000 0.889 252 P CB 0.004 31.680 31.700 -0.040 0.000 0.790 253 M N 0.059 119.662 119.600 0.005 0.000 2.088 253 M HA -0.218 4.262 4.480 0.001 0.000 0.256 253 M C 1.960 178.258 176.300 -0.002 0.000 1.071 253 M CA 2.441 57.749 55.300 0.015 0.000 1.097 253 M CB -1.304 31.321 32.600 0.042 0.000 1.315 253 M HN -0.111 nan 8.290 nan 0.000 0.406 254 A N -0.576 122.241 122.820 -0.005 0.000 1.933 254 A HA 0.038 4.359 4.320 0.001 0.000 0.218 254 A C 2.369 179.908 177.584 -0.075 0.000 1.175 254 A CA 1.754 53.768 52.037 -0.038 0.000 0.628 254 A CB -1.818 17.168 19.000 -0.024 0.000 0.814 254 A HN 0.677 nan 8.150 nan 0.000 0.444 255 G N -0.515 108.255 108.800 -0.049 0.000 2.418 255 G HA2 -0.227 3.734 3.960 0.001 0.000 0.217 255 G HA3 -0.227 3.734 3.960 0.001 0.000 0.217 255 G C 1.749 176.615 174.900 -0.057 0.000 1.158 255 G CA 0.826 45.894 45.100 -0.052 0.000 0.771 255 G HN 0.564 nan 8.290 nan 0.000 0.545 256 R N -0.265 120.210 120.500 -0.041 0.000 2.120 256 R HA -0.002 4.339 4.340 0.001 0.000 0.234 256 R C 2.570 178.843 176.300 -0.046 0.000 1.123 256 R CA 0.988 57.070 56.100 -0.030 0.000 0.975 256 R CB -0.356 29.937 30.300 -0.012 0.000 0.866 256 R HN 0.333 nan 8.270 nan 0.000 0.446 257 V N 1.139 121.004 119.914 -0.083 0.000 2.488 257 V HA -0.180 3.941 4.120 0.001 0.000 0.246 257 V C 2.122 178.038 176.094 -0.297 0.000 1.046 257 V CA 1.081 63.303 62.300 -0.130 0.000 1.053 257 V CB -0.367 31.368 31.823 -0.146 0.000 0.679 257 V HN 0.205 nan 8.190 nan 0.000 0.458 258 L N 0.386 121.410 121.223 -0.332 0.000 2.012 258 L HA -0.139 4.202 4.340 0.001 0.000 0.210 258 L C 2.498 179.287 176.870 -0.135 0.000 1.073 258 L CA 2.183 56.797 54.840 -0.378 0.000 0.748 258 L CB -0.848 41.084 42.059 -0.212 0.000 0.891 258 L HN 0.269 nan 8.230 nan 0.000 0.431 259 S N -0.512 115.156 115.700 -0.053 0.000 2.400 259 S HA -0.159 4.311 4.470 0.001 0.000 0.232 259 S C 1.767 176.404 174.600 0.061 0.000 1.025 259 S CA 1.489 59.699 58.200 0.018 0.000 0.993 259 S CB -0.524 62.682 63.200 0.010 0.000 0.808 259 S HN 0.482 nan 8.310 nan 0.000 0.478 260 L N 0.407 121.669 121.223 0.065 0.000 2.313 260 L HA 0.126 4.467 4.340 0.001 0.000 0.214 260 L C 1.651 178.658 176.870 0.228 0.000 1.119 260 L CA 1.306 56.216 54.840 0.116 0.000 0.809 260 L CB -0.676 41.440 42.059 0.095 0.000 0.933 260 L HN 0.337 nan 8.230 nan 0.000 0.449 261 Y N 0.481 120.791 120.300 0.017 0.000 2.114 261 Y HA -0.235 4.316 4.550 0.001 0.000 0.282 261 Y C -0.119 175.831 175.900 0.083 0.000 1.165 261 Y CA 1.226 59.375 58.100 0.083 0.000 1.148 261 Y CB -1.464 36.951 38.460 -0.075 0.000 0.972 261 Y HN 0.288 nan 8.280 nan 0.000 0.504 262 P HA -0.188 nan 4.420 nan 0.000 0.217 262 P C 0.695 177.927 177.300 -0.113 0.000 1.148 262 P CA 1.791 64.862 63.100 -0.048 0.000 0.828 262 P CB -0.077 31.688 31.700 0.107 0.000 0.783 263 R N -1.410 119.091 120.500 0.002 0.000 2.313 263 R HA 0.098 4.439 4.340 0.001 0.000 0.199 263 R C 0.370 176.678 176.300 0.013 0.000 0.958 263 R CA 0.357 56.457 56.100 -0.001 0.000 1.047 263 R CB -0.172 30.141 30.300 0.021 0.000 0.955 263 R HN 0.160 nan 8.270 nan 0.000 0.481 264 L N -0.535 120.703 121.223 0.025 0.000 3.168 264 L HA 0.095 4.435 4.340 0.001 0.000 0.277 264 L C 1.374 178.306 176.870 0.104 0.000 1.245 264 L CA 0.269 55.147 54.840 0.064 0.000 1.035 264 L CB 0.583 42.559 42.059 -0.138 0.000 1.399 264 L HN -0.096 nan 8.230 nan 0.000 0.580 265 V N 1.551 121.471 119.914 0.012 0.000 2.317 265 V HA -0.334 3.787 4.120 0.001 0.000 0.251 265 V C 2.621 178.782 176.094 0.111 0.000 1.065 265 V CA 2.582 64.899 62.300 0.028 0.000 1.049 265 V CB -0.143 31.512 31.823 -0.280 0.000 0.651 265 V HN 0.751 nan 8.190 nan 0.000 0.450 266 R N -1.703 118.768 120.500 -0.048 0.000 2.285 266 R HA -0.112 4.228 4.340 0.001 0.000 0.213 266 R C 1.685 177.794 176.300 -0.319 0.000 1.068 266 R CA 1.889 57.879 56.100 -0.184 0.000 1.004 266 R CB -0.668 29.454 30.300 -0.297 0.000 0.873 266 R HN 0.603 nan 8.270 nan 0.000 0.467 267 Y N -0.327 119.846 120.300 -0.212 0.000 2.457 267 Y HA 0.287 4.837 4.550 0.001 0.000 0.263 267 Y C 0.126 175.741 175.900 -0.476 0.000 1.164 267 Y CA -0.559 57.332 58.100 -0.348 0.000 1.274 267 Y CB 0.291 38.450 38.460 -0.502 0.000 1.097 267 Y HN -0.116 nan 8.280 nan 0.000 0.523 268 F N -0.508 119.459 119.950 0.028 0.000 2.410 268 F HA 0.355 4.883 4.527 0.001 0.000 0.324 268 F C 1.119 176.917 175.800 -0.004 0.000 1.093 268 F CA -1.459 56.549 58.000 0.014 0.000 1.028 268 F CB 0.435 39.493 39.000 0.096 0.000 1.309 268 F HN -0.251 nan 8.300 nan 0.000 0.499 269 S N 0.002 115.825 115.700 0.206 0.000 2.617 269 S HA 0.070 4.541 4.470 0.001 0.000 0.255 269 S C 0.924 175.584 174.600 0.099 0.000 1.318 269 S CA -0.566 57.687 58.200 0.087 0.000 0.978 269 S CB 0.539 63.766 63.200 0.045 0.000 0.961 269 S HN 0.590 nan 8.310 nan 0.000 0.582 270 E N 0.769 121.002 120.200 0.055 0.000 2.051 270 E HA -0.176 4.174 4.350 0.001 0.000 0.192 270 E C 1.967 178.602 176.600 0.058 0.000 0.991 270 E CA 1.443 57.873 56.400 0.050 0.000 0.799 270 E CB -0.625 29.089 29.700 0.023 0.000 0.748 270 E HN 0.913 nan 8.360 nan 0.000 0.449 271 E N 0.786 121.022 120.200 0.059 0.000 2.130 271 E HA -0.165 4.186 4.350 0.001 0.000 0.196 271 E C 2.060 178.736 176.600 0.127 0.000 0.998 271 E CA 1.262 57.704 56.400 0.069 0.000 0.806 271 E CB 0.202 29.974 29.700 0.120 0.000 0.738 271 E HN 0.016 nan 8.360 nan 0.000 0.459 272 V N 1.023 121.019 119.914 0.137 0.000 2.379 272 V HA -0.233 3.888 4.120 0.001 0.000 0.245 272 V C 2.385 178.628 176.094 0.249 0.000 1.044 272 V CA 1.858 64.246 62.300 0.148 0.000 1.036 272 V CB -0.508 31.342 31.823 0.045 0.000 0.664 272 V HN 0.311 nan 8.190 nan 0.000 0.453 273 Q N 0.093 120.045 119.800 0.255 0.000 2.096 273 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 273 Q C 2.445 178.560 176.000 0.192 0.000 0.982 273 Q CA 1.769 57.739 55.803 0.277 0.000 0.850 273 Q CB -0.459 28.381 28.738 0.169 0.000 0.901 273 Q HN 0.663 nan 8.270 nan 0.000 0.422 274 A N 0.754 123.617 122.820 0.073 0.000 1.908 274 A HA -0.257 4.063 4.320 0.001 0.000 0.218 274 A C 1.567 179.124 177.584 -0.045 0.000 1.181 274 A CA 1.872 53.897 52.037 -0.021 0.000 0.627 274 A CB -0.813 18.118 19.000 -0.114 0.000 0.818 274 A HN 0.419 nan 8.150 nan 0.000 0.445 275 H N -2.149 116.915 119.070 -0.011 0.000 2.293 275 H HA -0.090 4.467 4.556 0.001 0.000 0.300 275 H C 1.759 177.011 175.328 -0.126 0.000 1.082 275 H CA 2.103 58.078 56.048 -0.122 0.000 1.308 275 H CB -0.277 29.310 29.762 -0.292 0.000 1.375 275 H HN 0.514 nan 8.280 nan 0.000 0.495 276 F N -0.245 119.769 119.950 0.106 0.000 2.250 276 F HA -0.166 4.361 4.527 0.001 0.000 0.301 276 F C 2.185 178.017 175.800 0.055 0.000 1.077 276 F CA 0.625 58.664 58.000 0.065 0.000 1.348 276 F CB -0.327 38.717 39.000 0.072 0.000 1.040 276 F HN 0.137 nan 8.300 nan 0.000 0.509 277 L N -0.142 121.208 121.223 0.212 0.000 2.156 277 L HA -0.120 4.220 4.340 0.001 0.000 0.208 277 L C 2.146 179.067 176.870 0.085 0.000 1.095 277 L CA 1.550 56.465 54.840 0.125 0.000 0.770 277 L CB -0.693 41.415 42.059 0.081 0.000 0.914 277 L HN 0.070 nan 8.230 nan 0.000 0.439 278 Q N -0.199 119.642 119.800 0.069 0.000 2.515 278 Q HA 0.113 4.453 4.340 0.001 0.000 0.212 278 Q C 1.487 177.524 176.000 0.062 0.000 0.970 278 Q CA 0.813 56.647 55.803 0.051 0.000 0.941 278 Q CB -0.195 28.571 28.738 0.047 0.000 0.998 278 Q HN 0.613 nan 8.270 nan 0.000 0.518 279 G N 1.113 109.965 108.800 0.085 0.000 2.157 279 G HA2 -0.277 3.683 3.960 0.001 0.000 0.248 279 G HA3 -0.277 3.683 3.960 0.001 0.000 0.248 279 G C -0.093 174.850 174.900 0.072 0.000 0.979 279 G CA 0.305 45.458 45.100 0.088 0.000 0.650 279 G HN 0.335 nan 8.290 nan 0.000 0.529 280 K N 0.053 120.471 120.400 0.030 0.000 2.156 280 K HA 0.561 4.882 4.320 0.001 0.000 0.250 280 K C -0.345 176.077 176.600 -0.297 0.000 0.955 280 K CA -1.004 55.245 56.287 -0.063 0.000 0.855 280 K CB 1.084 33.571 32.500 -0.022 0.000 1.101 280 K HN 0.061 nan 8.250 nan 0.000 0.434 281 N N 3.002 121.493 118.700 -0.348 0.000 2.546 281 N HA 0.157 4.897 4.740 0.001 0.000 0.238 281 N C -2.034 172.935 175.510 -0.901 0.000 0.984 281 N CA -2.244 50.489 53.050 -0.528 0.000 0.935 281 N CB 1.014 39.473 38.487 -0.048 0.000 1.122 281 N HN 0.328 nan 8.380 nan 0.000 0.510 282 P HA -0.004 nan 4.420 nan 0.000 0.239 282 P C 0.126 176.660 177.300 -1.276 0.000 1.184 282 P CA 0.506 62.492 63.100 -1.856 0.000 0.760 282 P CB -0.137 30.707 31.700 -1.426 0.000 0.884 283 F N 0.005 119.672 119.950 -0.473 0.000 2.641 283 F HA 0.287 4.814 4.527 0.001 0.000 0.302 283 F C 1.296 177.023 175.800 -0.121 0.000 1.098 283 F CA -0.113 57.796 58.000 -0.152 0.000 1.318 283 F CB 0.210 39.203 39.000 -0.012 0.000 1.035 283 F HN -0.274 nan 8.300 nan 0.000 0.551 284 R N 1.700 122.154 120.500 -0.077 0.000 2.564 284 R HA 0.245 4.585 4.340 0.001 0.000 0.282 284 R C -2.636 173.745 176.300 0.136 0.000 1.573 284 R CA -1.578 54.541 56.100 0.031 0.000 1.588 284 R CB 0.614 30.925 30.300 0.018 0.000 1.154 284 R HN -0.078 nan 8.270 nan 0.000 0.606 285 P HA 0.013 nan 4.420 nan 0.000 0.269 285 P C -0.188 177.133 177.300 0.035 0.000 1.215 285 P CA -0.165 63.019 63.100 0.140 0.000 0.780 285 P CB 0.816 32.558 31.700 0.069 0.000 0.898 286 A N 1.636 124.444 122.820 -0.020 0.000 2.565 286 A HA 0.368 4.689 4.320 0.001 0.000 0.237 286 A C 1.524 179.068 177.584 -0.067 0.000 1.053 286 A CA 0.835 52.844 52.037 -0.045 0.000 0.755 286 A CB -1.493 17.463 19.000 -0.072 0.000 0.980 286 A HN 0.948 nan 8.150 nan 0.000 0.506 287 G N 0.604 109.359 108.800 -0.074 0.000 2.176 287 G HA2 -0.123 3.837 3.960 0.001 0.000 0.253 287 G HA3 -0.123 3.837 3.960 0.001 0.000 0.253 287 G C 0.183 174.985 174.900 -0.163 0.000 0.979 287 G CA 0.281 45.309 45.100 -0.120 0.000 0.641 287 G HN 1.688 nan 8.290 nan 0.000 0.530 288 L N 0.675 121.836 121.223 -0.104 0.000 2.514 288 L HA 0.689 5.030 4.340 0.001 0.000 0.280 288 L C 0.092 176.893 176.870 -0.115 0.000 1.223 288 L CA 0.208 54.987 54.840 -0.102 0.000 0.864 288 L CB 1.004 43.042 42.059 -0.033 0.000 1.118 288 L HN 0.268 nan 8.230 nan 0.000 0.494 289 E N 2.519 122.645 120.200 -0.124 0.000 2.321 289 E HA 0.498 4.849 4.350 0.001 0.000 0.278 289 E C -1.721 174.894 176.600 0.025 0.000 0.902 289 E CA -0.431 55.934 56.400 -0.059 0.000 0.758 289 E CB 1.901 31.528 29.700 -0.121 0.000 1.213 289 E HN 0.335 nan 8.360 nan 0.000 0.426 290 V N 4.119 124.055 119.914 0.037 0.000 2.328 290 V HA 0.364 4.485 4.120 0.001 0.000 0.278 290 V C -0.351 175.770 176.094 0.045 0.000 1.021 290 V CA -0.857 61.465 62.300 0.036 0.000 0.838 290 V CB 1.499 33.325 31.823 0.004 0.000 0.999 290 V HN 0.536 nan 8.190 nan 0.000 0.447 291 V N 5.485 125.438 119.914 0.065 0.000 2.432 291 V HA 0.262 4.382 4.120 0.001 0.000 0.271 291 V C 1.087 177.156 176.094 -0.042 0.000 1.046 291 V CA -0.184 62.139 62.300 0.038 0.000 0.945 291 V CB 1.168 33.027 31.823 0.060 0.000 0.992 291 V HN 0.887 nan 8.190 nan 0.000 0.471 292 E N 2.748 122.871 120.200 -0.128 0.000 2.140 292 E HA 0.073 4.423 4.350 0.001 0.000 0.191 292 E C 0.206 176.505 176.600 -0.502 0.000 0.973 292 E CA 0.849 57.038 56.400 -0.352 0.000 0.829 292 E CB 0.308 29.694 29.700 -0.523 0.000 0.781 292 E HN 0.847 nan 8.360 nan 0.000 0.466 293 H N -1.258 117.815 119.070 0.005 0.000 2.737 293 H HA 0.270 4.827 4.556 0.001 0.000 0.358 293 H C 1.031 176.341 175.328 -0.030 0.000 1.187 293 H CA -0.342 55.700 56.048 -0.011 0.000 1.221 293 H CB 1.403 31.157 29.762 -0.013 0.000 1.799 293 H HN -0.245 nan 8.280 nan 0.000 0.568 294 T N 0.262 114.876 114.554 0.100 0.000 2.788 294 T HA -0.154 4.197 4.350 0.001 0.000 0.268 294 T C 1.391 176.065 174.700 -0.043 0.000 1.044 294 T CA 1.658 63.748 62.100 -0.017 0.000 1.139 294 T CB -0.150 68.687 68.868 -0.051 0.000 0.867 294 T HN 0.531 nan 8.240 nan 0.000 0.454 295 E N 1.625 121.820 120.200 -0.009 0.000 2.070 295 E HA -0.075 4.275 4.350 0.001 0.000 0.197 295 E C 2.420 178.998 176.600 -0.037 0.000 1.004 295 E CA 1.404 57.785 56.400 -0.032 0.000 0.805 295 E CB -0.558 29.130 29.700 -0.019 0.000 0.744 295 E HN 0.518 nan 8.360 nan 0.000 0.451 296 A N 0.197 123.014 122.820 -0.005 0.000 1.898 296 A HA -0.169 4.151 4.320 0.001 0.000 0.216 296 A C 2.297 179.847 177.584 -0.056 0.000 1.181 296 A CA 1.691 53.716 52.037 -0.021 0.000 0.620 296 A CB -0.813 18.197 19.000 0.017 0.000 0.819 296 A HN 0.240 nan 8.150 nan 0.000 0.442 297 S N -0.404 115.270 115.700 -0.044 0.000 2.353 297 S HA -0.213 4.257 4.470 0.001 0.000 0.222 297 S C 2.172 176.699 174.600 -0.121 0.000 1.035 297 S CA 1.780 59.951 58.200 -0.047 0.000 1.025 297 S CB -0.289 62.880 63.200 -0.051 0.000 0.902 297 S HN 0.475 nan 8.310 nan 0.000 0.440 298 K N 1.479 121.780 120.400 -0.166 0.000 2.009 298 K HA -0.025 4.296 4.320 0.001 0.000 0.210 298 K C 2.402 178.906 176.600 -0.160 0.000 1.049 298 K CA 1.352 57.520 56.287 -0.198 0.000 0.929 298 K CB -1.289 31.101 32.500 -0.185 0.000 0.714 298 K HN 0.468 nan 8.250 nan 0.000 0.440 299 A N 1.708 124.455 122.820 -0.121 0.000 1.958 299 A HA -0.188 4.132 4.320 0.001 0.000 0.221 299 A C 2.317 179.832 177.584 -0.116 0.000 1.178 299 A CA 1.554 53.527 52.037 -0.108 0.000 0.642 299 A CB -0.819 18.133 19.000 -0.081 0.000 0.816 299 A HN 0.254 nan 8.150 nan 0.000 0.453 300 L N -0.343 120.805 121.223 -0.125 0.000 2.191 300 L HA -0.204 4.137 4.340 0.001 0.000 0.212 300 L C 2.091 178.935 176.870 -0.044 0.000 1.103 300 L CA 0.971 55.733 54.840 -0.131 0.000 0.769 300 L CB -0.636 41.340 42.059 -0.137 0.000 0.908 300 L HN 0.411 nan 8.230 nan 0.000 0.438 301 N N 0.464 119.127 118.700 -0.061 0.000 2.188 301 N HA -0.131 4.609 4.740 0.001 0.000 0.184 301 N C 1.881 177.336 175.510 -0.090 0.000 1.018 301 N CA 1.186 54.199 53.050 -0.061 0.000 0.858 301 N CB -0.145 38.193 38.487 -0.249 0.000 0.989 301 N HN 0.410 nan 8.380 nan 0.000 0.426 302 R N 0.692 121.116 120.500 -0.126 0.000 2.127 302 R HA 0.262 4.603 4.340 0.001 0.000 0.217 302 R C 0.870 177.141 176.300 -0.049 0.000 1.074 302 R CA 0.263 56.307 56.100 -0.093 0.000 0.991 302 R CB -0.090 30.148 30.300 -0.103 0.000 0.895 302 R HN 0.050 nan 8.270 nan 0.000 0.450 303 A N 3.636 126.425 122.820 -0.052 0.000 2.520 303 A HA 0.160 4.481 4.320 0.001 0.000 0.235 303 A C -2.003 175.573 177.584 -0.012 0.000 1.065 303 A CA -0.886 51.131 52.037 -0.032 0.000 0.764 303 A CB -0.196 18.776 19.000 -0.047 0.000 1.002 303 A HN 0.048 nan 8.150 nan 0.000 0.502 304 P HA 0.349 nan 4.420 nan 0.000 0.282 304 P C 0.456 177.768 177.300 0.019 0.000 1.259 304 P CA -0.003 63.103 63.100 0.009 0.000 0.826 304 P CB 1.071 32.775 31.700 0.007 0.000 1.064 305 G N 1.482 110.293 108.800 0.018 0.000 2.631 305 G HA2 0.329 4.290 3.960 0.001 0.000 0.271 305 G HA3 0.329 4.290 3.960 0.001 0.000 0.271 305 G C -2.175 172.736 174.900 0.019 0.000 1.302 305 G CA -0.932 44.182 45.100 0.023 0.000 1.002 305 G HN 0.456 nan 8.290 nan 0.000 0.519 306 P HA 0.385 nan 4.420 nan 0.000 0.277 306 P C -0.457 176.862 177.300 0.032 0.000 1.240 306 P CA -0.011 63.093 63.100 0.007 0.000 0.798 306 P CB 1.410 33.101 31.700 -0.014 0.000 0.979 307 M N -0.295 119.323 119.600 0.030 0.000 2.853 307 M HA 0.489 4.969 4.480 0.001 0.000 0.273 307 M C -2.148 174.172 176.300 0.034 0.000 1.128 307 M CA -1.003 54.342 55.300 0.075 0.000 0.814 307 M CB 1.542 34.269 32.600 0.212 0.000 1.667 307 M HN -0.076 nan 8.290 nan 0.000 0.519 308 V N 1.940 121.880 119.914 0.042 0.000 2.487 308 V HA 0.733 4.854 4.120 0.001 0.000 0.298 308 V C -0.770 175.354 176.094 0.050 0.000 1.028 308 V CA -0.654 61.649 62.300 0.004 0.000 0.860 308 V CB 1.769 33.573 31.823 -0.031 0.000 0.991 308 V HN 0.688 nan 8.190 nan 0.000 0.427 309 V N 6.227 126.131 119.914 -0.017 0.000 2.448 309 V HA 0.543 4.663 4.120 0.001 0.000 0.295 309 V C -0.731 175.304 176.094 -0.098 0.000 1.025 309 V CA -0.575 61.675 62.300 -0.084 0.000 0.859 309 V CB 1.771 33.404 31.823 -0.317 0.000 0.988 309 V HN 0.604 nan 8.190 nan 0.000 0.431 310 L N 4.639 125.825 121.223 -0.062 0.000 2.319 310 L HA 0.917 5.258 4.340 0.001 0.000 0.281 310 L C 0.112 176.959 176.870 -0.039 0.000 1.005 310 L CA 0.104 54.916 54.840 -0.047 0.000 0.828 310 L CB 1.528 43.578 42.059 -0.015 0.000 1.227 310 L HN 0.867 nan 8.230 nan 0.000 0.415 311 A N 1.909 124.709 122.820 -0.034 0.000 2.606 311 A HA 0.925 5.245 4.320 0.001 0.000 0.293 311 A C -0.480 177.111 177.584 0.012 0.000 1.082 311 A CA -0.074 51.976 52.037 0.021 0.000 0.685 311 A CB 1.332 20.393 19.000 0.102 0.000 1.284 311 A HN 0.692 nan 8.150 nan 0.000 0.408 312 G N -0.491 108.331 108.800 0.038 0.000 2.667 312 G HA2 0.551 4.512 3.960 0.001 0.000 0.310 312 G HA3 0.551 4.512 3.960 0.001 0.000 0.310 312 G C 0.097 175.033 174.900 0.060 0.000 1.259 312 G CA 0.181 45.296 45.100 0.025 0.000 1.019 312 G HN 1.267 nan 8.290 nan 0.000 0.496 313 S N -1.322 114.415 115.700 0.062 0.000 2.560 313 S HA 0.306 4.777 4.470 0.001 0.000 0.284 313 S C 1.824 176.409 174.600 -0.025 0.000 1.327 313 S CA 0.361 58.594 58.200 0.056 0.000 1.055 313 S CB 0.681 63.934 63.200 0.090 0.000 0.868 313 S HN 0.998 nan 8.310 nan 0.000 0.506 314 G N 3.520 112.237 108.800 -0.139 0.000 2.498 314 G HA2 -0.099 3.862 3.960 0.001 0.000 0.219 314 G HA3 -0.099 3.862 3.960 0.001 0.000 0.219 314 G C 0.844 175.547 174.900 -0.329 0.000 1.119 314 G CA 0.540 45.286 45.100 -0.589 0.000 0.766 314 G HN 0.723 nan 8.290 nan 0.000 0.552 315 M N 0.161 119.753 119.600 -0.013 0.000 2.589 315 M HA 0.371 4.852 4.480 0.001 0.000 0.344 315 M C 0.293 176.636 176.300 0.071 0.000 1.168 315 M CA -0.192 55.154 55.300 0.076 0.000 0.956 315 M CB 0.559 33.271 32.600 0.188 0.000 1.370 315 M HN 0.025 nan 8.290 nan 0.000 0.518 316 L N -0.504 120.758 121.223 0.065 0.000 3.839 316 L HA -0.315 4.025 4.340 0.001 0.000 0.416 316 L C 1.439 178.342 176.870 0.056 0.000 1.195 316 L CA 0.315 55.195 54.840 0.066 0.000 0.946 316 L CB -2.104 40.008 42.059 0.089 0.000 1.891 316 L HN 0.520 nan 8.230 nan 0.000 0.963 317 A N -0.646 122.215 122.820 0.068 0.000 2.119 317 A HA 0.495 4.816 4.320 0.001 0.000 0.216 317 A C 1.341 178.958 177.584 0.055 0.000 1.152 317 A CA 1.576 53.652 52.037 0.065 0.000 0.708 317 A CB 0.047 19.099 19.000 0.087 0.000 0.805 317 A HN 0.985 nan 8.150 nan 0.000 0.460 318 G N -3.828 105.006 108.800 0.057 0.000 2.336 318 G HA2 0.564 4.525 3.960 0.001 0.000 0.286 318 G HA3 0.564 4.525 3.960 0.001 0.000 0.286 318 G C 0.182 175.124 174.900 0.071 0.000 1.269 318 G CA 0.244 45.376 45.100 0.053 0.000 0.873 318 G HN 2.006 nan 8.290 nan 0.000 0.494 319 G N -1.216 107.637 108.800 0.089 0.000 2.757 319 G HA2 0.018 3.979 3.960 0.001 0.000 0.638 319 G HA3 0.018 3.979 3.960 0.001 0.000 0.638 319 G C 0.736 175.732 174.900 0.160 0.000 1.344 319 G CA 0.605 45.772 45.100 0.111 0.000 0.855 319 G HN 1.084 nan 8.290 nan 0.000 0.537 320 R N -0.582 120.010 120.500 0.153 0.000 2.127 320 R HA -0.074 4.266 4.340 0.001 0.000 0.238 320 R C 2.700 179.119 176.300 0.199 0.000 1.134 320 R CA 1.628 57.824 56.100 0.161 0.000 0.975 320 R CB -0.283 30.089 30.300 0.120 0.000 0.865 320 R HN 0.544 nan 8.270 nan 0.000 0.447 321 I N 1.412 122.116 120.570 0.223 0.000 2.248 321 I HA -0.275 3.895 4.170 0.001 0.000 0.248 321 I C 1.809 178.010 176.117 0.141 0.000 1.107 321 I CA 1.522 62.963 61.300 0.235 0.000 1.373 321 I CB -0.090 37.975 38.000 0.109 0.000 1.055 321 I HN 0.124 nan 8.210 nan 0.000 0.418 322 L N -0.541 120.720 121.223 0.062 0.000 2.042 322 L HA -0.260 4.080 4.340 0.001 0.000 0.210 322 L C 2.612 179.417 176.870 -0.109 0.000 1.076 322 L CA 1.454 56.266 54.840 -0.048 0.000 0.749 322 L CB -1.254 40.731 42.059 -0.124 0.000 0.893 322 L HN 0.380 nan 8.230 nan 0.000 0.432 323 H N -1.006 118.033 119.070 -0.051 0.000 2.387 323 H HA -0.128 4.429 4.556 0.001 0.000 0.299 323 H C 2.287 177.593 175.328 -0.037 0.000 1.090 323 H CA 1.363 57.374 56.048 -0.063 0.000 1.332 323 H CB -0.067 29.607 29.762 -0.147 0.000 1.386 323 H HN 0.474 nan 8.280 nan 0.000 0.516 324 H N -0.093 119.076 119.070 0.165 0.000 2.395 324 H HA -0.074 4.483 4.556 0.001 0.000 0.299 324 H C 2.285 177.645 175.328 0.053 0.000 1.070 324 H CA 0.463 56.571 56.048 0.099 0.000 1.356 324 H CB 0.106 29.893 29.762 0.042 0.000 1.401 324 H HN 0.168 nan 8.280 nan 0.000 0.524 325 L N 1.222 122.513 121.223 0.112 0.000 2.027 325 L HA -0.102 4.238 4.340 0.001 0.000 0.206 325 L C 2.571 179.422 176.870 -0.033 0.000 1.074 325 L CA 1.367 56.223 54.840 0.027 0.000 0.745 325 L CB -0.916 41.143 42.059 0.000 0.000 0.898 325 L HN 0.121 nan 8.230 nan 0.000 0.433 326 K N -1.065 119.270 120.400 -0.108 0.000 2.089 326 K HA -0.218 4.103 4.320 0.001 0.000 0.210 326 K C 1.735 178.115 176.600 -0.367 0.000 1.048 326 K CA 1.642 57.762 56.287 -0.278 0.000 0.926 326 K CB -0.044 32.202 32.500 -0.424 0.000 0.714 326 K HN 0.474 nan 8.250 nan 0.000 0.448 327 H N -2.634 116.439 119.070 0.005 0.000 2.586 327 H HA 0.145 4.701 4.556 0.001 0.000 0.273 327 H C 1.408 176.748 175.328 0.019 0.000 0.997 327 H CA 0.815 56.870 56.048 0.012 0.000 1.177 327 H CB 1.159 30.929 29.762 0.013 0.000 1.471 327 H HN 0.402 nan 8.280 nan 0.000 0.538 328 G N -0.025 108.833 108.800 0.097 0.000 2.944 328 G HA2 0.014 3.975 3.960 0.001 0.000 0.223 328 G HA3 0.014 3.975 3.960 0.001 0.000 0.223 328 G C 1.334 176.251 174.900 0.029 0.000 1.071 328 G CA -0.108 45.034 45.100 0.069 0.000 0.806 328 G HN 0.059 nan 8.290 nan 0.000 0.538 329 L N 2.240 123.468 121.223 0.009 0.000 2.156 329 L HA 0.054 4.394 4.340 0.001 0.000 0.208 329 L C 2.880 179.749 176.870 -0.002 0.000 1.095 329 L CA 1.865 56.703 54.840 -0.004 0.000 0.770 329 L CB -0.483 41.567 42.059 -0.015 0.000 0.914 329 L HN 0.328 nan 8.230 nan 0.000 0.439 330 S N -2.074 113.625 115.700 -0.002 0.000 2.555 330 S HA -0.053 4.418 4.470 0.001 0.000 0.230 330 S C 0.773 175.378 174.600 0.008 0.000 0.978 330 S CA 0.004 58.204 58.200 0.000 0.000 0.934 330 S CB -0.360 62.839 63.200 -0.003 0.000 0.766 330 S HN 0.382 nan 8.310 nan 0.000 0.533 331 D N 2.428 122.836 120.400 0.013 0.000 2.349 331 D HA 0.304 4.945 4.640 0.001 0.000 0.232 331 D C -1.697 174.610 176.300 0.011 0.000 1.071 331 D CA -2.498 51.511 54.000 0.014 0.000 0.832 331 D CB 1.977 42.788 40.800 0.020 0.000 1.086 331 D HN -0.010 nan 8.370 nan 0.000 0.504 332 P HA -0.108 nan 4.420 nan 0.000 0.226 332 P C 0.927 178.235 177.300 0.013 0.000 1.146 332 P CA 0.570 63.675 63.100 0.010 0.000 0.773 332 P CB 0.463 32.167 31.700 0.008 0.000 0.772 333 R N -1.183 119.323 120.500 0.011 0.000 2.193 333 R HA 0.073 4.414 4.340 0.001 0.000 0.213 333 R C 0.858 177.164 176.300 0.010 0.000 1.055 333 R CA 0.238 56.343 56.100 0.009 0.000 0.995 333 R CB -0.250 30.054 30.300 0.006 0.000 0.893 333 R HN 0.291 nan 8.270 nan 0.000 0.459 334 N N 0.689 119.397 118.700 0.013 0.000 2.379 334 N HA 0.309 5.049 4.740 0.001 0.000 0.260 334 N C -0.686 174.838 175.510 0.023 0.000 1.254 334 N CA 0.110 53.166 53.050 0.011 0.000 0.958 334 N CB 1.056 39.549 38.487 0.011 0.000 1.208 334 N HN 0.061 nan 8.380 nan 0.000 0.532 335 A N 0.497 123.329 122.820 0.020 0.000 2.437 335 A HA 0.463 4.784 4.320 0.001 0.000 0.293 335 A C -1.420 176.180 177.584 0.026 0.000 1.038 335 A CA -0.576 51.500 52.037 0.065 0.000 0.708 335 A CB 0.864 19.911 19.000 0.078 0.000 1.251 335 A HN 0.468 nan 8.150 nan 0.000 0.409 336 L N 3.112 124.347 121.223 0.020 0.000 2.275 336 L HA 0.738 5.078 4.340 0.001 0.000 0.288 336 L C -0.998 175.831 176.870 -0.069 0.000 1.046 336 L CA -0.147 54.620 54.840 -0.121 0.000 0.805 336 L CB 1.531 43.454 42.059 -0.227 0.000 1.193 336 L HN 0.422 nan 8.230 nan 0.000 0.426 337 V N 6.305 126.143 119.914 -0.126 0.000 2.380 337 V HA 0.353 4.473 4.120 0.001 0.000 0.286 337 V C -0.482 175.579 176.094 -0.055 0.000 1.015 337 V CA -0.461 61.856 62.300 0.027 0.000 0.834 337 V CB 0.924 32.836 31.823 0.148 0.000 1.009 337 V HN 0.495 nan 8.190 nan 0.000 0.428 338 F N 4.232 124.262 119.950 0.133 0.000 2.438 338 F HA 0.350 4.877 4.527 0.001 0.000 0.356 338 F C 1.026 176.895 175.800 0.114 0.000 1.099 338 F CA -0.205 57.847 58.000 0.087 0.000 1.185 338 F CB 1.606 40.657 39.000 0.084 0.000 1.115 338 F HN 0.402 nan 8.300 nan 0.000 0.526 339 V N 0.441 120.495 119.914 0.233 0.000 3.253 339 V HA 0.656 4.776 4.120 0.001 0.000 0.320 339 V C 0.405 176.651 176.094 0.253 0.000 1.442 339 V CA 0.185 62.581 62.300 0.160 0.000 1.097 339 V CB -0.010 31.658 31.823 -0.258 0.000 1.008 339 V HN 0.745 nan 8.190 nan 0.000 0.463 340 G N -0.796 108.181 108.800 0.294 0.000 2.672 340 G HA2 0.499 4.459 3.960 0.001 0.000 0.292 340 G HA3 0.499 4.459 3.960 0.001 0.000 0.292 340 G C -1.776 173.355 174.900 0.385 0.000 1.375 340 G CA -1.048 44.298 45.100 0.409 0.000 0.890 340 G HN 0.255 nan 8.290 nan 0.000 0.476 341 Y N 1.215 121.737 120.300 0.371 0.000 2.526 341 Y HA 0.392 4.943 4.550 0.001 0.000 0.330 341 Y C 0.025 176.025 175.900 0.167 0.000 1.156 341 Y CA -0.055 58.200 58.100 0.259 0.000 1.419 341 Y CB 0.852 39.488 38.460 0.294 0.000 1.250 341 Y HN 0.237 nan 8.280 nan 0.000 0.540 342 Q N 9.053 128.401 119.800 -0.755 0.000 2.325 342 Q HA 0.326 4.667 4.340 0.001 0.000 0.262 342 Q C -2.368 172.978 176.000 -1.089 0.000 0.968 342 Q CA -2.214 53.161 55.803 -0.714 0.000 0.877 342 Q CB 1.345 29.696 28.738 -0.646 0.000 1.253 342 Q HN 0.594 nan 8.270 nan 0.000 0.448 343 P HA -0.055 nan 4.420 nan 0.000 0.271 343 P C -0.395 176.788 177.300 -0.195 0.000 1.233 343 P CA -0.155 62.763 63.100 -0.304 0.000 0.789 343 P CB 0.684 32.401 31.700 0.029 0.000 0.951 344 Q N 0.037 119.810 119.800 -0.044 0.000 2.299 344 Q HA 0.334 4.675 4.340 0.001 0.000 0.246 344 Q C 0.846 176.832 176.000 -0.024 0.000 0.935 344 Q CA -0.064 55.717 55.803 -0.037 0.000 0.887 344 Q CB -0.157 28.587 28.738 0.010 0.000 1.223 344 Q HN 0.873 nan 8.270 nan 0.000 0.439 345 G N 0.663 109.446 108.800 -0.029 0.000 2.176 345 G HA2 -0.168 3.793 3.960 0.001 0.000 0.252 345 G HA3 -0.168 3.793 3.960 0.001 0.000 0.252 345 G C 0.201 175.090 174.900 -0.018 0.000 1.024 345 G CA 0.111 45.201 45.100 -0.017 0.000 0.755 345 G HN 1.033 nan 8.290 nan 0.000 0.507 346 G N -1.960 106.819 108.800 -0.035 0.000 2.714 346 G HA2 0.688 4.649 3.960 0.001 0.000 0.292 346 G HA3 0.688 4.649 3.960 0.001 0.000 0.292 346 G C 0.867 175.751 174.900 -0.026 0.000 1.308 346 G CA -0.066 45.018 45.100 -0.027 0.000 0.964 346 G HN 0.847 nan 8.290 nan 0.000 0.484 347 L N 0.894 122.114 121.223 -0.005 0.000 2.043 347 L HA 0.038 4.379 4.340 0.001 0.000 0.212 347 L C 2.641 179.528 176.870 0.028 0.000 1.075 347 L CA 3.132 57.980 54.840 0.014 0.000 0.752 347 L CB -0.779 41.298 42.059 0.030 0.000 0.891 347 L HN 0.634 nan 8.230 nan 0.000 0.432 348 G N -1.211 107.590 108.800 0.002 0.000 2.433 348 G HA2 -0.268 3.693 3.960 0.001 0.000 0.216 348 G HA3 -0.268 3.693 3.960 0.001 0.000 0.216 348 G C 1.616 176.422 174.900 -0.157 0.000 1.186 348 G CA 0.969 46.034 45.100 -0.059 0.000 0.779 348 G HN 0.656 nan 8.290 nan 0.000 0.543 349 A N 0.775 123.492 122.820 -0.171 0.000 1.883 349 A HA -0.110 4.211 4.320 0.001 0.000 0.217 349 A C 2.167 179.713 177.584 -0.063 0.000 1.186 349 A CA 2.193 54.147 52.037 -0.138 0.000 0.624 349 A CB -0.658 18.274 19.000 -0.114 0.000 0.822 349 A HN 0.509 nan 8.150 nan 0.000 0.444 350 E N -0.242 119.937 120.200 -0.035 0.000 2.070 350 E HA -0.228 4.123 4.350 0.001 0.000 0.197 350 E C 1.903 178.509 176.600 0.010 0.000 1.004 350 E CA 1.687 58.082 56.400 -0.009 0.000 0.805 350 E CB -0.276 29.422 29.700 -0.003 0.000 0.744 350 E HN 0.666 nan 8.360 nan 0.000 0.451 351 I N 0.742 121.335 120.570 0.039 0.000 2.226 351 I HA -0.290 3.881 4.170 0.001 0.000 0.245 351 I C 2.409 178.571 176.117 0.075 0.000 1.100 351 I CA 1.030 62.377 61.300 0.078 0.000 1.374 351 I CB -0.213 37.888 38.000 0.169 0.000 1.057 351 I HN 0.233 nan 8.210 nan 0.000 0.413 352 I N 0.818 121.423 120.570 0.058 0.000 2.361 352 I HA -0.270 3.901 4.170 0.001 0.000 0.251 352 I C 2.655 178.781 176.117 0.015 0.000 1.133 352 I CA 1.141 62.464 61.300 0.037 0.000 1.413 352 I CB -0.495 37.480 38.000 -0.043 0.000 1.073 352 I HN 0.180 nan 8.210 nan 0.000 0.424 353 A N 0.402 123.223 122.820 0.003 0.000 2.125 353 A HA -0.179 4.142 4.320 0.001 0.000 0.219 353 A C 1.525 179.113 177.584 0.006 0.000 1.156 353 A CA 0.793 52.830 52.037 0.001 0.000 0.671 353 A CB -0.366 18.632 19.000 -0.004 0.000 0.794 353 A HN 0.477 nan 8.150 nan 0.000 0.459 354 R N -1.634 118.874 120.500 0.013 0.000 3.332 354 R HA -0.106 4.234 4.340 0.001 0.000 0.263 354 R C -2.315 173.989 176.300 0.005 0.000 1.053 354 R CA 0.725 56.831 56.100 0.010 0.000 0.705 354 R CB -2.441 27.862 30.300 0.005 0.000 1.166 354 R HN 0.518 nan 8.270 nan 0.000 0.427 355 P HA 0.163 nan 4.420 nan 0.000 0.274 355 P C -1.790 175.510 177.300 0.001 0.000 1.256 355 P CA -0.974 62.127 63.100 0.002 0.000 0.795 355 P CB 0.549 32.249 31.700 0.001 0.000 1.038 356 P HA -0.021 nan 4.420 nan 0.000 0.218 356 P C 0.329 177.627 177.300 -0.004 0.000 1.149 356 P CA 1.366 64.465 63.100 -0.002 0.000 0.817 356 P CB 0.202 31.901 31.700 -0.003 0.000 0.785 357 A N -1.336 121.481 122.820 -0.005 0.000 2.593 357 A HA 0.646 4.967 4.320 0.001 0.000 0.290 357 A C -1.357 176.221 177.584 -0.009 0.000 1.126 357 A CA -0.496 51.536 52.037 -0.009 0.000 0.695 357 A CB 1.814 20.807 19.000 -0.012 0.000 1.290 357 A HN -0.137 nan 8.150 nan 0.000 0.414 358 V N 0.107 120.012 119.914 -0.014 0.000 3.007 358 V HA 0.609 4.730 4.120 0.001 0.000 0.311 358 V C -0.290 175.789 176.094 -0.026 0.000 1.120 358 V CA -0.679 61.613 62.300 -0.014 0.000 0.980 358 V CB 2.121 33.940 31.823 -0.007 0.000 1.033 358 V HN 0.957 nan 8.190 nan 0.000 0.429 359 R N 2.771 123.256 120.500 -0.025 0.000 2.207 359 R HA 0.740 5.081 4.340 0.001 0.000 0.334 359 R C -1.297 174.977 176.300 -0.044 0.000 1.013 359 R CA -0.136 55.943 56.100 -0.034 0.000 0.858 359 R CB 0.631 30.915 30.300 -0.026 0.000 1.094 359 R HN 0.693 nan 8.270 nan 0.000 0.457 360 I N 5.792 126.322 120.570 -0.066 0.000 2.533 360 I HA 0.204 4.375 4.170 0.001 0.000 0.290 360 I C 0.022 176.071 176.117 -0.112 0.000 1.056 360 I CA -1.010 60.237 61.300 -0.088 0.000 1.057 360 I CB 1.950 39.886 38.000 -0.107 0.000 1.240 360 I HN 0.664 nan 8.210 nan 0.000 0.423 361 L N 6.636 127.791 121.223 -0.114 0.000 3.879 361 L HA -0.273 4.067 4.340 0.001 0.000 0.481 361 L C 1.167 177.992 176.870 -0.075 0.000 1.232 361 L CA 0.838 55.608 54.840 -0.117 0.000 0.736 361 L CB -1.638 40.294 42.059 -0.212 0.000 1.511 361 L HN 1.188 nan 8.230 nan 0.000 0.830 362 G N -0.280 108.488 108.800 -0.052 0.000 2.179 362 G HA2 -0.292 3.669 3.960 0.001 0.000 0.257 362 G HA3 -0.292 3.669 3.960 0.001 0.000 0.257 362 G C 0.008 174.886 174.900 -0.038 0.000 1.010 362 G CA 0.807 45.886 45.100 -0.035 0.000 0.736 362 G HN 0.604 nan 8.290 nan 0.000 0.513 363 E N -0.743 119.424 120.200 -0.055 0.000 2.292 363 E HA 0.564 4.915 4.350 0.001 0.000 0.272 363 E C -0.661 175.904 176.600 -0.058 0.000 0.881 363 E CA -0.833 55.533 56.400 -0.056 0.000 0.754 363 E CB 1.165 30.817 29.700 -0.080 0.000 1.201 363 E HN 0.145 nan 8.360 nan 0.000 0.425 364 E N 2.119 122.293 120.200 -0.043 0.000 2.180 364 E HA 0.332 4.682 4.350 0.001 0.000 0.283 364 E C -1.448 175.125 176.600 -0.045 0.000 1.061 364 E CA -0.314 56.063 56.400 -0.038 0.000 0.861 364 E CB 1.158 30.843 29.700 -0.025 0.000 1.056 364 E HN 0.215 nan 8.360 nan 0.000 0.407 365 V N 6.577 126.462 119.914 -0.049 0.000 2.409 365 V HA 0.558 4.679 4.120 0.001 0.000 0.291 365 V C -2.573 173.501 176.094 -0.033 0.000 1.020 365 V CA -2.728 59.541 62.300 -0.052 0.000 0.848 365 V CB 1.707 33.481 31.823 -0.082 0.000 0.990 365 V HN 0.643 nan 8.190 nan 0.000 0.430 366 P HA 0.099 nan 4.420 nan 0.000 0.264 366 P C -0.800 176.493 177.300 -0.012 0.000 1.193 366 P CA -0.033 63.058 63.100 -0.015 0.000 0.763 366 P CB 0.395 32.089 31.700 -0.010 0.000 0.810 367 L N 5.151 126.370 121.223 -0.008 0.000 2.315 367 L HA 0.262 4.602 4.340 0.001 0.000 0.278 367 L C 0.807 177.675 176.870 -0.003 0.000 1.088 367 L CA 0.471 55.309 54.840 -0.004 0.000 0.899 367 L CB -0.350 41.709 42.059 0.000 0.000 1.277 367 L HN 0.284 nan 8.230 nan 0.000 0.431 368 R N 3.125 123.623 120.500 -0.003 0.000 2.257 368 R HA 0.439 4.780 4.340 0.001 0.000 0.195 368 R C 0.731 177.031 176.300 -0.001 0.000 0.921 368 R CA 0.249 56.348 56.100 -0.001 0.000 1.069 368 R CB 0.141 30.442 30.300 0.001 0.000 1.115 368 R HN 0.632 nan 8.270 nan 0.000 0.571 369 A N 2.123 124.943 122.820 0.001 0.000 2.507 369 A HA 0.161 4.482 4.320 0.001 0.000 0.235 369 A C 0.527 178.109 177.584 -0.004 0.000 1.070 369 A CA -0.053 51.986 52.037 0.005 0.000 0.768 369 A CB 0.220 19.223 19.000 0.005 0.000 1.011 369 A HN 0.366 nan 8.150 nan 0.000 0.502 370 S N 0.488 116.193 115.700 0.009 0.000 2.576 370 S HA 0.481 4.951 4.470 0.001 0.000 0.276 370 S C -0.205 174.332 174.600 -0.106 0.000 1.339 370 S CA -0.561 57.611 58.200 -0.046 0.000 1.039 370 S CB 0.855 64.086 63.200 0.052 0.000 0.902 370 S HN 0.865 nan 8.310 nan 0.000 0.516 371 V N 3.941 123.687 119.914 -0.280 0.000 2.604 371 V HA 0.512 4.633 4.120 0.001 0.000 0.305 371 V C -0.458 175.383 176.094 -0.420 0.000 1.043 371 V CA -0.644 61.541 62.300 -0.191 0.000 0.888 371 V CB 1.399 33.214 31.823 -0.014 0.000 0.995 371 V HN 0.976 nan 8.190 nan 0.000 0.429 372 H N 1.727 120.874 119.070 0.130 0.000 2.806 372 H HA 0.522 5.078 4.556 0.001 0.000 0.367 372 H C -1.024 174.474 175.328 0.283 0.000 1.136 372 H CA -0.554 55.596 56.048 0.169 0.000 1.178 372 H CB 2.560 32.402 29.762 0.133 0.000 1.718 372 H HN 0.517 nan 8.280 nan 0.000 0.540 373 T N 3.932 118.706 114.554 0.367 0.000 2.815 373 T HA 0.340 4.690 4.350 0.001 0.000 0.289 373 T C 0.289 175.163 174.700 0.289 0.000 1.000 373 T CA -0.670 61.638 62.100 0.347 0.000 0.958 373 T CB 0.467 69.468 68.868 0.222 0.000 0.944 373 T HN 0.291 nan 8.240 nan 0.000 0.442 374 L N 3.153 124.568 121.223 0.321 0.000 2.387 374 L HA 0.401 4.742 4.340 0.001 0.000 0.259 374 L C 1.649 178.669 176.870 0.250 0.000 1.050 374 L CA -0.775 54.228 54.840 0.271 0.000 0.922 374 L CB 0.798 43.076 42.059 0.365 0.000 1.280 374 L HN 0.860 nan 8.230 nan 0.000 0.449 375 G N 1.222 110.138 108.800 0.192 0.000 2.509 375 G HA2 -0.158 3.802 3.960 0.001 0.000 0.218 375 G HA3 -0.158 3.802 3.960 0.001 0.000 0.218 375 G C 1.405 176.326 174.900 0.035 0.000 1.124 375 G CA 0.759 45.967 45.100 0.181 0.000 0.776 375 G HN 0.730 nan 8.290 nan 0.000 0.547 376 G N 0.439 109.228 108.800 -0.020 0.000 2.462 376 G HA2 -0.166 3.795 3.960 0.001 0.000 0.220 376 G HA3 -0.166 3.795 3.960 0.001 0.000 0.220 376 G C 1.287 176.077 174.900 -0.183 0.000 1.121 376 G CA 0.204 45.219 45.100 -0.141 0.000 0.758 376 G HN 0.436 nan 8.290 nan 0.000 0.559 377 F N 1.254 121.221 119.950 0.028 0.000 2.802 377 F HA 0.242 4.770 4.527 0.001 0.000 0.300 377 F C 1.855 177.665 175.800 0.016 0.000 1.168 377 F CA -0.110 57.935 58.000 0.074 0.000 1.433 377 F CB 0.170 39.194 39.000 0.039 0.000 1.115 377 F HN 0.005 nan 8.300 nan 0.000 0.582 378 S N 0.373 116.060 115.700 -0.021 0.000 2.558 378 S HA 0.115 4.585 4.470 0.001 0.000 0.291 378 S C 1.283 175.843 174.600 -0.066 0.000 1.306 378 S CA 0.175 58.306 58.200 -0.115 0.000 1.056 378 S CB 0.802 63.572 63.200 -0.718 0.000 0.836 378 S HN 0.397 nan 8.310 nan 0.000 0.504 379 G N 3.749 112.595 108.800 0.077 0.000 3.523 379 G HA2 0.208 4.168 3.960 0.001 0.000 0.270 379 G HA3 0.208 4.168 3.960 0.001 0.000 0.270 379 G C 0.115 175.028 174.900 0.023 0.000 1.134 379 G CA -0.205 44.913 45.100 0.030 0.000 0.825 379 G HN 0.775 nan 8.290 nan 0.000 0.534 380 H N 0.052 119.172 119.070 0.084 0.000 2.572 380 H HA 0.531 5.087 4.556 0.001 0.000 0.359 380 H C -0.049 175.342 175.328 0.104 0.000 1.134 380 H CA -0.601 55.504 56.048 0.095 0.000 1.187 380 H CB 2.131 32.049 29.762 0.260 0.000 1.597 380 H HN 0.159 nan 8.280 nan 0.000 0.524 381 A N 2.321 125.237 122.820 0.160 0.000 2.546 381 A HA 0.334 4.655 4.320 0.001 0.000 0.243 381 A C 1.033 178.677 177.584 0.101 0.000 1.063 381 A CA 0.498 52.590 52.037 0.091 0.000 0.757 381 A CB -0.134 18.853 19.000 -0.022 0.000 0.991 381 A HN 0.759 nan 8.150 nan 0.000 0.503 382 G N 0.175 108.969 108.800 -0.011 0.000 2.651 382 G HA2 0.303 4.264 3.960 0.001 0.000 0.260 382 G HA3 0.303 4.264 3.960 0.001 0.000 0.260 382 G C 0.727 175.574 174.900 -0.088 0.000 1.216 382 G CA 0.330 45.247 45.100 -0.306 0.000 0.913 382 G HN 0.954 nan 8.290 nan 0.000 0.535 383 Q N -0.431 119.322 119.800 -0.078 0.000 2.077 383 Q HA -0.236 4.104 4.340 0.001 0.000 0.206 383 Q C 2.115 178.117 176.000 0.004 0.000 0.989 383 Q CA 2.477 58.274 55.803 -0.009 0.000 0.853 383 Q CB -0.213 28.522 28.738 -0.004 0.000 0.907 383 Q HN 0.746 nan 8.270 nan 0.000 0.418 384 D N -0.019 120.376 120.400 -0.008 0.000 2.123 384 D HA -0.240 4.401 4.640 0.001 0.000 0.196 384 D C 1.367 177.687 176.300 0.032 0.000 0.992 384 D CA 1.827 55.835 54.000 0.013 0.000 0.833 384 D CB -0.604 40.201 40.800 0.009 0.000 0.954 384 D HN 0.540 nan 8.370 nan 0.000 0.455 385 E N -0.430 119.789 120.200 0.031 0.000 2.208 385 E HA -0.057 4.293 4.350 0.001 0.000 0.193 385 E C 2.088 178.741 176.600 0.087 0.000 0.988 385 E CA 0.011 56.445 56.400 0.057 0.000 0.828 385 E CB 0.017 29.742 29.700 0.042 0.000 0.763 385 E HN 0.143 nan 8.360 nan 0.000 0.478 386 L N 0.762 122.023 121.223 0.064 0.000 2.093 386 L HA -0.123 4.218 4.340 0.001 0.000 0.208 386 L C 2.102 179.050 176.870 0.129 0.000 1.085 386 L CA 1.402 56.295 54.840 0.088 0.000 0.755 386 L CB -0.510 41.582 42.059 0.055 0.000 0.904 386 L HN 0.147 nan 8.230 nan 0.000 0.435 387 L N -1.093 120.181 121.223 0.085 0.000 2.056 387 L HA -0.205 4.136 4.340 0.001 0.000 0.207 387 L C 2.185 179.100 176.870 0.075 0.000 1.078 387 L CA 1.082 55.964 54.840 0.069 0.000 0.749 387 L CB -0.633 41.452 42.059 0.042 0.000 0.901 387 L HN 0.224 nan 8.230 nan 0.000 0.433 388 D N -0.819 119.632 120.400 0.084 0.000 2.117 388 D HA -0.238 4.402 4.640 0.001 0.000 0.197 388 D C 1.773 178.130 176.300 0.094 0.000 0.987 388 D CA 1.121 55.166 54.000 0.074 0.000 0.829 388 D CB -0.243 40.604 40.800 0.078 0.000 0.961 388 D HN 0.370 nan 8.370 nan 0.000 0.460 389 W N 0.569 121.843 121.300 -0.043 0.000 2.402 389 W HA -0.084 4.576 4.660 0.001 0.000 0.286 389 W C 1.383 177.852 176.519 -0.084 0.000 1.221 389 W CA 0.636 57.937 57.345 -0.073 0.000 1.257 389 W CB 0.088 29.494 29.460 -0.090 0.000 1.120 389 W HN -0.094 nan 8.180 nan 0.000 0.551 390 L N 0.688 121.964 121.223 0.089 0.000 2.592 390 L HA 0.084 4.425 4.340 0.001 0.000 0.227 390 L C 1.270 178.098 176.870 -0.070 0.000 1.127 390 L CA 0.656 55.483 54.840 -0.020 0.000 0.884 390 L CB -1.888 40.221 42.059 0.083 0.000 1.065 390 L HN -0.075 nan 8.230 nan 0.000 0.457 391 Q N 1.114 120.879 119.800 -0.059 0.000 2.368 391 Q HA 0.018 4.358 4.340 0.001 0.000 0.331 391 Q C 1.258 177.208 176.000 -0.082 0.000 1.086 391 Q CA 1.374 57.145 55.803 -0.054 0.000 1.031 391 Q CB 0.362 29.073 28.738 -0.044 0.000 1.125 391 Q HN 0.569 nan 8.270 nan 0.000 0.389 392 G N 3.823 112.589 108.800 -0.057 0.000 2.189 392 G HA2 -0.232 3.728 3.960 0.001 0.000 0.267 392 G HA3 -0.232 3.728 3.960 0.001 0.000 0.267 392 G C -0.203 174.658 174.900 -0.066 0.000 0.975 392 G CA 0.490 45.554 45.100 -0.059 0.000 0.644 392 G HN 0.610 nan 8.290 nan 0.000 0.537 393 E N 0.830 120.986 120.200 -0.075 0.000 2.229 393 E HA 0.242 4.593 4.350 0.001 0.000 0.283 393 E C -0.995 175.581 176.600 -0.040 0.000 1.030 393 E CA -1.419 54.938 56.400 -0.070 0.000 0.836 393 E CB 1.760 31.406 29.700 -0.090 0.000 1.068 393 E HN 0.266 nan 8.360 nan 0.000 0.401 394 P HA -0.108 nan 4.420 nan 0.000 0.217 394 P C -0.098 177.194 177.300 -0.014 0.000 1.151 394 P CA 1.063 64.151 63.100 -0.021 0.000 0.828 394 P CB 0.600 32.289 31.700 -0.019 0.000 0.788 395 R N -0.356 120.137 120.500 -0.013 0.000 2.476 395 R HA 0.585 4.926 4.340 0.001 0.000 0.305 395 R C -1.199 175.101 176.300 0.000 0.000 0.965 395 R CA -0.668 55.429 56.100 -0.006 0.000 0.867 395 R CB 2.671 32.967 30.300 -0.007 0.000 1.176 395 R HN -0.179 nan 8.270 nan 0.000 0.447 396 V N 3.460 123.378 119.914 0.007 0.000 2.540 396 V HA 0.445 4.565 4.120 0.001 0.000 0.302 396 V C -0.557 175.548 176.094 0.017 0.000 1.035 396 V CA -0.862 61.450 62.300 0.020 0.000 0.873 396 V CB 2.282 34.124 31.823 0.031 0.000 0.992 396 V HN 0.444 nan 8.190 nan 0.000 0.428 397 V N 6.099 126.024 119.914 0.019 0.000 2.350 397 V HA 0.449 4.569 4.120 0.001 0.000 0.285 397 V C -0.140 175.965 176.094 0.019 0.000 1.014 397 V CA -0.411 61.893 62.300 0.006 0.000 0.831 397 V CB 1.547 33.359 31.823 -0.019 0.000 1.000 397 V HN 0.642 nan 8.190 nan 0.000 0.433 398 L N 6.201 127.440 121.223 0.026 0.000 2.350 398 L HA 0.781 5.121 4.340 0.001 0.000 0.275 398 L C 0.052 176.954 176.870 0.052 0.000 1.099 398 L CA -0.312 54.554 54.840 0.044 0.000 0.808 398 L CB 1.518 43.601 42.059 0.040 0.000 1.149 398 L HN 0.608 nan 8.230 nan 0.000 0.442 399 V N -1.717 118.251 119.914 0.089 0.000 3.112 399 V HA 0.446 4.566 4.120 0.001 0.000 0.310 399 V C -0.147 176.072 176.094 0.208 0.000 1.364 399 V CA -0.894 61.489 62.300 0.138 0.000 1.058 399 V CB 1.456 33.379 31.823 0.167 0.000 1.079 399 V HN 0.873 nan 8.190 nan 0.000 0.463 400 H N 0.128 119.259 119.070 0.102 0.000 2.680 400 H HA -0.049 4.507 4.556 0.001 0.000 0.328 400 H C -0.136 175.178 175.328 -0.023 0.000 1.139 400 H CA 1.491 57.581 56.048 0.069 0.000 1.124 400 H CB -0.976 28.857 29.762 0.119 0.000 1.584 400 H HN 2.087 nan 8.280 nan 0.000 0.410 401 G N 1.610 110.380 108.800 -0.050 0.000 2.404 401 G HA2 0.283 4.243 3.960 0.001 0.000 0.298 401 G HA3 0.283 4.243 3.960 0.001 0.000 0.298 401 G C -1.115 173.736 174.900 -0.081 0.000 1.577 401 G CA -0.652 44.393 45.100 -0.092 0.000 0.847 401 G HN 0.244 nan 8.290 nan 0.000 0.598 402 E N 0.392 120.526 120.200 -0.109 0.000 2.413 402 E HA 0.095 4.446 4.350 0.001 0.000 0.263 402 E C 1.151 177.725 176.600 -0.043 0.000 1.015 402 E CA 0.082 56.440 56.400 -0.071 0.000 0.916 402 E CB 1.750 31.403 29.700 -0.078 0.000 0.947 402 E HN 0.668 nan 8.360 nan 0.000 0.440 403 E N 2.228 122.414 120.200 -0.023 0.000 2.108 403 E HA -0.363 3.988 4.350 0.001 0.000 0.203 403 E C 1.630 178.222 176.600 -0.013 0.000 1.022 403 E CA 1.889 58.283 56.400 -0.011 0.000 0.823 403 E CB 0.147 29.844 29.700 -0.005 0.000 0.744 403 E HN 0.480 nan 8.360 nan 0.000 0.456 404 E N 0.468 120.658 120.200 -0.017 0.000 2.072 404 E HA -0.173 4.178 4.350 0.001 0.000 0.191 404 E C 1.814 178.403 176.600 -0.019 0.000 0.985 404 E CA 1.369 57.761 56.400 -0.014 0.000 0.801 404 E CB 0.057 29.750 29.700 -0.012 0.000 0.750 404 E HN 0.081 nan 8.360 nan 0.000 0.452 405 K N -0.027 120.351 120.400 -0.037 0.000 2.057 405 K HA -0.101 4.220 4.320 0.001 0.000 0.207 405 K C 2.022 178.605 176.600 -0.028 0.000 1.049 405 K CA 0.704 56.962 56.287 -0.048 0.000 0.931 405 K CB -0.505 31.932 32.500 -0.104 0.000 0.714 405 K HN 0.197 nan 8.250 nan 0.000 0.440 406 L N 0.672 121.882 121.223 -0.022 0.000 2.093 406 L HA -0.099 4.241 4.340 0.001 0.000 0.208 406 L C 2.180 179.052 176.870 0.003 0.000 1.085 406 L CA 1.114 55.952 54.840 -0.003 0.000 0.755 406 L CB -0.779 41.282 42.059 0.004 0.000 0.904 406 L HN 0.050 nan 8.230 nan 0.000 0.435 407 L N -0.774 120.449 121.223 -0.000 0.000 2.141 407 L HA -0.038 4.302 4.340 0.001 0.000 0.209 407 L C 2.577 179.449 176.870 0.004 0.000 1.094 407 L CA 1.760 56.602 54.840 0.003 0.000 0.763 407 L CB -1.568 40.492 42.059 0.001 0.000 0.908 407 L HN 0.241 nan 8.230 nan 0.000 0.437 408 A N -1.071 121.750 122.820 0.002 0.000 1.930 408 A HA -0.169 4.152 4.320 0.001 0.000 0.217 408 A C 2.325 179.914 177.584 0.009 0.000 1.175 408 A CA 1.449 53.489 52.037 0.005 0.000 0.627 408 A CB -0.577 18.425 19.000 0.003 0.000 0.815 408 A HN 0.368 nan 8.150 nan 0.000 0.443 409 L N -0.762 120.467 121.223 0.010 0.000 2.068 409 L HA -0.039 4.302 4.340 0.001 0.000 0.204 409 L C 2.558 179.438 176.870 0.017 0.000 1.076 409 L CA 1.585 56.435 54.840 0.017 0.000 0.753 409 L CB -0.942 41.130 42.059 0.021 0.000 0.910 409 L HN 0.448 nan 8.230 nan 0.000 0.439 410 G N 0.040 108.849 108.800 0.015 0.000 2.442 410 G HA2 -0.354 3.607 3.960 0.001 0.000 0.219 410 G HA3 -0.354 3.607 3.960 0.001 0.000 0.219 410 G C 1.652 176.559 174.900 0.011 0.000 1.141 410 G CA 1.057 46.165 45.100 0.014 0.000 0.763 410 G HN 0.376 nan 8.290 nan 0.000 0.554 411 K N 0.112 120.518 120.400 0.010 0.000 2.032 411 K HA -0.019 4.302 4.320 0.001 0.000 0.209 411 K C 2.490 179.096 176.600 0.009 0.000 1.048 411 K CA 1.137 57.429 56.287 0.008 0.000 0.927 411 K CB -0.301 32.203 32.500 0.008 0.000 0.712 411 K HN 0.368 nan 8.250 nan 0.000 0.441 412 L N 0.891 122.121 121.223 0.011 0.000 2.093 412 L HA -0.154 4.187 4.340 0.001 0.000 0.208 412 L C 2.441 179.317 176.870 0.012 0.000 1.085 412 L CA 0.776 55.623 54.840 0.012 0.000 0.755 412 L CB -0.348 41.719 42.059 0.014 0.000 0.904 412 L HN 0.219 nan 8.230 nan 0.000 0.435 413 L N -0.316 120.916 121.223 0.014 0.000 2.056 413 L HA -0.169 4.172 4.340 0.001 0.000 0.207 413 L C 2.924 179.799 176.870 0.008 0.000 1.078 413 L CA 1.090 55.938 54.840 0.013 0.000 0.749 413 L CB -0.714 41.356 42.059 0.018 0.000 0.901 413 L HN 0.233 nan 8.230 nan 0.000 0.433 414 A N 0.223 123.048 122.820 0.008 0.000 1.883 414 A HA -0.188 4.132 4.320 0.001 0.000 0.217 414 A C 2.220 179.807 177.584 0.004 0.000 1.186 414 A CA 1.491 53.531 52.037 0.005 0.000 0.624 414 A CB -0.791 18.212 19.000 0.005 0.000 0.822 414 A HN 0.371 nan 8.150 nan 0.000 0.444 415 L N -1.123 120.103 121.223 0.005 0.000 2.265 415 L HA -0.118 4.223 4.340 0.001 0.000 0.215 415 L C 2.406 179.278 176.870 0.003 0.000 1.117 415 L CA 0.851 55.694 54.840 0.004 0.000 0.782 415 L CB -0.316 41.746 42.059 0.005 0.000 0.914 415 L HN 0.345 nan 8.230 nan 0.000 0.441 416 R N -0.161 120.341 120.500 0.003 0.000 2.310 416 R HA 0.100 4.441 4.340 0.001 0.000 0.202 416 R C 1.205 177.504 176.300 -0.001 0.000 0.933 416 R CA 0.627 56.727 56.100 0.001 0.000 1.054 416 R CB 0.268 30.569 30.300 0.002 0.000 0.985 416 R HN 0.433 nan 8.270 nan 0.000 0.489 417 G N 1.286 110.085 108.800 -0.001 0.000 2.141 417 G HA2 -0.285 3.676 3.960 0.001 0.000 0.242 417 G HA3 -0.285 3.676 3.960 0.001 0.000 0.242 417 G C -0.119 174.779 174.900 -0.004 0.000 0.982 417 G CA -0.205 44.894 45.100 -0.003 0.000 0.662 417 G HN 0.353 nan 8.290 nan 0.000 0.527 418 Q N 0.367 120.165 119.800 -0.003 0.000 2.241 418 Q HA 0.467 4.807 4.340 0.001 0.000 0.254 418 Q C -0.203 175.797 176.000 -0.001 0.000 0.917 418 Q CA -0.413 55.388 55.803 -0.003 0.000 0.919 418 Q CB 1.216 29.953 28.738 -0.002 0.000 1.237 418 Q HN 0.558 nan 8.270 nan 0.000 0.434 419 E N 1.575 121.773 120.200 -0.002 0.000 2.257 419 E HA 0.264 4.615 4.350 0.001 0.000 0.278 419 E C -1.007 175.594 176.600 0.002 0.000 1.049 419 E CA -0.198 56.202 56.400 -0.001 0.000 0.876 419 E CB 1.302 31.000 29.700 -0.003 0.000 1.035 419 E HN 0.161 nan 8.360 nan 0.000 0.419 420 V N 2.597 122.513 119.914 0.004 0.000 2.962 420 V HA 0.704 4.825 4.120 0.001 0.000 0.313 420 V C -1.077 175.020 176.094 0.005 0.000 1.099 420 V CA -0.307 61.997 62.300 0.007 0.000 0.971 420 V CB 2.287 34.117 31.823 0.012 0.000 1.028 420 V HN 0.837 nan 8.190 nan 0.000 0.430 421 S N 5.020 120.724 115.700 0.006 0.000 2.596 421 S HA 0.753 5.223 4.470 0.001 0.000 0.270 421 S C -1.801 172.804 174.600 0.009 0.000 1.155 421 S CA -0.802 57.401 58.200 0.005 0.000 0.827 421 S CB 1.613 64.813 63.200 -0.001 0.000 1.130 421 S HN 0.643 nan 8.310 nan 0.000 0.467 422 L N 2.273 123.503 121.223 0.010 0.000 2.272 422 L HA 0.723 5.063 4.340 0.001 0.000 0.289 422 L C 0.904 177.784 176.870 0.015 0.000 1.032 422 L CA -0.219 54.631 54.840 0.017 0.000 0.810 422 L CB 0.707 42.777 42.059 0.018 0.000 1.205 422 L HN 1.055 nan 8.230 nan 0.000 0.422 423 A N 5.205 128.035 122.820 0.016 0.000 2.555 423 A HA 0.329 4.649 4.320 0.001 0.000 0.233 423 A C 0.326 177.926 177.584 0.028 0.000 1.060 423 A CA 0.179 52.221 52.037 0.007 0.000 0.759 423 A CB 0.040 19.044 19.000 0.006 0.000 0.995 423 A HN 0.713 nan 8.150 nan 0.000 0.506 424 R N 0.538 121.046 120.500 0.012 0.000 2.534 424 R HA 0.346 4.686 4.340 0.001 0.000 0.301 424 R C -0.812 175.517 176.300 0.048 0.000 0.961 424 R CA -0.595 55.533 56.100 0.047 0.000 0.871 424 R CB 1.575 31.893 30.300 0.030 0.000 1.170 424 R HN 0.698 nan 8.270 nan 0.000 0.446 425 F N 1.892 121.828 119.950 -0.024 0.000 2.635 425 F HA 0.004 4.532 4.527 0.001 0.000 0.379 425 F C 1.475 177.214 175.800 -0.102 0.000 1.094 425 F CA 2.223 60.200 58.000 -0.037 0.000 1.300 425 F CB 0.538 39.555 39.000 0.028 0.000 1.035 425 F HN 0.913 nan 8.300 nan 0.000 0.581 426 G N 3.691 111.954 108.800 -0.895 0.000 2.196 426 G HA2 -0.344 3.616 3.960 0.001 0.000 0.268 426 G HA3 -0.344 3.616 3.960 0.001 0.000 0.268 426 G C 0.171 174.856 174.900 -0.359 0.000 0.975 426 G CA 0.450 45.130 45.100 -0.700 0.000 0.648 426 G HN 0.695 nan 8.290 nan 0.000 0.538 427 E N 1.193 121.239 120.200 -0.258 0.000 1.993 427 E HA 0.463 4.813 4.350 0.001 0.000 0.271 427 E C 1.073 177.572 176.600 -0.169 0.000 1.008 427 E CA -0.090 56.222 56.400 -0.147 0.000 0.814 427 E CB 0.605 30.263 29.700 -0.069 0.000 1.098 427 E HN 0.395 nan 8.360 nan 0.000 0.407 428 G N 1.802 110.507 108.800 -0.160 0.000 2.414 428 G HA2 0.159 4.120 3.960 0.001 0.000 0.236 428 G HA3 0.159 4.120 3.960 0.001 0.000 0.236 428 G C -0.038 174.807 174.900 -0.091 0.000 1.293 428 G CA -0.284 44.735 45.100 -0.136 0.000 0.869 428 G HN 0.311 nan 8.290 nan 0.000 0.556 429 V N 5.200 125.063 119.914 -0.086 0.000 2.409 429 V HA 0.350 4.471 4.120 0.001 0.000 0.291 429 V C -1.825 174.242 176.094 -0.046 0.000 1.020 429 V CA -1.650 60.614 62.300 -0.060 0.000 0.848 429 V CB 2.005 33.792 31.823 -0.061 0.000 0.990 429 V HN 0.734 nan 8.190 nan 0.000 0.430 430 P HA 0.194 nan 4.420 nan 0.000 0.271 430 P C -0.309 176.979 177.300 -0.020 0.000 1.220 430 P CA 0.267 63.352 63.100 -0.024 0.000 0.768 430 P CB 1.536 33.224 31.700 -0.019 0.000 0.848 431 V N 0.000 119.905 119.914 -0.016 0.000 2.409 431 V HA 0.000 4.121 4.120 0.001 0.000 0.244 431 V CA 0.000 62.294 62.300 -0.009 0.000 1.235 431 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556