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 1kmh_1_B DATA FIRST_RESID 19 DATA SEQUENCE NLGRIAQIIG PVLNVAFPPG KMPNIYNALI VKGRDTAGQP MNVTCEVQQL DATA SEQUENCE LGNNRVRAVA MSATDGLTRG MEVIDTGAPL SVPVGGPTLG RIFNVLGEPV DATA SEQUENCE DNLRPVDTRT TSPIHRSAPA FTQLDTKLSI FETGIKVVNL LAPYRRGGKI DATA SEQUENCE GLFGGAGVGK TVLIMELINN IAKAHGGVSV FGGVGERTRE GNDLYMEMKE DATA SEQUENCE SGVINEQNIA ESKVALVYGQ MNEPPGARMR VGLTALTMAE YFRDVNEQDV DATA SEQUENCE LLFIDNIFRF VQAGSEVSAL LGRMPSAVGY QPTLSTEMGS LQERITSTKE DATA SEQUENCE GSITSIQAVY VPADDLTDPA PATTFAHLDA TTVLSRGLAA KGIYPAVDPL DATA SEQUENCE DSTSTMLQPR IVGEEHYEIA QRVKETLQRY KELQDIIAIL GLDELSEEDR DATA SEQUENCE LTVARARKIE RFLSQPFFVA EVFTGSPGKY VGLAETIRGF QLILSGELDS DATA SEQUENCE LPEQAFYLVG NIDEATA 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 19 N HA 0.000 nan 4.740 nan 0.000 0.220 19 N C 0.000 175.639 175.510 0.214 0.000 1.280 19 N CA 0.000 53.147 53.050 0.162 0.000 0.885 19 N CB 0.000 38.592 38.487 0.175 0.000 1.341 20 L N 1.068 122.416 121.223 0.208 0.000 2.427 20 L HA 0.655 4.994 4.340 -0.001 0.000 0.264 20 L C 0.497 177.354 176.870 -0.021 0.000 0.989 20 L CA -0.536 54.356 54.840 0.088 0.000 0.865 20 L CB 1.509 43.593 42.059 0.041 0.000 1.209 20 L HN 0.674 nan 8.230 nan 0.000 0.430 21 G N 2.353 110.956 108.800 -0.328 0.000 2.667 21 G HA2 0.730 4.689 3.960 -0.001 0.000 0.310 21 G HA3 0.730 4.689 3.960 -0.001 0.000 0.310 21 G C -0.865 173.808 174.900 -0.377 0.000 1.259 21 G CA -0.680 44.078 45.100 -0.570 0.000 1.019 21 G HN 0.415 nan 8.290 nan 0.000 0.496 22 R N -0.274 120.047 120.500 -0.299 0.000 2.637 22 R HA 0.346 4.685 4.340 -0.001 0.000 0.291 22 R C -0.188 176.011 176.300 -0.168 0.000 0.963 22 R CA -0.913 55.075 56.100 -0.186 0.000 0.901 22 R CB 1.960 32.192 30.300 -0.114 0.000 1.160 22 R HN 0.292 nan 8.270 nan 0.000 0.457 23 I N 2.123 122.621 120.570 -0.120 0.000 2.775 23 I HA -0.110 4.059 4.170 -0.001 0.000 0.290 23 I C 1.179 177.254 176.117 -0.070 0.000 1.203 23 I CA 0.863 62.110 61.300 -0.088 0.000 1.433 23 I CB 0.878 38.843 38.000 -0.058 0.000 1.354 23 I HN 0.867 nan 8.210 nan 0.000 0.579 24 A N 6.093 128.880 122.820 -0.054 0.000 2.070 24 A HA 0.202 4.521 4.320 -0.001 0.000 0.202 24 A C 0.710 178.281 177.584 -0.022 0.000 1.277 24 A CA 0.215 52.230 52.037 -0.036 0.000 0.872 24 A CB 0.404 19.386 19.000 -0.031 0.000 0.933 24 A HN 0.763 nan 8.150 nan 0.000 0.475 25 Q N -0.691 119.098 119.800 -0.017 0.000 2.315 25 Q HA 0.580 4.919 4.340 -0.001 0.000 0.273 25 Q C -2.069 173.925 176.000 -0.010 0.000 1.053 25 Q CA -0.452 55.345 55.803 -0.010 0.000 0.817 25 Q CB 2.466 31.201 28.738 -0.004 0.000 1.326 25 Q HN 0.313 nan 8.270 nan 0.000 0.423 26 I N 3.440 124.005 120.570 -0.009 0.000 2.428 26 I HA 0.331 4.500 4.170 -0.001 0.000 0.279 26 I C -0.627 175.487 176.117 -0.005 0.000 1.040 26 I CA 0.120 61.416 61.300 -0.007 0.000 1.171 26 I CB 0.988 38.983 38.000 -0.009 0.000 1.312 26 I HN 0.487 nan 8.210 nan 0.000 0.470 27 I N 6.239 126.807 120.570 -0.003 0.000 2.557 27 I HA 0.549 4.718 4.170 -0.001 0.000 0.277 27 I C 1.013 177.128 176.117 -0.003 0.000 1.106 27 I CA -0.289 61.009 61.300 -0.003 0.000 1.180 27 I CB 0.132 38.131 38.000 -0.002 0.000 1.392 27 I HN 0.810 nan 8.210 nan 0.000 0.506 28 G N 6.754 115.552 108.800 -0.004 0.000 2.525 28 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.248 28 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.248 28 G C -2.228 172.669 174.900 -0.004 0.000 1.238 28 G CA -0.496 44.602 45.100 -0.005 0.000 0.926 28 G HN 0.436 nan 8.290 nan 0.000 0.574 29 P HA 0.374 nan 4.420 nan 0.000 0.261 29 P C -0.373 176.926 177.300 -0.002 0.000 1.650 29 P CA 0.347 63.445 63.100 -0.004 0.000 0.846 29 P CB -0.121 31.575 31.700 -0.007 0.000 1.758 30 V N 1.377 121.291 119.914 -0.000 0.000 2.577 30 V HA 0.327 4.446 4.120 -0.001 0.000 0.303 30 V C 0.052 176.150 176.094 0.006 0.000 1.042 30 V CA -0.700 61.603 62.300 0.004 0.000 0.872 30 V CB 2.651 34.477 31.823 0.004 0.000 0.998 30 V HN 0.043 nan 8.190 nan 0.000 0.423 31 L N 4.611 125.841 121.223 0.011 0.000 2.322 31 L HA 0.621 4.961 4.340 -0.001 0.000 0.281 31 L C -0.320 176.561 176.870 0.018 0.000 1.014 31 L CA -0.572 54.274 54.840 0.009 0.000 0.815 31 L CB 1.795 43.859 42.059 0.008 0.000 1.247 31 L HN 0.556 nan 8.230 nan 0.000 0.421 32 N N 2.942 121.648 118.700 0.009 0.000 2.558 32 N HA 0.322 5.061 4.740 -0.001 0.000 0.242 32 N C -0.731 174.778 175.510 -0.001 0.000 0.979 32 N CA -0.185 52.875 53.050 0.017 0.000 0.931 32 N CB 2.374 40.868 38.487 0.012 0.000 1.122 32 N HN 0.200 nan 8.380 nan 0.000 0.508 33 V N 0.981 120.901 119.914 0.011 0.000 2.617 33 V HA 0.699 4.818 4.120 -0.001 0.000 0.298 33 V C 0.292 176.355 176.094 -0.051 0.000 1.048 33 V CA -0.870 61.384 62.300 -0.077 0.000 0.964 33 V CB 1.554 33.317 31.823 -0.100 0.000 1.004 33 V HN 0.651 nan 8.190 nan 0.000 0.466 34 A N 3.954 126.671 122.820 -0.171 0.000 2.340 34 A HA 0.827 5.146 4.320 -0.001 0.000 0.297 34 A C -0.905 176.590 177.584 -0.148 0.000 1.195 34 A CA -0.352 51.649 52.037 -0.061 0.000 0.769 34 A CB 0.342 19.320 19.000 -0.038 0.000 1.163 34 A HN 0.552 nan 8.150 nan 0.000 0.472 35 F N 2.738 122.691 119.950 0.004 0.000 2.362 35 F HA 0.631 5.157 4.527 -0.001 0.000 0.340 35 F C -1.573 174.228 175.800 0.003 0.000 1.088 35 F CA -1.940 56.062 58.000 0.004 0.000 1.096 35 F CB 0.682 39.685 39.000 0.005 0.000 1.486 35 F HN 0.347 nan 8.300 nan 0.000 0.500 36 P HA 0.187 nan 4.420 nan 0.000 0.282 36 P C -2.381 174.978 177.300 0.098 0.000 1.259 36 P CA -1.651 61.521 63.100 0.119 0.000 0.826 36 P CB 0.995 32.749 31.700 0.091 0.000 1.064 37 P HA -0.180 nan 4.420 nan 0.000 0.220 37 P C 1.417 178.732 177.300 0.025 0.000 1.144 37 P CA 1.649 64.773 63.100 0.041 0.000 0.800 37 P CB -0.379 31.338 31.700 0.029 0.000 0.772 38 G N 0.458 109.274 108.800 0.027 0.000 2.439 38 G HA2 -0.078 3.881 3.960 -0.001 0.000 0.212 38 G HA3 -0.078 3.881 3.960 -0.001 0.000 0.212 38 G C 0.557 175.450 174.900 -0.012 0.000 1.199 38 G CA -0.006 45.099 45.100 0.008 0.000 0.807 38 G HN 0.250 nan 8.290 nan 0.000 0.537 39 K N 0.774 121.174 120.400 -0.000 0.000 2.416 39 K HA 0.363 4.682 4.320 -0.001 0.000 0.283 39 K C -0.693 175.800 176.600 -0.179 0.000 1.037 39 K CA 0.711 56.957 56.287 -0.068 0.000 0.995 39 K CB 0.604 33.107 32.500 0.004 0.000 0.938 39 K HN 0.182 nan 8.250 nan 0.000 0.475 40 M N 4.808 124.251 119.600 -0.261 0.000 2.073 40 M HA 0.209 4.689 4.480 -0.001 0.000 0.261 40 M C -2.483 173.608 176.300 -0.348 0.000 0.928 40 M CA -1.903 53.220 55.300 -0.296 0.000 1.006 40 M CB 1.935 34.452 32.600 -0.139 0.000 1.893 40 M HN 0.297 nan 8.290 nan 0.000 0.440 41 P HA 0.003 nan 4.420 nan 0.000 0.261 41 P C -0.872 176.322 177.300 -0.176 0.000 1.203 41 P CA 0.125 63.013 63.100 -0.353 0.000 0.767 41 P CB 0.160 31.629 31.700 -0.386 0.000 0.785 42 N N 3.422 122.051 118.700 -0.118 0.000 2.305 42 N HA -0.009 4.730 4.740 -0.001 0.000 0.232 42 N C 0.841 176.327 175.510 -0.040 0.000 1.274 42 N CA 0.046 53.050 53.050 -0.076 0.000 0.870 42 N CB 0.382 38.832 38.487 -0.062 0.000 1.105 42 N HN 0.399 nan 8.380 nan 0.000 0.436 43 I N 0.997 121.539 120.570 -0.046 0.000 2.752 43 I HA -0.167 4.002 4.170 -0.001 0.000 0.287 43 I C 0.531 176.707 176.117 0.099 0.000 1.188 43 I CA 0.109 61.409 61.300 0.000 0.000 1.427 43 I CB -0.247 37.687 38.000 -0.110 0.000 1.365 43 I HN 0.475 nan 8.210 nan 0.000 0.585 44 Y N 1.687 121.924 120.300 -0.106 0.000 4.784 44 Y HA -0.290 4.259 4.550 -0.001 0.000 0.278 44 Y C 0.655 176.517 175.900 -0.065 0.000 0.980 44 Y CA 0.112 58.117 58.100 -0.158 0.000 1.845 44 Y CB -2.373 35.859 38.460 -0.381 0.000 1.177 44 Y HN 0.644 nan 8.280 nan 0.000 0.460 45 N N 1.212 119.973 118.700 0.103 0.000 2.438 45 N HA 0.448 5.187 4.740 -0.001 0.000 0.267 45 N C 0.202 175.749 175.510 0.062 0.000 1.222 45 N CA 0.804 53.891 53.050 0.061 0.000 0.930 45 N CB 0.589 39.084 38.487 0.012 0.000 1.083 45 N HN 0.405 nan 8.380 nan 0.000 0.476 46 A N 3.140 125.999 122.820 0.065 0.000 2.363 46 A HA 0.434 4.754 4.320 -0.001 0.000 0.270 46 A C 0.065 177.689 177.584 0.067 0.000 1.121 46 A CA -0.407 51.667 52.037 0.061 0.000 0.800 46 A CB 0.209 19.241 19.000 0.053 0.000 1.052 46 A HN 0.654 nan 8.150 nan 0.000 0.493 47 L N 1.571 122.843 121.223 0.082 0.000 2.376 47 L HA 0.672 5.011 4.340 -0.001 0.000 0.267 47 L C -0.262 176.653 176.870 0.076 0.000 1.035 47 L CA -0.650 54.257 54.840 0.111 0.000 0.800 47 L CB 1.520 43.676 42.059 0.162 0.000 1.290 47 L HN 0.665 nan 8.230 nan 0.000 0.462 48 I N 0.236 120.848 120.570 0.070 0.000 2.656 48 I HA 0.348 4.518 4.170 -0.001 0.000 0.292 48 I C -1.150 174.984 176.117 0.029 0.000 1.144 48 I CA -0.570 60.756 61.300 0.042 0.000 1.038 48 I CB 2.449 40.471 38.000 0.037 0.000 1.244 48 I HN 0.134 nan 8.210 nan 0.000 0.420 49 V N 7.210 127.133 119.914 0.016 0.000 2.483 49 V HA 0.342 4.461 4.120 -0.001 0.000 0.295 49 V C 0.880 176.974 176.094 -0.000 0.000 1.035 49 V CA -0.627 61.674 62.300 0.001 0.000 0.896 49 V CB 1.544 33.364 31.823 -0.006 0.000 0.986 49 V HN 0.733 nan 8.190 nan 0.000 0.447 50 K N 2.487 122.883 120.400 -0.006 0.000 2.155 50 K HA 0.094 4.413 4.320 -0.001 0.000 0.203 50 K C 0.878 177.475 176.600 -0.005 0.000 1.052 50 K CA 1.102 57.387 56.287 -0.004 0.000 0.948 50 K CB 0.174 32.669 32.500 -0.008 0.000 0.728 50 K HN 0.835 nan 8.250 nan 0.000 0.448 51 G N 0.102 108.897 108.800 -0.008 0.000 2.519 51 G HA2 0.521 4.480 3.960 -0.001 0.000 0.307 51 G HA3 0.521 4.480 3.960 -0.001 0.000 0.307 51 G C -0.513 174.384 174.900 -0.006 0.000 1.266 51 G CA -0.489 44.607 45.100 -0.007 0.000 0.970 51 G HN 0.053 nan 8.290 nan 0.000 0.481 52 R N -0.402 120.095 120.500 -0.005 0.000 3.342 52 R HA 0.159 4.498 4.340 -0.001 0.000 0.093 52 R C -0.523 175.775 176.300 -0.004 0.000 0.672 52 R CA 0.301 56.398 56.100 -0.004 0.000 0.495 52 R CB -0.269 30.029 30.300 -0.002 0.000 0.508 52 R HN 0.689 nan 8.270 nan 0.000 0.335 53 D N 0.782 121.180 120.400 -0.003 0.000 2.361 53 D HA 0.062 4.701 4.640 -0.001 0.000 0.239 53 D C -0.669 175.629 176.300 -0.003 0.000 1.200 53 D CA -0.140 53.859 54.000 -0.003 0.000 0.915 53 D CB 0.398 41.197 40.800 -0.002 0.000 1.170 53 D HN 0.166 nan 8.370 nan 0.000 0.444 54 T N 1.031 115.584 114.554 -0.003 0.000 2.476 54 T HA 0.206 4.556 4.350 -0.001 0.000 0.236 54 T C 0.444 175.142 174.700 -0.002 0.000 1.100 54 T CA 0.834 62.933 62.100 -0.003 0.000 1.485 54 T CB -1.387 67.480 68.868 -0.003 0.000 1.093 54 T HN 0.917 nan 8.240 nan 0.000 0.495 55 A N 2.603 125.421 122.820 -0.003 0.000 1.679 55 A HA 0.297 4.616 4.320 -0.001 0.000 0.221 55 A C 0.909 178.492 177.584 -0.002 0.000 1.286 55 A CA 0.475 52.511 52.037 -0.002 0.000 0.693 55 A CB -1.386 17.613 19.000 -0.002 0.000 1.179 55 A HN 2.267 nan 8.150 nan 0.000 0.226 56 G N 1.479 110.278 108.800 -0.002 0.000 2.351 56 G HA2 0.595 4.554 3.960 -0.001 0.000 0.472 56 G HA3 0.595 4.554 3.960 -0.001 0.000 0.472 56 G C -1.139 173.760 174.900 -0.001 0.000 1.570 56 G CA -0.112 44.987 45.100 -0.001 0.000 0.921 56 G HN 1.906 nan 8.290 nan 0.000 0.674 57 Q N 1.717 121.517 119.800 -0.000 0.000 2.466 57 Q HA 0.593 4.932 4.340 -0.001 0.000 0.242 57 Q C -1.692 174.308 176.000 0.001 0.000 1.046 57 Q CA -1.526 54.276 55.803 -0.000 0.000 0.841 57 Q CB 1.743 30.481 28.738 -0.000 0.000 1.193 57 Q HN 0.602 nan 8.270 nan 0.000 0.508 58 P HA 0.395 nan 4.420 nan 0.000 0.287 58 P C -0.730 176.572 177.300 0.004 0.000 1.296 58 P CA -0.767 62.335 63.100 0.003 0.000 0.811 58 P CB 1.346 33.047 31.700 0.002 0.000 1.211 59 M N -0.429 119.175 119.600 0.006 0.000 2.314 59 M HA 0.146 4.625 4.480 -0.001 0.000 0.383 59 M C 0.608 176.914 176.300 0.010 0.000 0.984 59 M CA -0.136 55.169 55.300 0.008 0.000 0.982 59 M CB 0.106 32.712 32.600 0.010 0.000 1.745 59 M HN 0.096 nan 8.290 nan 0.000 0.600 60 N N 0.596 119.302 118.700 0.009 0.000 2.247 60 N HA -0.097 4.643 4.740 -0.001 0.000 0.189 60 N C 0.382 175.899 175.510 0.011 0.000 1.009 60 N CA 0.997 54.053 53.050 0.011 0.000 0.872 60 N CB -0.344 38.148 38.487 0.009 0.000 0.980 60 N HN 0.240 nan 8.380 nan 0.000 0.436 61 V N 2.768 122.688 119.914 0.009 0.000 2.356 61 V HA -0.023 4.096 4.120 -0.001 0.000 0.244 61 V C 0.171 176.273 176.094 0.013 0.000 1.120 61 V CA 0.652 62.957 62.300 0.008 0.000 1.181 61 V CB -0.842 30.984 31.823 0.004 0.000 1.244 61 V HN 0.107 nan 8.190 nan 0.000 0.487 62 T N 4.321 118.885 114.554 0.016 0.000 2.807 62 T HA 0.510 4.859 4.350 -0.001 0.000 0.279 62 T C -0.084 174.628 174.700 0.021 0.000 0.993 62 T CA -0.367 61.746 62.100 0.021 0.000 0.970 62 T CB 1.228 70.108 68.868 0.020 0.000 0.950 62 T HN 0.618 nan 8.240 nan 0.000 0.441 63 C N 1.576 120.894 119.300 0.029 0.000 2.803 63 C HA 0.729 5.188 4.460 -0.001 0.000 0.389 63 C C 0.094 175.104 174.990 0.033 0.000 1.433 63 C CA -0.848 58.187 59.018 0.028 0.000 1.714 63 C CB 1.405 29.166 27.740 0.035 0.000 2.106 63 C HN 0.923 nan 8.230 nan 0.000 0.480 64 E N 0.520 120.735 120.200 0.026 0.000 2.316 64 E HA 0.408 4.757 4.350 -0.001 0.000 0.254 64 E C -1.202 175.417 176.600 0.031 0.000 0.902 64 E CA -0.134 56.278 56.400 0.020 0.000 0.801 64 E CB 1.297 30.985 29.700 -0.020 0.000 1.270 64 E HN 0.511 nan 8.360 nan 0.000 0.414 65 V N 4.384 124.338 119.914 0.066 0.000 2.726 65 V HA -0.179 3.940 4.120 -0.001 0.000 0.304 65 V C 1.074 177.233 176.094 0.108 0.000 1.115 65 V CA 1.233 63.584 62.300 0.086 0.000 1.264 65 V CB 0.577 32.445 31.823 0.074 0.000 0.867 65 V HN 0.857 nan 8.190 nan 0.000 0.498 66 Q N 2.566 122.426 119.800 0.100 0.000 2.126 66 Q HA 0.282 4.621 4.340 -0.001 0.000 0.233 66 Q C -0.070 175.992 176.000 0.103 0.000 0.788 66 Q CA 0.052 55.937 55.803 0.137 0.000 0.968 66 Q CB 1.401 30.192 28.738 0.088 0.000 1.163 66 Q HN 0.856 nan 8.270 nan 0.000 0.471 67 Q N 0.257 120.100 119.800 0.071 0.000 2.472 67 Q HA 0.408 4.747 4.340 -0.001 0.000 0.281 67 Q C -1.199 174.825 176.000 0.040 0.000 0.997 67 Q CA -0.429 55.402 55.803 0.047 0.000 0.828 67 Q CB 2.045 30.809 28.738 0.042 0.000 1.443 67 Q HN 0.073 nan 8.270 nan 0.000 0.390 68 L N 3.412 124.650 121.223 0.024 0.000 2.603 68 L HA 0.246 4.585 4.340 -0.001 0.000 0.242 68 L C 1.258 178.142 176.870 0.024 0.000 1.169 68 L CA -0.043 54.810 54.840 0.022 0.000 1.029 68 L CB -0.065 41.994 42.059 0.001 0.000 1.361 68 L HN 0.668 nan 8.230 nan 0.000 0.439 69 L N 1.318 122.560 121.223 0.032 0.000 2.149 69 L HA -0.243 4.096 4.340 -0.001 0.000 0.223 69 L C 1.255 178.138 176.870 0.022 0.000 1.089 69 L CA 1.528 56.384 54.840 0.027 0.000 0.800 69 L CB -1.095 40.983 42.059 0.031 0.000 0.897 69 L HN 0.768 nan 8.230 nan 0.000 0.443 70 G N -1.601 107.215 108.800 0.026 0.000 2.663 70 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.686 70 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.686 70 G C 0.026 174.942 174.900 0.027 0.000 1.288 70 G CA -0.258 44.855 45.100 0.021 0.000 0.836 70 G HN 0.380 nan 8.290 nan 0.000 0.584 71 N N 0.100 118.815 118.700 0.025 0.000 2.920 71 N HA -0.187 4.552 4.740 -0.001 0.000 0.247 71 N C 0.404 175.936 175.510 0.037 0.000 1.123 71 N CA 1.343 54.409 53.050 0.025 0.000 0.711 71 N CB -1.294 37.206 38.487 0.021 0.000 1.065 71 N HN 1.682 nan 8.380 nan 0.000 0.554 72 N N -0.561 118.167 118.700 0.047 0.000 2.614 72 N HA -0.237 4.502 4.740 -0.001 0.000 0.276 72 N C -0.297 175.271 175.510 0.097 0.000 1.119 72 N CA 1.589 54.683 53.050 0.073 0.000 0.742 72 N CB -0.700 37.828 38.487 0.068 0.000 0.900 72 N HN 0.764 nan 8.380 nan 0.000 0.549 73 R N -0.419 120.145 120.500 0.107 0.000 3.072 73 R HA 0.221 4.560 4.340 -0.001 0.000 0.293 73 R C -0.811 175.559 176.300 0.115 0.000 1.210 73 R CA -0.614 55.556 56.100 0.116 0.000 1.121 73 R CB 0.374 30.712 30.300 0.063 0.000 1.286 73 R HN 0.095 nan 8.270 nan 0.000 0.393 74 V N 1.243 121.265 119.914 0.180 0.000 2.743 74 V HA 0.699 4.818 4.120 -0.001 0.000 0.301 74 V C 0.073 176.237 176.094 0.118 0.000 1.057 74 V CA -0.689 61.695 62.300 0.140 0.000 1.006 74 V CB 1.604 33.531 31.823 0.173 0.000 1.024 74 V HN 0.825 nan 8.190 nan 0.000 0.473 75 R N 2.433 122.983 120.500 0.084 0.000 2.782 75 R HA 0.899 5.238 4.340 -0.001 0.000 0.258 75 R C -0.637 175.704 176.300 0.068 0.000 1.055 75 R CA 0.031 56.169 56.100 0.064 0.000 1.065 75 R CB 1.895 32.223 30.300 0.046 0.000 1.172 75 R HN 1.402 nan 8.270 nan 0.000 0.510 76 A N 1.509 124.360 122.820 0.052 0.000 2.594 76 A HA 0.439 4.758 4.320 -0.001 0.000 0.296 76 A C -1.742 175.858 177.584 0.027 0.000 1.056 76 A CA -0.661 51.405 52.037 0.048 0.000 0.693 76 A CB 1.693 20.734 19.000 0.067 0.000 1.278 76 A HN 0.426 nan 8.150 nan 0.000 0.408 77 V N 1.646 121.569 119.914 0.015 0.000 2.472 77 V HA 0.671 4.790 4.120 -0.001 0.000 0.290 77 V C 0.878 176.975 176.094 0.005 0.000 1.037 77 V CA 0.189 62.492 62.300 0.004 0.000 0.908 77 V CB 1.463 33.282 31.823 -0.007 0.000 0.985 77 V HN 1.504 nan 8.190 nan 0.000 0.454 78 A N 5.604 128.427 122.820 0.005 0.000 2.304 78 A HA 0.617 4.936 4.320 -0.001 0.000 0.271 78 A C 0.686 178.271 177.584 0.003 0.000 1.091 78 A CA -0.401 51.640 52.037 0.006 0.000 0.812 78 A CB 0.633 19.636 19.000 0.005 0.000 1.056 78 A HN 0.768 nan 8.150 nan 0.000 0.489 79 M N 0.385 119.988 119.600 0.005 0.000 2.461 79 M HA 0.165 4.645 4.480 -0.001 0.000 0.255 79 M C 0.333 176.637 176.300 0.006 0.000 1.137 79 M CA 0.554 55.856 55.300 0.004 0.000 1.086 79 M CB -0.883 31.720 32.600 0.005 0.000 1.356 79 M HN 0.563 nan 8.290 nan 0.000 0.487 80 S N 0.363 116.067 115.700 0.006 0.000 2.726 80 S HA 0.774 5.243 4.470 -0.001 0.000 0.308 80 S C -0.293 174.309 174.600 0.002 0.000 1.115 80 S CA -0.931 57.272 58.200 0.005 0.000 0.965 80 S CB 1.992 65.196 63.200 0.007 0.000 1.145 80 S HN 0.299 nan 8.310 nan 0.000 0.532 81 A N 1.307 124.127 122.820 0.001 0.000 2.409 81 A HA 0.447 4.766 4.320 -0.001 0.000 0.262 81 A C 1.250 178.833 177.584 -0.001 0.000 1.113 81 A CA -0.152 51.885 52.037 -0.001 0.000 0.790 81 A CB -0.341 18.658 19.000 -0.002 0.000 1.046 81 A HN 0.902 nan 8.150 nan 0.000 0.496 82 T N -0.252 114.301 114.554 -0.002 0.000 3.148 82 T HA 0.020 4.369 4.350 -0.001 0.000 0.253 82 T C 0.040 174.738 174.700 -0.004 0.000 1.134 82 T CA 0.241 62.339 62.100 -0.003 0.000 1.051 82 T CB -0.481 68.385 68.868 -0.004 0.000 0.959 82 T HN 0.556 nan 8.240 nan 0.000 0.525 83 D N 2.073 122.471 120.400 -0.004 0.000 2.472 83 D HA 0.375 5.014 4.640 -0.001 0.000 0.248 83 D C 1.513 177.811 176.300 -0.005 0.000 1.174 83 D CA 1.542 55.540 54.000 -0.004 0.000 0.883 83 D CB 0.354 41.151 40.800 -0.004 0.000 1.149 83 D HN 0.478 nan 8.370 nan 0.000 0.488 84 G N 1.763 110.560 108.800 -0.005 0.000 2.213 84 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.236 84 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.236 84 G C 0.519 175.415 174.900 -0.007 0.000 0.991 84 G CA -0.224 44.873 45.100 -0.006 0.000 0.629 84 G HN 0.463 nan 8.290 nan 0.000 0.517 85 L N 0.664 121.883 121.223 -0.008 0.000 2.474 85 L HA 0.585 4.924 4.340 -0.001 0.000 0.259 85 L C 0.932 177.795 176.870 -0.012 0.000 1.232 85 L CA 0.410 55.244 54.840 -0.010 0.000 0.821 85 L CB 0.571 42.624 42.059 -0.010 0.000 1.108 85 L HN 0.192 nan 8.230 nan 0.000 0.495 86 T N -0.429 114.116 114.554 -0.015 0.000 2.883 86 T HA 0.391 4.740 4.350 -0.001 0.000 0.296 86 T C -0.523 174.163 174.700 -0.022 0.000 1.117 86 T CA -0.794 61.296 62.100 -0.017 0.000 1.006 86 T CB 1.828 70.687 68.868 -0.015 0.000 1.191 86 T HN 0.403 nan 8.240 nan 0.000 0.508 87 R N 0.246 120.732 120.500 -0.022 0.000 2.441 87 R HA 0.481 4.820 4.340 -0.001 0.000 0.284 87 R C 1.243 177.524 176.300 -0.032 0.000 1.070 87 R CA 1.137 57.220 56.100 -0.028 0.000 1.047 87 R CB 0.560 30.846 30.300 -0.023 0.000 1.016 87 R HN 1.010 nan 8.270 nan 0.000 0.477 88 G N 2.136 110.910 108.800 -0.043 0.000 2.213 88 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.236 88 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.236 88 G C 0.241 175.111 174.900 -0.050 0.000 0.991 88 G CA -0.421 44.651 45.100 -0.046 0.000 0.629 88 G HN 0.476 nan 8.290 nan 0.000 0.517 89 M N 1.726 121.298 119.600 -0.047 0.000 2.252 89 M HA 0.206 4.685 4.480 -0.001 0.000 0.348 89 M C 0.556 176.817 176.300 -0.065 0.000 1.334 89 M CA 0.482 55.755 55.300 -0.044 0.000 1.071 89 M CB 0.233 32.813 32.600 -0.035 0.000 1.763 89 M HN 0.253 nan 8.290 nan 0.000 0.452 90 E N 2.101 122.267 120.200 -0.057 0.000 2.480 90 E HA 0.118 4.467 4.350 -0.001 0.000 0.258 90 E C -0.714 175.844 176.600 -0.070 0.000 0.984 90 E CA -0.144 56.214 56.400 -0.069 0.000 0.930 90 E CB 0.509 30.184 29.700 -0.041 0.000 0.936 90 E HN 0.356 nan 8.360 nan 0.000 0.466 91 V N 4.205 124.047 119.914 -0.119 0.000 3.093 91 V HA 0.559 4.678 4.120 -0.001 0.000 0.320 91 V C 0.084 176.159 176.094 -0.031 0.000 1.093 91 V CA -0.916 61.331 62.300 -0.088 0.000 1.016 91 V CB 1.720 33.434 31.823 -0.182 0.000 1.096 91 V HN 0.592 nan 8.190 nan 0.000 0.452 92 I N 1.070 121.682 120.570 0.069 0.000 2.644 92 I HA 0.423 4.592 4.170 -0.001 0.000 0.291 92 I C -1.557 174.681 176.117 0.201 0.000 1.180 92 I CA -0.439 60.945 61.300 0.140 0.000 1.040 92 I CB 2.150 40.196 38.000 0.077 0.000 1.255 92 I HN 0.812 nan 8.210 nan 0.000 0.422 93 D N 4.720 125.267 120.400 0.244 0.000 2.393 93 D HA 0.102 4.741 4.640 -0.001 0.000 0.232 93 D C 1.118 177.460 176.300 0.070 0.000 1.192 93 D CA 0.110 54.191 54.000 0.136 0.000 0.882 93 D CB 1.351 42.158 40.800 0.011 0.000 1.038 93 D HN 0.584 nan 8.370 nan 0.000 0.499 94 T N 2.804 117.394 114.554 0.061 0.000 2.778 94 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 94 T C 1.490 176.205 174.700 0.026 0.000 1.050 94 T CA 2.025 64.150 62.100 0.042 0.000 1.137 94 T CB -0.523 68.369 68.868 0.040 0.000 0.860 94 T HN 0.856 nan 8.240 nan 0.000 0.468 95 G N -0.476 108.333 108.800 0.014 0.000 2.148 95 G HA2 0.256 4.215 3.960 -0.001 0.000 0.203 95 G HA3 0.256 4.215 3.960 -0.001 0.000 0.203 95 G C 0.215 175.117 174.900 0.004 0.000 0.993 95 G CA 0.157 45.257 45.100 0.000 0.000 0.661 95 G HN 1.393 nan 8.290 nan 0.000 0.518 96 A N -1.059 121.770 122.820 0.015 0.000 2.410 96 A HA 0.870 5.189 4.320 -0.001 0.000 0.300 96 A C -3.005 174.605 177.584 0.044 0.000 1.077 96 A CA -0.128 51.924 52.037 0.025 0.000 0.610 96 A CB 0.536 19.550 19.000 0.024 0.000 1.371 96 A HN 0.438 nan 8.150 nan 0.000 0.510 97 P HA 0.341 nan 4.420 nan 0.000 0.274 97 P C -0.356 176.993 177.300 0.082 0.000 1.246 97 P CA -0.214 62.953 63.100 0.112 0.000 0.795 97 P CB 0.455 32.270 31.700 0.192 0.000 1.006 98 L N 1.496 122.771 121.223 0.086 0.000 2.615 98 L HA -0.013 4.326 4.340 -0.001 0.000 0.271 98 L C 0.605 177.476 176.870 0.002 0.000 1.183 98 L CA 0.429 55.289 54.840 0.034 0.000 0.933 98 L CB -0.154 41.915 42.059 0.017 0.000 1.199 98 L HN 0.444 nan 8.230 nan 0.000 0.487 99 S N 3.720 119.418 115.700 -0.005 0.000 2.420 99 S HA 0.501 4.970 4.470 -0.001 0.000 0.313 99 S C -0.302 174.269 174.600 -0.049 0.000 1.079 99 S CA -1.014 57.170 58.200 -0.026 0.000 1.104 99 S CB 1.313 64.505 63.200 -0.013 0.000 0.969 99 S HN 0.253 nan 8.310 nan 0.000 0.471 100 V N 5.275 125.138 119.914 -0.085 0.000 2.686 100 V HA 0.469 4.588 4.120 -0.001 0.000 0.295 100 V C -1.916 174.095 176.094 -0.139 0.000 1.057 100 V CA -1.992 60.236 62.300 -0.119 0.000 1.012 100 V CB 1.297 33.015 31.823 -0.175 0.000 1.006 100 V HN 0.760 nan 8.190 nan 0.000 0.477 101 P HA 0.327 nan 4.420 nan 0.000 0.287 101 P C -0.792 176.344 177.300 -0.274 0.000 1.281 101 P CA 0.044 63.053 63.100 -0.152 0.000 0.781 101 P CB 1.568 33.227 31.700 -0.069 0.000 0.903 102 V N 0.345 120.072 119.914 -0.313 0.000 3.181 102 V HA 1.012 5.131 4.120 -0.001 0.000 0.314 102 V C 0.238 175.947 176.094 -0.641 0.000 1.173 102 V CA -0.235 61.767 62.300 -0.496 0.000 1.052 102 V CB 0.982 32.492 31.823 -0.520 0.000 1.123 102 V HN 0.953 nan 8.190 nan 0.000 0.454 103 G N -0.274 107.921 108.800 -1.008 0.000 2.362 103 G HA2 0.318 4.277 3.960 -0.001 0.000 0.517 103 G HA3 0.318 4.277 3.960 -0.001 0.000 0.517 103 G C 0.533 175.296 174.900 -0.228 0.000 1.256 103 G CA -0.162 44.335 45.100 -1.006 0.000 1.027 103 G HN 1.819 nan 8.290 nan 0.000 0.491 104 G N 0.442 109.276 108.800 0.057 0.000 2.432 104 G HA2 0.135 4.094 3.960 -0.001 0.000 0.219 104 G HA3 0.135 4.094 3.960 -0.001 0.000 0.219 104 G C -0.078 174.911 174.900 0.148 0.000 1.135 104 G CA 1.749 46.977 45.100 0.213 0.000 0.767 104 G HN 0.819 nan 8.290 nan 0.000 0.550 105 P HA 0.132 nan 4.420 nan 0.000 0.225 105 P C 0.275 177.681 177.300 0.176 0.000 1.768 105 P CA 0.829 63.989 63.100 0.101 0.000 0.943 105 P CB -0.167 31.569 31.700 0.060 0.000 1.936 106 T N -3.497 111.205 114.554 0.246 0.000 3.147 106 T HA 0.140 4.490 4.350 -0.001 0.000 0.275 106 T C 0.402 175.385 174.700 0.472 0.000 0.879 106 T CA -0.085 62.303 62.100 0.481 0.000 0.863 106 T CB -0.447 68.496 68.868 0.124 0.000 1.236 106 T HN -0.048 nan 8.240 nan 0.000 0.582 107 L N 2.373 123.773 121.223 0.295 0.000 2.426 107 L HA 0.569 4.908 4.340 -0.001 0.000 0.271 107 L C 1.678 178.648 176.870 0.166 0.000 1.169 107 L CA 1.220 56.194 54.840 0.222 0.000 0.836 107 L CB 0.308 42.452 42.059 0.142 0.000 1.112 107 L HN 0.546 nan 8.230 nan 0.000 0.465 108 G N 1.081 109.973 108.800 0.154 0.000 2.155 108 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.257 108 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.257 108 G C 0.208 175.182 174.900 0.123 0.000 0.983 108 G CA -0.211 44.966 45.100 0.128 0.000 0.676 108 G HN 0.427 nan 8.290 nan 0.000 0.528 109 R N -0.742 119.814 120.500 0.094 0.000 2.807 109 R HA 0.681 5.020 4.340 -0.001 0.000 0.276 109 R C -0.242 175.958 176.300 -0.166 0.000 0.979 109 R CA -1.148 54.884 56.100 -0.113 0.000 0.928 109 R CB 1.281 31.346 30.300 -0.392 0.000 1.191 109 R HN 0.188 nan 8.270 nan 0.000 0.471 110 I N 2.390 122.805 120.570 -0.259 0.000 2.321 110 I HA 0.296 4.465 4.170 -0.001 0.000 0.291 110 I C -0.425 175.555 176.117 -0.228 0.000 0.998 110 I CA -0.310 60.911 61.300 -0.131 0.000 1.227 110 I CB 0.546 38.449 38.000 -0.162 0.000 1.368 110 I HN 0.267 nan 8.210 nan 0.000 0.466 111 F N 4.575 124.556 119.950 0.051 0.000 2.432 111 F HA 0.378 4.904 4.527 -0.001 0.000 0.329 111 F C 0.721 176.542 175.800 0.036 0.000 1.076 111 F CA -0.558 57.460 58.000 0.030 0.000 1.018 111 F CB 0.969 39.975 39.000 0.011 0.000 1.201 111 F HN 0.418 nan 8.300 nan 0.000 0.489 112 N N -0.202 118.634 118.700 0.227 0.000 2.408 112 N HA 0.199 4.938 4.740 -0.001 0.000 0.260 112 N C 0.740 176.310 175.510 0.100 0.000 1.242 112 N CA -0.311 52.816 53.050 0.127 0.000 0.959 112 N CB 1.321 39.865 38.487 0.094 0.000 1.201 112 N HN 0.343 nan 8.380 nan 0.000 0.511 113 V N 1.013 120.962 119.914 0.058 0.000 3.141 113 V HA -0.074 4.045 4.120 -0.001 0.000 0.265 113 V C 1.513 177.610 176.094 0.006 0.000 1.126 113 V CA 1.228 63.540 62.300 0.021 0.000 1.141 113 V CB -0.643 31.188 31.823 0.013 0.000 0.743 113 V HN 0.493 nan 8.190 nan 0.000 0.492 114 L N 0.225 121.464 121.223 0.027 0.000 2.640 114 L HA 0.458 4.797 4.340 -0.001 0.000 0.230 114 L C 1.699 178.585 176.870 0.027 0.000 1.123 114 L CA 0.694 55.544 54.840 0.017 0.000 0.900 114 L CB 0.013 42.086 42.059 0.023 0.000 1.146 114 L HN 0.443 nan 8.230 nan 0.000 0.484 115 G N 0.423 109.258 108.800 0.059 0.000 2.143 115 G HA2 -0.244 3.716 3.960 -0.001 0.000 0.249 115 G HA3 -0.244 3.716 3.960 -0.001 0.000 0.249 115 G C 0.033 175.085 174.900 0.253 0.000 0.981 115 G CA -0.140 45.023 45.100 0.105 0.000 0.665 115 G HN 0.478 nan 8.290 nan 0.000 0.528 116 E N 1.716 122.025 120.200 0.181 0.000 2.331 116 E HA 0.381 4.730 4.350 -0.001 0.000 0.272 116 E C -2.277 174.381 176.600 0.097 0.000 1.036 116 E CA -1.842 54.632 56.400 0.124 0.000 0.864 116 E CB 1.328 31.065 29.700 0.063 0.000 1.035 116 E HN 0.236 nan 8.360 nan 0.000 0.408 117 P HA 0.012 nan 4.420 nan 0.000 0.276 117 P C -0.072 177.164 177.300 -0.106 0.000 1.235 117 P CA -0.049 62.953 63.100 -0.164 0.000 0.772 117 P CB 0.876 32.483 31.700 -0.156 0.000 0.871 118 V N 2.699 122.531 119.914 -0.137 0.000 2.915 118 V HA 0.071 4.190 4.120 -0.001 0.000 0.364 118 V C 0.763 176.785 176.094 -0.120 0.000 1.354 118 V CA 0.183 62.431 62.300 -0.088 0.000 1.213 118 V CB -0.212 31.584 31.823 -0.045 0.000 1.268 118 V HN 0.584 nan 8.190 nan 0.000 0.557 119 D N -1.489 118.830 120.400 -0.135 0.000 2.513 119 D HA 0.075 4.714 4.640 -0.001 0.000 0.222 119 D C 0.276 176.546 176.300 -0.051 0.000 1.210 119 D CA -0.673 53.258 54.000 -0.115 0.000 0.825 119 D CB -0.399 40.328 40.800 -0.121 0.000 1.037 119 D HN 0.191 nan 8.370 nan 0.000 0.506 120 N N 0.614 119.284 118.700 -0.051 0.000 2.650 120 N HA -0.175 4.564 4.740 -0.001 0.000 0.272 120 N C -0.506 174.996 175.510 -0.014 0.000 1.058 120 N CA 0.453 53.487 53.050 -0.027 0.000 0.765 120 N CB -0.971 37.507 38.487 -0.015 0.000 0.902 120 N HN 0.470 nan 8.380 nan 0.000 0.551 121 L N -0.297 120.912 121.223 -0.023 0.000 3.431 121 L HA 0.346 4.685 4.340 -0.001 0.000 0.316 121 L C 0.496 177.357 176.870 -0.015 0.000 1.305 121 L CA -0.404 54.429 54.840 -0.012 0.000 0.995 121 L CB 0.227 42.280 42.059 -0.010 0.000 1.411 121 L HN 0.364 nan 8.230 nan 0.000 0.610 122 R N -0.730 119.761 120.500 -0.016 0.000 4.182 122 R HA -0.099 4.241 4.340 -0.001 0.000 0.314 122 R C -2.636 173.657 176.300 -0.013 0.000 0.241 122 R CA -0.274 55.820 56.100 -0.009 0.000 1.046 122 R CB -1.621 28.678 30.300 -0.002 0.000 1.184 122 R HN 0.020 nan 8.270 nan 0.000 0.463 123 P HA 0.227 nan 4.420 nan 0.000 0.286 123 P C -0.747 176.561 177.300 0.013 0.000 1.293 123 P CA -0.414 62.690 63.100 0.006 0.000 0.770 123 P CB 0.436 32.144 31.700 0.014 0.000 1.206 124 V N 0.922 120.859 119.914 0.038 0.000 2.370 124 V HA 0.162 4.281 4.120 -0.001 0.000 0.283 124 V C 0.239 176.368 176.094 0.058 0.000 1.023 124 V CA -0.289 62.052 62.300 0.069 0.000 0.857 124 V CB 0.857 32.776 31.823 0.161 0.000 0.985 124 V HN 0.417 nan 8.190 nan 0.000 0.443 125 D N 3.819 124.249 120.400 0.049 0.000 2.741 125 D HA 0.156 4.795 4.640 -0.001 0.000 0.233 125 D C 0.858 177.178 176.300 0.034 0.000 1.160 125 D CA 0.059 54.081 54.000 0.036 0.000 1.003 125 D CB 0.832 41.651 40.800 0.031 0.000 1.064 125 D HN 0.711 nan 8.370 nan 0.000 0.503 126 T N -2.197 112.374 114.554 0.027 0.000 2.849 126 T HA 0.283 4.632 4.350 -0.001 0.000 0.284 126 T C 1.379 176.075 174.700 -0.006 0.000 1.004 126 T CA -0.682 61.417 62.100 -0.002 0.000 1.021 126 T CB 2.210 71.061 68.868 -0.029 0.000 1.013 126 T HN 0.087 nan 8.240 nan 0.000 0.527 127 R N 0.234 120.723 120.500 -0.018 0.000 2.090 127 R HA 0.186 4.525 4.340 -0.001 0.000 0.219 127 R C 0.271 176.570 176.300 -0.001 0.000 1.100 127 R CA 0.618 56.719 56.100 0.003 0.000 0.991 127 R CB -0.018 30.297 30.300 0.025 0.000 0.893 127 R HN 0.662 nan 8.270 nan 0.000 0.443 128 T N 0.100 114.640 114.554 -0.024 0.000 2.889 128 T HA 0.197 4.546 4.350 -0.001 0.000 0.315 128 T C -0.201 174.467 174.700 -0.052 0.000 1.291 128 T CA -0.771 61.319 62.100 -0.017 0.000 1.028 128 T CB 2.401 71.280 68.868 0.018 0.000 1.235 128 T HN 0.137 nan 8.240 nan 0.000 0.491 129 T N -0.343 114.189 114.554 -0.036 0.000 2.900 129 T HA 0.733 5.082 4.350 -0.001 0.000 0.326 129 T C 0.159 174.828 174.700 -0.052 0.000 1.145 129 T CA -0.750 61.318 62.100 -0.054 0.000 0.963 129 T CB 0.656 69.504 68.868 -0.033 0.000 1.512 129 T HN 0.744 nan 8.240 nan 0.000 0.552 130 S N 1.311 116.978 115.700 -0.055 0.000 2.658 130 S HA 0.341 4.810 4.470 -0.001 0.000 0.312 130 S C -3.267 171.304 174.600 -0.049 0.000 1.006 130 S CA -1.092 57.083 58.200 -0.042 0.000 0.855 130 S CB 1.328 64.499 63.200 -0.049 0.000 1.053 130 S HN 0.641 nan 8.310 nan 0.000 0.455 131 P HA 0.280 nan 4.420 nan 0.000 0.271 131 P C 1.171 178.436 177.300 -0.059 0.000 1.226 131 P CA -0.428 62.666 63.100 -0.011 0.000 0.765 131 P CB 0.035 31.759 31.700 0.039 0.000 0.835 132 I N 0.168 120.653 120.570 -0.141 0.000 3.083 132 I HA -0.065 4.104 4.170 -0.001 0.000 0.273 132 I C 0.604 176.523 176.117 -0.329 0.000 1.297 132 I CA 0.789 61.935 61.300 -0.256 0.000 1.452 132 I CB -1.058 36.741 38.000 -0.334 0.000 1.078 132 I HN 0.308 nan 8.210 nan 0.000 0.484 133 H N 4.359 123.432 119.070 0.006 0.000 2.702 133 H HA 0.499 5.054 4.556 -0.001 0.000 0.252 133 H C -0.371 174.977 175.328 0.034 0.000 1.493 133 H CA -0.212 55.865 56.048 0.048 0.000 1.273 133 H CB 0.234 30.066 29.762 0.116 0.000 1.537 133 H HN 0.343 nan 8.280 nan 0.000 0.547 134 R N 1.150 121.706 120.500 0.093 0.000 2.534 134 R HA 0.247 4.586 4.340 -0.001 0.000 0.301 134 R C -0.102 176.227 176.300 0.049 0.000 0.961 134 R CA -0.800 55.332 56.100 0.053 0.000 0.871 134 R CB 1.891 32.197 30.300 0.010 0.000 1.170 134 R HN 0.367 nan 8.270 nan 0.000 0.446 135 S N 1.648 117.373 115.700 0.041 0.000 2.466 135 S HA 0.221 4.690 4.470 -0.001 0.000 0.286 135 S C 0.843 175.456 174.600 0.022 0.000 1.221 135 S CA -0.756 57.464 58.200 0.032 0.000 1.091 135 S CB 0.860 64.074 63.200 0.022 0.000 0.956 135 S HN 0.716 nan 8.310 nan 0.000 0.501 136 A N 4.918 127.752 122.820 0.023 0.000 2.599 136 A HA 0.305 4.624 4.320 -0.001 0.000 0.240 136 A C -1.890 175.705 177.584 0.017 0.000 1.109 136 A CA -0.684 51.363 52.037 0.015 0.000 0.798 136 A CB -1.143 17.869 19.000 0.020 0.000 1.050 136 A HN 0.661 nan 8.150 nan 0.000 0.518 137 P HA 0.363 nan 4.420 nan 0.000 0.269 137 P C 0.095 177.418 177.300 0.038 0.000 1.215 137 P CA 0.476 63.584 63.100 0.014 0.000 0.780 137 P CB 0.552 32.252 31.700 0.000 0.000 0.898 138 A N 1.907 124.752 122.820 0.041 0.000 2.281 138 A HA 0.085 4.404 4.320 -0.001 0.000 0.271 138 A C 0.890 178.554 177.584 0.133 0.000 1.196 138 A CA 0.038 52.123 52.037 0.079 0.000 0.807 138 A CB -0.678 18.360 19.000 0.065 0.000 1.138 138 A HN 0.580 nan 8.150 nan 0.000 0.506 139 F N -0.334 119.613 119.950 -0.005 0.000 2.456 139 F HA 0.027 4.554 4.527 -0.001 0.000 0.298 139 F C 1.693 177.489 175.800 -0.007 0.000 1.104 139 F CA 1.921 59.918 58.000 -0.005 0.000 1.435 139 F CB -0.078 38.920 39.000 -0.004 0.000 1.078 139 F HN 0.350 nan 8.300 nan 0.000 0.546 140 T N -0.017 114.508 114.554 -0.049 0.000 3.223 140 T HA 0.104 4.453 4.350 -0.001 0.000 0.259 140 T C 1.008 175.647 174.700 -0.102 0.000 1.015 140 T CA 0.017 62.033 62.100 -0.140 0.000 0.908 140 T CB -0.095 68.745 68.868 -0.047 0.000 1.054 140 T HN 0.351 nan 8.240 nan 0.000 0.567 141 Q N 0.392 120.142 119.800 -0.083 0.000 2.171 141 Q HA 0.357 4.696 4.340 -0.001 0.000 0.218 141 Q C 0.166 176.121 176.000 -0.074 0.000 0.822 141 Q CA -0.120 55.647 55.803 -0.061 0.000 0.987 141 Q CB 0.576 29.295 28.738 -0.030 0.000 1.144 141 Q HN 0.473 nan 8.270 nan 0.000 0.494 142 L N 0.122 121.274 121.223 -0.117 0.000 2.567 142 L HA 0.434 4.773 4.340 -0.001 0.000 0.238 142 L C 0.152 176.953 176.870 -0.114 0.000 1.168 142 L CA -0.465 54.308 54.840 -0.111 0.000 0.817 142 L CB 0.546 42.519 42.059 -0.145 0.000 1.409 142 L HN -0.035 nan 8.230 nan 0.000 0.502 143 D N -2.032 118.311 120.400 -0.094 0.000 2.615 143 D HA 0.157 4.796 4.640 -0.001 0.000 0.267 143 D C -0.487 175.773 176.300 -0.067 0.000 1.236 143 D CA -0.294 53.657 54.000 -0.080 0.000 0.839 143 D CB 2.324 43.088 40.800 -0.061 0.000 1.380 143 D HN 0.459 nan 8.370 nan 0.000 0.433 144 T N -0.673 113.847 114.554 -0.057 0.000 3.043 144 T HA 0.102 4.451 4.350 -0.001 0.000 0.272 144 T C 0.073 174.753 174.700 -0.034 0.000 0.990 144 T CA -0.035 62.039 62.100 -0.043 0.000 0.897 144 T CB 0.135 68.977 68.868 -0.042 0.000 1.111 144 T HN 0.093 nan 8.240 nan 0.000 0.529 145 K N 1.746 122.126 120.400 -0.033 0.000 2.489 145 K HA 0.216 4.536 4.320 -0.001 0.000 0.278 145 K C -0.604 175.983 176.600 -0.023 0.000 1.000 145 K CA 0.441 56.714 56.287 -0.024 0.000 1.012 145 K CB 0.477 32.964 32.500 -0.021 0.000 0.903 145 K HN 0.330 nan 8.250 nan 0.000 0.485 146 L N 2.220 123.435 121.223 -0.013 0.000 2.462 146 L HA 0.189 4.528 4.340 -0.001 0.000 0.255 146 L C -0.018 176.859 176.870 0.012 0.000 1.076 146 L CA -0.522 54.313 54.840 -0.008 0.000 0.920 146 L CB 1.427 43.481 42.059 -0.009 0.000 1.214 146 L HN 0.484 nan 8.230 nan 0.000 0.472 147 S N 1.913 117.624 115.700 0.018 0.000 2.646 147 S HA 0.602 5.071 4.470 -0.001 0.000 0.276 147 S C -0.022 174.637 174.600 0.099 0.000 1.222 147 S CA -0.459 57.776 58.200 0.057 0.000 1.014 147 S CB 1.388 64.629 63.200 0.068 0.000 0.991 147 S HN 0.474 nan 8.310 nan 0.000 0.533 148 I N 1.717 122.373 120.570 0.144 0.000 3.156 148 I HA 0.461 4.630 4.170 -0.001 0.000 0.306 148 I C -1.114 175.216 176.117 0.355 0.000 1.048 148 I CA -0.589 60.834 61.300 0.205 0.000 1.207 148 I CB 0.702 38.805 38.000 0.171 0.000 1.456 148 I HN 0.683 nan 8.210 nan 0.000 0.616 149 F N 3.255 123.265 119.950 0.100 0.000 2.971 149 F HA 0.309 4.836 4.527 -0.001 0.000 0.373 149 F C -0.440 175.363 175.800 0.005 0.000 1.288 149 F CA -0.768 57.285 58.000 0.088 0.000 1.204 149 F CB 0.462 39.580 39.000 0.196 0.000 1.852 149 F HN 0.385 nan 8.300 nan 0.000 0.624 150 E N 1.583 121.749 120.200 -0.056 0.000 2.585 150 E HA 0.024 4.374 4.350 -0.001 0.000 0.252 150 E C 1.023 177.463 176.600 -0.268 0.000 0.981 150 E CA 0.782 57.100 56.400 -0.137 0.000 0.943 150 E CB 0.840 30.465 29.700 -0.124 0.000 0.923 150 E HN 0.657 nan 8.360 nan 0.000 0.486 151 T N 0.371 114.764 114.554 -0.267 0.000 2.898 151 T HA 0.221 4.571 4.350 -0.001 0.000 0.241 151 T C 1.316 175.851 174.700 -0.275 0.000 1.024 151 T CA 0.335 62.252 62.100 -0.305 0.000 1.174 151 T CB 0.220 68.876 68.868 -0.354 0.000 0.873 151 T HN 0.650 nan 8.240 nan 0.000 0.422 152 G N 1.143 109.829 108.800 -0.189 0.000 2.188 152 G HA2 0.069 4.028 3.960 -0.001 0.000 0.112 152 G HA3 0.069 4.028 3.960 -0.001 0.000 0.112 152 G C -0.354 174.532 174.900 -0.024 0.000 1.048 152 G CA -0.412 44.620 45.100 -0.114 0.000 0.720 152 G HN 0.642 nan 8.290 nan 0.000 0.487 153 I N -0.088 120.469 120.570 -0.022 0.000 2.582 153 I HA 0.347 4.517 4.170 -0.001 0.000 0.292 153 I C 0.906 177.059 176.117 0.061 0.000 1.066 153 I CA -1.065 60.274 61.300 0.065 0.000 1.053 153 I CB 1.983 40.056 38.000 0.123 0.000 1.241 153 I HN -0.071 nan 8.210 nan 0.000 0.421 154 K N 3.424 123.869 120.400 0.075 0.000 2.699 154 K HA 0.070 4.389 4.320 -0.001 0.000 0.205 154 K C 0.583 177.236 176.600 0.088 0.000 1.008 154 K CA 0.438 56.768 56.287 0.071 0.000 1.100 154 K CB 0.020 32.516 32.500 -0.007 0.000 0.878 154 K HN 0.512 nan 8.250 nan 0.000 0.496 155 V N -1.801 118.159 119.914 0.078 0.000 3.368 155 V HA -0.057 4.062 4.120 -0.001 0.000 0.255 155 V C 1.577 177.711 176.094 0.066 0.000 1.466 155 V CA 0.105 62.444 62.300 0.065 0.000 1.095 155 V CB 0.715 32.601 31.823 0.105 0.000 0.899 155 V HN -0.026 nan 8.190 nan 0.000 0.440 156 V N 1.067 121.020 119.914 0.064 0.000 2.298 156 V HA -0.108 4.011 4.120 -0.001 0.000 0.226 156 V C 2.126 178.255 176.094 0.058 0.000 1.053 156 V CA 2.045 64.376 62.300 0.053 0.000 1.029 156 V CB -0.766 31.009 31.823 -0.079 0.000 0.659 156 V HN 0.545 nan 8.190 nan 0.000 0.470 157 N N 0.368 119.068 118.700 -0.001 0.000 2.476 157 N HA -0.212 4.527 4.740 -0.001 0.000 0.196 157 N C 1.333 176.928 175.510 0.142 0.000 1.024 157 N CA 1.508 54.590 53.050 0.053 0.000 0.909 157 N CB -0.252 38.221 38.487 -0.022 0.000 0.947 157 N HN 0.409 nan 8.380 nan 0.000 0.450 158 L N -0.559 120.731 121.223 0.113 0.000 2.445 158 L HA 0.253 4.593 4.340 -0.001 0.000 0.207 158 L C 1.493 178.479 176.870 0.193 0.000 1.053 158 L CA 0.784 55.706 54.840 0.136 0.000 0.841 158 L CB 0.195 42.218 42.059 -0.059 0.000 1.074 158 L HN -0.042 nan 8.230 nan 0.000 0.479 159 L N -0.098 121.180 121.223 0.092 0.000 2.766 159 L HA 0.559 4.898 4.340 -0.001 0.000 0.242 159 L C -0.009 176.912 176.870 0.085 0.000 1.136 159 L CA 0.342 55.215 54.840 0.056 0.000 0.933 159 L CB 0.268 42.327 42.059 0.000 0.000 1.241 159 L HN 0.235 nan 8.230 nan 0.000 0.522 160 A N 0.831 123.729 122.820 0.131 0.000 1.922 160 A HA 0.369 4.688 4.320 -0.001 0.000 0.272 160 A C -2.836 174.882 177.584 0.223 0.000 1.356 160 A CA -0.639 51.490 52.037 0.152 0.000 1.041 160 A CB -0.016 19.081 19.000 0.161 0.000 1.197 160 A HN -0.171 nan 8.150 nan 0.000 0.533 161 P HA 0.295 nan 4.420 nan 0.000 0.274 161 P C -0.992 176.568 177.300 0.433 0.000 1.260 161 P CA 0.058 63.320 63.100 0.270 0.000 0.793 161 P CB 0.544 32.370 31.700 0.209 0.000 1.048 162 Y N 0.295 120.689 120.300 0.157 0.000 2.491 162 Y HA 0.285 4.834 4.550 -0.001 0.000 0.334 162 Y C 1.195 177.140 175.900 0.075 0.000 0.969 162 Y CA -0.695 57.494 58.100 0.149 0.000 1.241 162 Y CB 0.323 38.952 38.460 0.282 0.000 1.105 162 Y HN 0.095 nan 8.280 nan 0.000 0.503 163 R N 3.962 124.511 120.500 0.082 0.000 2.343 163 R HA 0.194 4.533 4.340 -0.001 0.000 0.326 163 R C 0.137 176.341 176.300 -0.160 0.000 1.055 163 R CA -0.380 55.712 56.100 -0.014 0.000 0.961 163 R CB 0.498 30.784 30.300 -0.024 0.000 0.978 163 R HN 0.579 nan 8.270 nan 0.000 0.443 164 R N 1.265 121.636 120.500 -0.216 0.000 2.538 164 R HA -0.007 4.332 4.340 -0.001 0.000 0.282 164 R C 1.170 177.320 176.300 -0.250 0.000 1.009 164 R CA 1.013 56.865 56.100 -0.415 0.000 1.063 164 R CB 0.330 30.458 30.300 -0.286 0.000 0.945 164 R HN 1.013 nan 8.270 nan 0.000 0.414 165 G N 1.759 110.392 108.800 -0.280 0.000 2.284 165 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.230 165 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.230 165 G C 0.547 175.353 174.900 -0.156 0.000 1.021 165 G CA -0.249 44.745 45.100 -0.175 0.000 0.619 165 G HN 0.890 nan 8.290 nan 0.000 0.510 166 G N -0.127 108.571 108.800 -0.170 0.000 2.588 166 G HA2 0.559 4.518 3.960 -0.001 0.000 0.281 166 G HA3 0.559 4.518 3.960 -0.001 0.000 0.281 166 G C -0.260 174.547 174.900 -0.156 0.000 1.236 166 G CA -0.164 44.861 45.100 -0.126 0.000 0.969 166 G HN 0.486 nan 8.290 nan 0.000 0.504 167 K N -0.078 120.255 120.400 -0.112 0.000 2.376 167 K HA 0.387 4.707 4.320 -0.001 0.000 0.257 167 K C -0.728 175.803 176.600 -0.115 0.000 0.939 167 K CA -0.673 55.547 56.287 -0.112 0.000 0.809 167 K CB 2.215 34.685 32.500 -0.050 0.000 1.121 167 K HN 0.125 nan 8.250 nan 0.000 0.425 168 I N 1.945 122.409 120.570 -0.178 0.000 2.396 168 I HA 0.262 4.431 4.170 -0.001 0.000 0.292 168 I C 0.755 176.874 176.117 0.004 0.000 0.999 168 I CA -0.419 60.766 61.300 -0.191 0.000 1.310 168 I CB 1.208 38.936 38.000 -0.453 0.000 1.404 168 I HN 0.733 nan 8.210 nan 0.000 0.496 169 G N 7.187 116.078 108.800 0.152 0.000 2.603 169 G HA2 0.563 4.522 3.960 -0.001 0.000 0.324 169 G HA3 0.563 4.522 3.960 -0.001 0.000 0.324 169 G C -0.431 174.720 174.900 0.418 0.000 1.178 169 G CA -0.435 44.883 45.100 0.362 0.000 1.023 169 G HN 0.494 nan 8.290 nan 0.000 0.482 170 L N 3.146 124.466 121.223 0.161 0.000 2.328 170 L HA 0.387 4.726 4.340 -0.001 0.000 0.280 170 L C -0.432 176.452 176.870 0.023 0.000 1.111 170 L CA -0.590 54.358 54.840 0.181 0.000 0.909 170 L CB -0.120 42.031 42.059 0.153 0.000 1.277 170 L HN 0.286 nan 8.230 nan 0.000 0.433 171 F N 1.224 121.236 119.950 0.104 0.000 2.378 171 F HA 0.802 5.328 4.527 -0.001 0.000 0.325 171 F C 1.039 176.871 175.800 0.053 0.000 1.097 171 F CA -0.364 57.670 58.000 0.058 0.000 1.079 171 F CB 1.770 40.818 39.000 0.080 0.000 1.240 171 F HN 0.405 nan 8.300 nan 0.000 0.519 172 G N -0.203 108.662 108.800 0.109 0.000 2.325 172 G HA2 0.461 4.420 3.960 -0.001 0.000 0.297 172 G HA3 0.461 4.420 3.960 -0.001 0.000 0.297 172 G C -0.963 173.864 174.900 -0.122 0.000 1.448 172 G CA -0.358 44.764 45.100 0.037 0.000 0.838 172 G HN 0.912 nan 8.290 nan 0.000 0.579 173 G N -0.833 107.890 108.800 -0.128 0.000 2.543 173 G HA2 0.697 4.656 3.960 -0.001 0.000 0.290 173 G HA3 0.697 4.656 3.960 -0.001 0.000 0.290 173 G C 0.797 175.638 174.900 -0.098 0.000 1.310 173 G CA 0.479 45.423 45.100 -0.261 0.000 1.025 173 G HN 1.899 nan 8.290 nan 0.000 0.502 174 A N -0.700 122.127 122.820 0.011 0.000 2.524 174 A HA 0.509 4.829 4.320 -0.001 0.000 0.271 174 A C 1.311 178.968 177.584 0.121 0.000 1.097 174 A CA 0.980 53.171 52.037 0.256 0.000 0.791 174 A CB -1.179 17.988 19.000 0.278 0.000 1.028 174 A HN 2.567 nan 8.150 nan 0.000 0.518 175 G N 1.118 109.984 108.800 0.110 0.000 2.587 175 G HA2 0.144 4.103 3.960 -0.001 0.000 0.245 175 G HA3 0.144 4.103 3.960 -0.001 0.000 0.245 175 G C 0.216 175.134 174.900 0.030 0.000 0.959 175 G CA 0.349 45.476 45.100 0.045 0.000 1.268 175 G HN 2.305 nan 8.290 nan 0.000 0.448 176 V N -0.792 119.142 119.914 0.033 0.000 3.432 176 V HA 0.711 4.830 4.120 -0.001 0.000 0.290 176 V C 1.531 177.656 176.094 0.051 0.000 1.591 176 V CA 1.068 63.406 62.300 0.063 0.000 1.069 176 V CB 0.298 32.165 31.823 0.073 0.000 0.892 176 V HN 2.673 nan 8.190 nan 0.000 0.436 177 G N 1.383 110.180 108.800 -0.004 0.000 2.145 177 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.176 177 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.176 177 G C 0.524 175.464 174.900 0.068 0.000 1.013 177 G CA 0.410 45.493 45.100 -0.028 0.000 0.689 177 G HN 0.457 nan 8.290 nan 0.000 0.506 178 K N -0.418 120.039 120.400 0.094 0.000 2.025 178 K HA -0.046 4.273 4.320 -0.001 0.000 0.207 178 K C 2.585 179.285 176.600 0.167 0.000 1.049 178 K CA 1.802 58.168 56.287 0.133 0.000 0.933 178 K CB -0.251 32.317 32.500 0.113 0.000 0.714 178 K HN 0.337 nan 8.250 nan 0.000 0.438 179 T N 1.402 116.052 114.554 0.159 0.000 2.708 179 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 179 T C 2.049 176.873 174.700 0.206 0.000 1.037 179 T CA 1.360 63.574 62.100 0.191 0.000 1.146 179 T CB -0.250 68.725 68.868 0.179 0.000 0.865 179 T HN -0.055 nan 8.240 nan 0.000 0.435 180 V N 1.733 121.766 119.914 0.198 0.000 2.568 180 V HA -0.126 3.993 4.120 -0.001 0.000 0.253 180 V C 2.343 178.663 176.094 0.376 0.000 1.072 180 V CA 1.249 63.703 62.300 0.257 0.000 1.084 180 V CB -0.827 31.106 31.823 0.184 0.000 0.676 180 V HN 0.327 nan 8.190 nan 0.000 0.469 181 L N -0.420 121.002 121.223 0.331 0.000 2.179 181 L HA 0.074 4.413 4.340 -0.001 0.000 0.208 181 L C 1.996 179.050 176.870 0.307 0.000 1.096 181 L CA 1.591 56.684 54.840 0.422 0.000 0.779 181 L CB -0.362 41.893 42.059 0.327 0.000 0.922 181 L HN 0.246 nan 8.230 nan 0.000 0.443 182 I N -0.936 119.783 120.570 0.248 0.000 2.928 182 I HA -0.099 4.070 4.170 -0.001 0.000 0.266 182 I C 1.823 177.975 176.117 0.058 0.000 1.234 182 I CA 0.919 62.340 61.300 0.202 0.000 1.483 182 I CB -0.093 38.074 38.000 0.278 0.000 1.097 182 I HN 0.214 nan 8.210 nan 0.000 0.455 183 M N -0.596 119.061 119.600 0.095 0.000 2.191 183 M HA -0.021 4.458 4.480 -0.001 0.000 0.262 183 M C 2.223 178.515 176.300 -0.013 0.000 1.083 183 M CA 1.216 56.528 55.300 0.019 0.000 1.154 183 M CB -1.536 31.114 32.600 0.084 0.000 1.344 183 M HN 0.112 nan 8.290 nan 0.000 0.431 184 E N 0.882 121.114 120.200 0.054 0.000 2.171 184 E HA -0.142 4.207 4.350 -0.001 0.000 0.197 184 E C 1.990 178.499 176.600 -0.151 0.000 0.997 184 E CA 1.160 57.498 56.400 -0.104 0.000 0.810 184 E CB -0.290 29.127 29.700 -0.473 0.000 0.738 184 E HN 0.472 nan 8.360 nan 0.000 0.467 185 L N -0.222 120.951 121.223 -0.083 0.000 2.156 185 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 185 L C 2.231 179.009 176.870 -0.154 0.000 1.095 185 L CA 0.731 55.537 54.840 -0.056 0.000 0.770 185 L CB -0.232 41.906 42.059 0.131 0.000 0.914 185 L HN 0.219 nan 8.230 nan 0.000 0.439 186 I N -0.565 119.827 120.570 -0.296 0.000 2.546 186 I HA -0.228 3.941 4.170 -0.001 0.000 0.255 186 I C 2.162 178.177 176.117 -0.170 0.000 1.163 186 I CA 1.121 62.215 61.300 -0.344 0.000 1.457 186 I CB -0.342 37.411 38.000 -0.411 0.000 1.092 186 I HN 0.365 nan 8.210 nan 0.000 0.434 187 N N 1.069 119.680 118.700 -0.149 0.000 2.124 187 N HA -0.145 4.595 4.740 -0.001 0.000 0.188 187 N C 1.617 177.013 175.510 -0.189 0.000 1.045 187 N CA 1.183 54.159 53.050 -0.124 0.000 0.846 187 N CB 0.110 38.547 38.487 -0.082 0.000 1.020 187 N HN 0.164 nan 8.380 nan 0.000 0.432 188 N N 0.061 118.607 118.700 -0.256 0.000 2.223 188 N HA -0.038 4.701 4.740 -0.001 0.000 0.185 188 N C 1.160 176.462 175.510 -0.346 0.000 1.016 188 N CA 1.098 53.892 53.050 -0.426 0.000 0.863 188 N CB 0.156 38.383 38.487 -0.433 0.000 0.983 188 N HN 0.413 nan 8.380 nan 0.000 0.429 189 I N -1.858 118.584 120.570 -0.213 0.000 4.033 189 I HA 0.247 4.416 4.170 -0.001 0.000 0.296 189 I C 1.827 177.939 176.117 -0.008 0.000 1.210 189 I CA 0.163 61.363 61.300 -0.166 0.000 1.341 189 I CB -0.037 37.861 38.000 -0.169 0.000 1.369 189 I HN -0.030 nan 8.210 nan 0.000 0.453 190 A N 1.555 124.400 122.820 0.041 0.000 1.898 190 A HA -0.083 4.236 4.320 -0.001 0.000 0.214 190 A C 2.192 179.832 177.584 0.092 0.000 1.183 190 A CA 1.297 53.421 52.037 0.146 0.000 0.622 190 A CB -0.333 18.726 19.000 0.098 0.000 0.824 190 A HN 0.235 nan 8.150 nan 0.000 0.444 191 K N -0.358 120.042 120.400 0.001 0.000 2.283 191 K HA 0.026 4.346 4.320 -0.001 0.000 0.202 191 K C 1.598 178.191 176.600 -0.013 0.000 1.048 191 K CA 0.993 57.273 56.287 -0.013 0.000 0.948 191 K CB -0.128 32.347 32.500 -0.041 0.000 0.742 191 K HN 0.437 nan 8.250 nan 0.000 0.458 192 A N 0.320 123.128 122.820 -0.020 0.000 2.343 192 A HA 0.017 4.336 4.320 -0.001 0.000 0.223 192 A C 0.134 177.726 177.584 0.014 0.000 1.214 192 A CA -0.204 51.812 52.037 -0.035 0.000 0.900 192 A CB -0.176 18.764 19.000 -0.100 0.000 0.942 192 A HN 0.242 nan 8.150 nan 0.000 0.507 193 H N 0.384 119.435 119.070 -0.033 0.000 2.848 193 H HA 0.385 4.941 4.556 -0.001 0.000 0.341 193 H C 0.987 176.321 175.328 0.009 0.000 1.060 193 H CA 0.221 56.272 56.048 0.005 0.000 1.444 193 H CB 0.914 30.726 29.762 0.082 0.000 1.446 193 H HN 0.047 nan 8.280 nan 0.000 0.583 194 G N 3.525 112.037 108.800 -0.479 0.000 3.717 194 G HA2 0.494 4.453 3.960 -0.001 0.000 0.258 194 G HA3 0.494 4.453 3.960 -0.001 0.000 0.258 194 G C 0.127 174.689 174.900 -0.564 0.000 1.088 194 G CA 0.300 45.166 45.100 -0.390 0.000 1.737 194 G HN 0.894 nan 8.290 nan 0.000 0.648 195 G N -1.020 107.395 108.800 -0.643 0.000 2.489 195 G HA2 0.461 4.420 3.960 -0.001 0.000 0.305 195 G HA3 0.461 4.420 3.960 -0.001 0.000 0.305 195 G C -1.295 173.547 174.900 -0.098 0.000 1.311 195 G CA -0.515 44.379 45.100 -0.344 0.000 0.813 195 G HN 0.334 nan 8.290 nan 0.000 0.480 196 V N 0.105 119.980 119.914 -0.065 0.000 2.785 196 V HA 0.722 4.841 4.120 -0.001 0.000 0.300 196 V C 0.552 176.689 176.094 0.071 0.000 1.062 196 V CA -0.220 61.995 62.300 -0.142 0.000 1.029 196 V CB 1.446 32.896 31.823 -0.621 0.000 1.024 196 V HN 0.819 nan 8.190 nan 0.000 0.477 197 S N 1.595 117.354 115.700 0.098 0.000 2.595 197 S HA 0.844 5.313 4.470 -0.001 0.000 0.281 197 S C -1.329 173.408 174.600 0.229 0.000 1.117 197 S CA -0.468 57.855 58.200 0.206 0.000 0.873 197 S CB 1.924 65.332 63.200 0.346 0.000 1.108 197 S HN 0.470 nan 8.310 nan 0.000 0.477 198 V N 3.324 123.384 119.914 0.243 0.000 2.760 198 V HA 0.578 4.697 4.120 -0.001 0.000 0.309 198 V C -1.344 174.933 176.094 0.304 0.000 1.077 198 V CA -0.722 61.727 62.300 0.248 0.000 0.910 198 V CB 1.730 33.659 31.823 0.177 0.000 1.008 198 V HN 0.829 nan 8.190 nan 0.000 0.424 199 F N 3.000 123.020 119.950 0.117 0.000 2.449 199 F HA 0.832 5.358 4.527 -0.001 0.000 0.342 199 F C 0.496 176.237 175.800 -0.098 0.000 1.127 199 F CA -0.357 57.689 58.000 0.076 0.000 0.975 199 F CB 1.502 40.542 39.000 0.067 0.000 1.146 199 F HN 0.602 nan 8.300 nan 0.000 0.444 200 G N 2.822 111.327 108.800 -0.493 0.000 2.367 200 G HA2 0.464 4.423 3.960 -0.001 0.000 0.314 200 G HA3 0.464 4.423 3.960 -0.001 0.000 0.314 200 G C -0.327 174.207 174.900 -0.611 0.000 1.130 200 G CA -0.739 44.109 45.100 -0.420 0.000 0.864 200 G HN 1.045 nan 8.290 nan 0.000 0.486 201 G N 0.523 109.138 108.800 -0.309 0.000 3.288 201 G HA2 0.423 4.382 3.960 -0.001 0.000 0.337 201 G HA3 0.423 4.382 3.960 -0.001 0.000 0.337 201 G C -0.407 174.511 174.900 0.030 0.000 1.142 201 G CA -0.241 44.847 45.100 -0.019 0.000 1.304 201 G HN 0.598 nan 8.290 nan 0.000 0.475 202 V N 2.214 122.106 119.914 -0.037 0.000 2.353 202 V HA 0.483 4.602 4.120 -0.001 0.000 0.264 202 V C 1.321 177.441 176.094 0.043 0.000 1.049 202 V CA 0.474 62.772 62.300 -0.004 0.000 0.896 202 V CB 0.610 32.410 31.823 -0.039 0.000 1.025 202 V HN 1.071 nan 8.190 nan 0.000 0.475 203 G N 3.907 112.738 108.800 0.052 0.000 2.395 203 G HA2 -0.188 3.771 3.960 -0.001 0.000 0.300 203 G HA3 -0.188 3.771 3.960 -0.001 0.000 0.300 203 G C 0.035 174.970 174.900 0.059 0.000 0.998 203 G CA 0.287 45.413 45.100 0.042 0.000 1.046 203 G HN 0.601 nan 8.290 nan 0.000 0.513 204 E N -0.858 119.398 120.200 0.094 0.000 2.404 204 E HA 0.438 4.787 4.350 -0.001 0.000 0.264 204 E C 0.941 177.591 176.600 0.083 0.000 0.946 204 E CA -1.017 55.443 56.400 0.099 0.000 0.806 204 E CB 0.887 30.679 29.700 0.153 0.000 1.334 204 E HN 0.450 nan 8.360 nan 0.000 0.429 205 R N -0.148 120.396 120.500 0.073 0.000 2.811 205 R HA 0.131 4.470 4.340 -0.001 0.000 0.265 205 R C 1.025 177.335 176.300 0.016 0.000 1.026 205 R CA 0.160 56.284 56.100 0.041 0.000 1.142 205 R CB 0.045 30.371 30.300 0.044 0.000 1.027 205 R HN 0.415 nan 8.270 nan 0.000 0.465 206 T N 1.348 115.885 114.554 -0.028 0.000 2.894 206 T HA -0.030 4.320 4.350 -0.001 0.000 0.258 206 T C 1.796 176.435 174.700 -0.102 0.000 1.043 206 T CA 0.713 62.753 62.100 -0.101 0.000 1.141 206 T CB 0.018 68.833 68.868 -0.087 0.000 0.873 206 T HN 0.450 nan 8.240 nan 0.000 0.449 207 R N 1.348 121.825 120.500 -0.039 0.000 2.171 207 R HA -0.202 4.137 4.340 -0.001 0.000 0.232 207 R C 2.316 178.612 176.300 -0.007 0.000 1.116 207 R CA 2.082 58.173 56.100 -0.015 0.000 0.901 207 R CB -0.599 29.711 30.300 0.016 0.000 0.850 207 R HN 0.536 nan 8.270 nan 0.000 0.431 208 E N -0.599 119.621 120.200 0.033 0.000 2.279 208 E HA -0.239 4.110 4.350 -0.001 0.000 0.205 208 E C 1.923 178.556 176.600 0.054 0.000 1.028 208 E CA 1.251 57.695 56.400 0.074 0.000 0.830 208 E CB -0.271 29.515 29.700 0.143 0.000 0.736 208 E HN 0.601 nan 8.360 nan 0.000 0.478 209 G N 1.074 109.830 108.800 -0.074 0.000 2.439 209 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.212 209 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.212 209 G C 1.343 176.155 174.900 -0.145 0.000 1.199 209 G CA 0.679 45.597 45.100 -0.302 0.000 0.807 209 G HN 0.206 nan 8.290 nan 0.000 0.537 210 N N 1.326 119.944 118.700 -0.137 0.000 2.060 210 N HA -0.163 4.576 4.740 -0.001 0.000 0.195 210 N C 1.667 177.210 175.510 0.054 0.000 1.028 210 N CA 2.123 55.159 53.050 -0.024 0.000 0.861 210 N CB -0.323 38.146 38.487 -0.030 0.000 1.029 210 N HN 0.226 nan 8.380 nan 0.000 0.428 211 D N 0.142 120.557 120.400 0.025 0.000 2.137 211 D HA -0.187 4.452 4.640 -0.001 0.000 0.193 211 D C 1.946 178.267 176.300 0.036 0.000 0.993 211 D CA 1.247 55.263 54.000 0.027 0.000 0.846 211 D CB -0.901 39.912 40.800 0.022 0.000 0.990 211 D HN 0.314 nan 8.370 nan 0.000 0.448 212 L N -0.028 121.209 121.223 0.023 0.000 2.357 212 L HA -0.217 4.122 4.340 -0.001 0.000 0.220 212 L C 1.924 178.824 176.870 0.050 0.000 1.123 212 L CA 1.387 56.212 54.840 -0.025 0.000 0.782 212 L CB -0.397 41.576 42.059 -0.144 0.000 0.910 212 L HN 0.080 nan 8.230 nan 0.000 0.442 213 Y N -0.657 119.623 120.300 -0.033 0.000 2.186 213 Y HA -0.015 4.534 4.550 -0.001 0.000 0.286 213 Y C 2.324 178.211 175.900 -0.021 0.000 1.109 213 Y CA 1.586 59.680 58.100 -0.009 0.000 1.099 213 Y CB -0.328 38.137 38.460 0.008 0.000 1.030 213 Y HN 0.045 nan 8.280 nan 0.000 0.495 214 M N 0.263 119.871 119.600 0.014 0.000 2.521 214 M HA -0.207 4.272 4.480 -0.001 0.000 0.260 214 M C 1.249 177.497 176.300 -0.085 0.000 1.068 214 M CA 1.597 56.840 55.300 -0.096 0.000 1.060 214 M CB -0.296 32.295 32.600 -0.016 0.000 1.398 214 M HN 0.355 nan 8.290 nan 0.000 0.473 215 E N -0.073 120.094 120.200 -0.055 0.000 2.127 215 E HA 0.066 4.415 4.350 -0.001 0.000 0.191 215 E C 1.840 178.399 176.600 -0.070 0.000 0.964 215 E CA 0.703 57.072 56.400 -0.052 0.000 0.832 215 E CB 0.156 29.835 29.700 -0.035 0.000 0.790 215 E HN 0.306 nan 8.360 nan 0.000 0.465 216 M N 0.344 119.897 119.600 -0.079 0.000 2.557 216 M HA -0.042 4.437 4.480 -0.001 0.000 0.259 216 M C 1.538 177.770 176.300 -0.112 0.000 1.086 216 M CA 1.028 56.281 55.300 -0.079 0.000 1.096 216 M CB -0.156 32.413 32.600 -0.051 0.000 1.424 216 M HN 0.018 nan 8.290 nan 0.000 0.488 217 K N 0.004 120.301 120.400 -0.172 0.000 2.044 217 K HA -0.068 4.251 4.320 -0.001 0.000 0.204 217 K C 1.867 178.398 176.600 -0.116 0.000 1.045 217 K CA 0.638 56.809 56.287 -0.194 0.000 0.951 217 K CB 0.207 32.526 32.500 -0.302 0.000 0.738 217 K HN 0.125 nan 8.250 nan 0.000 0.443 218 E N 0.786 120.928 120.200 -0.096 0.000 2.085 218 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 218 E C 1.772 178.341 176.600 -0.051 0.000 0.994 218 E CA 1.605 57.966 56.400 -0.065 0.000 0.801 218 E CB -0.175 29.494 29.700 -0.052 0.000 0.743 218 E HN 0.277 nan 8.360 nan 0.000 0.453 219 S N -0.672 114.998 115.700 -0.050 0.000 2.660 219 S HA 0.162 4.631 4.470 -0.001 0.000 0.223 219 S C 1.472 176.049 174.600 -0.038 0.000 0.963 219 S CA 0.570 58.748 58.200 -0.037 0.000 0.932 219 S CB -0.105 63.075 63.200 -0.033 0.000 0.775 219 S HN 0.305 nan 8.310 nan 0.000 0.531 220 G N 0.892 109.663 108.800 -0.049 0.000 2.258 220 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.274 220 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.274 220 G C 0.549 175.427 174.900 -0.037 0.000 1.021 220 G CA 0.375 45.447 45.100 -0.046 0.000 0.798 220 G HN 0.696 nan 8.290 nan 0.000 0.507 221 V N -0.556 119.336 119.914 -0.037 0.000 3.141 221 V HA 0.101 4.220 4.120 -0.001 0.000 0.265 221 V C 1.746 177.833 176.094 -0.012 0.000 1.126 221 V CA 1.005 63.293 62.300 -0.019 0.000 1.141 221 V CB -0.502 31.312 31.823 -0.015 0.000 0.743 221 V HN 0.477 nan 8.190 nan 0.000 0.492 222 I N -0.631 119.919 120.570 -0.034 0.000 3.573 222 I HA 0.361 4.530 4.170 -0.001 0.000 0.285 222 I C 0.091 176.191 176.117 -0.028 0.000 1.203 222 I CA -0.854 60.431 61.300 -0.025 0.000 1.033 222 I CB 0.623 38.577 38.000 -0.077 0.000 1.348 222 I HN 0.143 nan 8.210 nan 0.000 0.525 223 N N 2.182 120.871 118.700 -0.019 0.000 2.415 223 N HA 0.100 4.839 4.740 -0.001 0.000 0.250 223 N C 0.707 176.199 175.510 -0.030 0.000 1.127 223 N CA 0.031 53.072 53.050 -0.014 0.000 0.945 223 N CB 1.013 39.502 38.487 0.004 0.000 1.196 223 N HN 0.474 nan 8.380 nan 0.000 0.499 224 E N 1.232 121.413 120.200 -0.032 0.000 2.110 224 E HA -0.115 4.234 4.350 -0.001 0.000 0.193 224 E C -0.033 176.552 176.600 -0.024 0.000 0.988 224 E CA 1.134 57.513 56.400 -0.035 0.000 0.804 224 E CB 0.343 30.024 29.700 -0.032 0.000 0.745 224 E HN 0.598 nan 8.360 nan 0.000 0.458 225 Q N -0.794 118.997 119.800 -0.016 0.000 2.495 225 Q HA 0.293 4.632 4.340 -0.001 0.000 0.287 225 Q C -0.590 175.408 176.000 -0.004 0.000 1.078 225 Q CA -0.710 55.088 55.803 -0.009 0.000 0.793 225 Q CB 1.142 29.875 28.738 -0.008 0.000 1.459 225 Q HN -0.073 nan 8.270 nan 0.000 0.422 226 N N 1.153 119.853 118.700 0.001 0.000 2.530 226 N HA 0.057 4.796 4.740 -0.001 0.000 0.216 226 N C 0.490 176.005 175.510 0.008 0.000 1.315 226 N CA 0.415 53.469 53.050 0.007 0.000 0.858 226 N CB 0.054 38.546 38.487 0.009 0.000 1.138 226 N HN 0.537 nan 8.380 nan 0.000 0.473 227 I N 0.296 120.869 120.570 0.004 0.000 3.291 227 I HA -0.061 4.108 4.170 -0.001 0.000 0.279 227 I C 0.839 176.961 176.117 0.008 0.000 1.294 227 I CA -0.013 61.289 61.300 0.005 0.000 1.428 227 I CB -0.295 37.705 38.000 0.000 0.000 1.070 227 I HN 0.068 nan 8.210 nan 0.000 0.478 228 A N 1.934 124.760 122.820 0.011 0.000 2.362 228 A HA -0.234 4.085 4.320 -0.001 0.000 0.290 228 A C 0.700 178.292 177.584 0.012 0.000 1.441 228 A CA 0.889 52.937 52.037 0.017 0.000 0.743 228 A CB -1.904 17.112 19.000 0.027 0.000 1.125 228 A HN 0.664 nan 8.150 nan 0.000 0.378 229 E N 0.363 120.566 120.200 0.004 0.000 2.496 229 E HA 0.169 4.518 4.350 -0.001 0.000 0.200 229 E C 0.337 176.934 176.600 -0.005 0.000 1.016 229 E CA 0.114 56.512 56.400 -0.003 0.000 0.962 229 E CB 0.435 30.130 29.700 -0.008 0.000 1.071 229 E HN 0.674 nan 8.360 nan 0.000 0.457 230 S N 1.075 116.778 115.700 0.005 0.000 2.579 230 S HA 0.138 4.607 4.470 -0.001 0.000 0.275 230 S C 0.700 175.297 174.600 -0.006 0.000 1.345 230 S CA 0.127 58.333 58.200 0.010 0.000 1.031 230 S CB 0.649 63.869 63.200 0.034 0.000 0.892 230 S HN 0.181 nan 8.310 nan 0.000 0.529 231 K N 1.057 121.457 120.400 -0.000 0.000 2.826 231 K HA 0.401 4.720 4.320 -0.001 0.000 0.206 231 K C -1.327 175.285 176.600 0.020 0.000 1.116 231 K CA -0.025 56.246 56.287 -0.026 0.000 1.045 231 K CB 0.883 33.371 32.500 -0.021 0.000 0.758 231 K HN 0.228 nan 8.250 nan 0.000 0.465 232 V N 0.725 120.672 119.914 0.056 0.000 2.932 232 V HA 0.666 4.785 4.120 -0.001 0.000 0.307 232 V C -1.480 174.719 176.094 0.174 0.000 1.147 232 V CA -1.004 61.372 62.300 0.126 0.000 0.951 232 V CB 2.087 33.990 31.823 0.134 0.000 1.031 232 V HN 0.255 nan 8.190 nan 0.000 0.426 233 A N 4.982 127.942 122.820 0.234 0.000 2.353 233 A HA 0.899 5.218 4.320 -0.001 0.000 0.299 233 A C -1.336 176.412 177.584 0.274 0.000 1.089 233 A CA -0.411 51.802 52.037 0.295 0.000 0.736 233 A CB 1.052 20.252 19.000 0.332 0.000 1.195 233 A HN 0.739 nan 8.150 nan 0.000 0.447 234 L N 2.520 123.925 121.223 0.303 0.000 2.329 234 L HA 0.714 5.053 4.340 -0.001 0.000 0.279 234 L C -0.945 176.092 176.870 0.278 0.000 1.014 234 L CA -0.951 54.022 54.840 0.221 0.000 0.814 234 L CB 2.078 44.244 42.059 0.179 0.000 1.257 234 L HN 0.445 nan 8.230 nan 0.000 0.424 235 V N 2.816 122.792 119.914 0.103 0.000 2.524 235 V HA 0.353 4.473 4.120 -0.001 0.000 0.297 235 V C -1.384 174.721 176.094 0.017 0.000 1.035 235 V CA -0.645 61.735 62.300 0.133 0.000 0.867 235 V CB 1.575 33.433 31.823 0.057 0.000 1.004 235 V HN 0.410 nan 8.190 nan 0.000 0.426 236 Y N 2.269 122.639 120.300 0.116 0.000 2.326 236 Y HA 0.722 5.271 4.550 -0.001 0.000 0.331 236 Y C 0.679 176.608 175.900 0.049 0.000 0.962 236 Y CA -0.762 57.391 58.100 0.088 0.000 1.167 236 Y CB 2.443 40.946 38.460 0.072 0.000 1.148 236 Y HN 0.701 nan 8.280 nan 0.000 0.463 237 G N 4.809 113.744 108.800 0.226 0.000 3.039 237 G HA2 0.363 4.322 3.960 -0.001 0.000 0.329 237 G HA3 0.363 4.322 3.960 -0.001 0.000 0.329 237 G C -0.560 174.416 174.900 0.127 0.000 1.361 237 G CA -0.520 44.655 45.100 0.126 0.000 1.088 237 G HN 0.343 nan 8.290 nan 0.000 0.501 238 Q N 1.465 121.329 119.800 0.108 0.000 2.272 238 Q HA 0.332 4.671 4.340 -0.001 0.000 0.192 238 Q C 2.001 178.027 176.000 0.044 0.000 1.059 238 Q CA -0.699 55.154 55.803 0.084 0.000 1.084 238 Q CB 0.691 29.451 28.738 0.037 0.000 1.139 238 Q HN 0.553 nan 8.270 nan 0.000 0.593 239 M N 0.809 120.429 119.600 0.034 0.000 3.267 239 M HA -0.392 4.087 4.480 -0.001 0.000 0.277 239 M C 1.760 178.064 176.300 0.007 0.000 1.045 239 M CA 2.628 57.937 55.300 0.015 0.000 1.055 239 M CB -1.232 31.373 32.600 0.009 0.000 1.224 239 M HN 0.766 nan 8.290 nan 0.000 0.557 240 N N -0.174 118.529 118.700 0.004 0.000 2.165 240 N HA -0.188 4.551 4.740 -0.001 0.000 0.198 240 N C 0.178 175.689 175.510 0.001 0.000 0.999 240 N CA 0.852 53.902 53.050 -0.000 0.000 0.893 240 N CB -0.792 37.693 38.487 -0.003 0.000 1.025 240 N HN 0.393 nan 8.380 nan 0.000 0.456 241 E N 2.059 122.263 120.200 0.007 0.000 2.459 241 E HA 0.074 4.423 4.350 -0.001 0.000 0.264 241 E C -1.857 174.744 176.600 0.001 0.000 1.055 241 E CA -0.999 55.406 56.400 0.008 0.000 0.957 241 E CB 0.038 29.749 29.700 0.017 0.000 0.952 241 E HN 0.271 nan 8.360 nan 0.000 0.448 242 P HA -0.012 nan 4.420 nan 0.000 0.272 242 P C -1.743 175.552 177.300 -0.008 0.000 1.254 242 P CA -0.699 62.398 63.100 -0.005 0.000 0.795 242 P CB -0.066 31.632 31.700 -0.003 0.000 1.022 243 P HA -0.107 nan 4.420 nan 0.000 0.218 243 P C 1.152 178.441 177.300 -0.018 0.000 1.149 243 P CA 1.663 64.749 63.100 -0.024 0.000 0.817 243 P CB -0.501 31.180 31.700 -0.032 0.000 0.785 244 G N -0.753 108.039 108.800 -0.013 0.000 3.262 244 G HA2 0.192 4.151 3.960 -0.001 0.000 0.222 244 G HA3 0.192 4.151 3.960 -0.001 0.000 0.222 244 G C 1.105 176.004 174.900 -0.001 0.000 1.269 244 G CA 0.582 45.676 45.100 -0.009 0.000 1.032 244 G HN 0.413 nan 8.290 nan 0.000 0.502 245 A N 0.371 123.194 122.820 0.005 0.000 1.971 245 A HA 0.341 4.660 4.320 -0.001 0.000 0.200 245 A C 2.067 179.664 177.584 0.022 0.000 1.658 245 A CA 0.063 52.107 52.037 0.012 0.000 0.962 245 A CB 0.188 19.196 19.000 0.014 0.000 1.053 245 A HN 0.190 nan 8.150 nan 0.000 0.533 246 R N 0.149 120.665 120.500 0.025 0.000 2.316 246 R HA 0.220 4.559 4.340 -0.001 0.000 0.202 246 R C 1.492 177.866 176.300 0.124 0.000 1.029 246 R CA 0.740 56.868 56.100 0.047 0.000 1.018 246 R CB -0.380 29.936 30.300 0.027 0.000 0.888 246 R HN 0.497 nan 8.270 nan 0.000 0.471 247 M N -0.457 119.204 119.600 0.102 0.000 2.556 247 M HA 0.084 4.563 4.480 -0.001 0.000 0.245 247 M C 0.826 177.256 176.300 0.216 0.000 1.128 247 M CA 1.033 56.446 55.300 0.188 0.000 1.069 247 M CB 0.443 33.066 32.600 0.039 0.000 1.469 247 M HN 0.041 nan 8.290 nan 0.000 0.494 248 R N -0.957 119.589 120.500 0.077 0.000 2.551 248 R HA 0.093 4.432 4.340 -0.001 0.000 0.316 248 R C 1.684 177.937 176.300 -0.078 0.000 0.934 248 R CA 0.378 56.467 56.100 -0.018 0.000 1.117 248 R CB 0.205 30.481 30.300 -0.040 0.000 1.626 248 R HN 0.314 nan 8.270 nan 0.000 0.513 249 V N -1.093 118.790 119.914 -0.052 0.000 2.809 249 V HA 0.103 4.222 4.120 -0.001 0.000 0.256 249 V C 1.697 177.708 176.094 -0.139 0.000 1.080 249 V CA 2.105 64.364 62.300 -0.070 0.000 1.102 249 V CB -0.510 31.299 31.823 -0.023 0.000 0.705 249 V HN 0.205 nan 8.190 nan 0.000 0.475 250 G N 0.086 108.768 108.800 -0.196 0.000 2.484 250 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.218 250 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.218 250 G C 1.450 176.157 174.900 -0.320 0.000 1.130 250 G CA 0.841 45.747 45.100 -0.324 0.000 0.784 250 G HN 0.548 nan 8.290 nan 0.000 0.543 251 L N 0.061 121.122 121.223 -0.269 0.000 2.477 251 L HA 0.091 4.430 4.340 -0.001 0.000 0.220 251 L C 2.822 179.562 176.870 -0.215 0.000 1.106 251 L CA 0.487 55.176 54.840 -0.251 0.000 0.851 251 L CB 0.038 41.939 42.059 -0.263 0.000 0.994 251 L HN 0.122 nan 8.230 nan 0.000 0.462 252 T N -0.126 114.317 114.554 -0.185 0.000 2.781 252 T HA -0.035 4.314 4.350 -0.001 0.000 0.252 252 T C 2.073 176.664 174.700 -0.181 0.000 1.039 252 T CA 1.144 63.138 62.100 -0.176 0.000 1.147 252 T CB -0.088 68.697 68.868 -0.139 0.000 0.865 252 T HN 0.359 nan 8.240 nan 0.000 0.423 253 A N 1.328 124.054 122.820 -0.157 0.000 1.940 253 A HA -0.134 4.185 4.320 -0.001 0.000 0.221 253 A C 2.202 179.702 177.584 -0.139 0.000 1.190 253 A CA 1.668 53.623 52.037 -0.136 0.000 0.647 253 A CB -0.841 18.072 19.000 -0.145 0.000 0.821 253 A HN 0.413 nan 8.150 nan 0.000 0.457 254 L N -1.095 120.028 121.223 -0.166 0.000 2.240 254 L HA 0.017 4.356 4.340 -0.001 0.000 0.211 254 L C 2.352 179.137 176.870 -0.142 0.000 1.106 254 L CA 2.410 57.158 54.840 -0.153 0.000 0.793 254 L CB -0.700 41.251 42.059 -0.181 0.000 0.927 254 L HN 0.321 nan 8.230 nan 0.000 0.446 255 T N -0.677 113.779 114.554 -0.163 0.000 2.857 255 T HA -0.128 4.221 4.350 -0.001 0.000 0.266 255 T C 1.824 176.416 174.700 -0.179 0.000 1.048 255 T CA 1.725 63.732 62.100 -0.154 0.000 1.139 255 T CB -0.140 68.629 68.868 -0.166 0.000 0.874 255 T HN 0.263 nan 8.240 nan 0.000 0.455 256 M N 0.526 119.991 119.600 -0.225 0.000 2.394 256 M HA 0.099 4.578 4.480 -0.001 0.000 0.264 256 M C 2.389 178.503 176.300 -0.309 0.000 1.073 256 M CA 0.787 55.895 55.300 -0.320 0.000 1.111 256 M CB -0.064 32.353 32.600 -0.304 0.000 1.401 256 M HN 0.266 nan 8.290 nan 0.000 0.448 257 A N 0.283 123.020 122.820 -0.139 0.000 2.030 257 A HA -0.072 4.247 4.320 -0.001 0.000 0.215 257 A C 1.684 179.250 177.584 -0.030 0.000 1.164 257 A CA 0.779 52.806 52.037 -0.018 0.000 0.697 257 A CB -0.507 18.491 19.000 -0.003 0.000 0.827 257 A HN 0.618 nan 8.150 nan 0.000 0.457 258 E N -1.852 118.305 120.200 -0.072 0.000 2.416 258 E HA -0.033 4.316 4.350 -0.001 0.000 0.189 258 E C 0.970 177.544 176.600 -0.042 0.000 1.091 258 E CA 0.266 56.635 56.400 -0.052 0.000 0.889 258 E CB -0.269 29.394 29.700 -0.062 0.000 1.015 258 E HN 0.757 nan 8.360 nan 0.000 0.479 259 Y N -0.310 119.851 120.300 -0.231 0.000 2.576 259 Y HA 0.133 4.682 4.550 -0.001 0.000 0.282 259 Y C 1.205 177.017 175.900 -0.146 0.000 1.139 259 Y CA 0.110 58.055 58.100 -0.258 0.000 1.265 259 Y CB 0.161 38.356 38.460 -0.441 0.000 1.376 259 Y HN -0.050 nan 8.280 nan 0.000 0.511 260 F N 1.231 121.304 119.950 0.206 0.000 2.408 260 F HA -0.062 4.464 4.527 -0.001 0.000 0.300 260 F C 2.500 178.305 175.800 0.009 0.000 1.090 260 F CA 1.360 59.429 58.000 0.115 0.000 1.427 260 F CB -0.673 38.401 39.000 0.123 0.000 1.070 260 F HN 0.097 nan 8.300 nan 0.000 0.549 261 R N 0.221 120.796 120.500 0.124 0.000 2.100 261 R HA -0.074 4.266 4.340 -0.001 0.000 0.220 261 R C 0.970 177.262 176.300 -0.014 0.000 1.091 261 R CA 1.699 57.827 56.100 0.047 0.000 0.986 261 R CB 0.013 30.322 30.300 0.014 0.000 0.888 261 R HN 0.161 nan 8.270 nan 0.000 0.444 262 D N -0.959 119.397 120.400 -0.073 0.000 2.473 262 D HA 0.027 4.667 4.640 -0.001 0.000 0.230 262 D C 1.692 177.892 176.300 -0.167 0.000 1.097 262 D CA 0.283 54.222 54.000 -0.101 0.000 0.861 262 D CB 0.541 41.284 40.800 -0.096 0.000 1.114 262 D HN 0.054 nan 8.370 nan 0.000 0.500 263 V N 1.715 121.442 119.914 -0.311 0.000 2.535 263 V HA -0.020 4.099 4.120 -0.001 0.000 0.246 263 V C 1.000 176.954 176.094 -0.233 0.000 1.045 263 V CA 1.065 63.111 62.300 -0.423 0.000 1.058 263 V CB -0.164 31.026 31.823 -1.054 0.000 0.689 263 V HN 0.135 nan 8.190 nan 0.000 0.461 264 N N -0.272 118.357 118.700 -0.118 0.000 2.328 264 N HA 0.135 4.874 4.740 -0.001 0.000 0.247 264 N C 0.287 175.810 175.510 0.022 0.000 1.165 264 N CA -0.062 52.997 53.050 0.015 0.000 0.873 264 N CB 0.411 38.986 38.487 0.148 0.000 1.125 264 N HN 0.478 nan 8.380 nan 0.000 0.513 265 E N 0.529 120.722 120.200 -0.012 0.000 2.449 265 E HA -0.279 4.070 4.350 -0.001 0.000 0.244 265 E C -0.327 176.285 176.600 0.020 0.000 1.306 265 E CA 0.812 57.209 56.400 -0.004 0.000 0.712 265 E CB -0.788 28.905 29.700 -0.012 0.000 1.239 265 E HN 0.569 nan 8.360 nan 0.000 0.400 266 Q N 0.092 119.924 119.800 0.053 0.000 2.318 266 Q HA 0.243 4.582 4.340 -0.001 0.000 0.222 266 Q C -0.415 175.629 176.000 0.073 0.000 1.003 266 Q CA -0.218 55.620 55.803 0.058 0.000 0.936 266 Q CB 0.567 29.345 28.738 0.068 0.000 1.204 266 Q HN 0.009 nan 8.270 nan 0.000 0.524 267 D N 0.923 121.372 120.400 0.082 0.000 2.454 267 D HA 0.278 4.917 4.640 -0.001 0.000 0.225 267 D C -1.075 175.353 176.300 0.214 0.000 1.081 267 D CA -0.114 53.962 54.000 0.126 0.000 0.864 267 D CB 1.083 41.977 40.800 0.156 0.000 1.040 267 D HN 0.100 nan 8.370 nan 0.000 0.517 268 V N 2.493 122.489 119.914 0.137 0.000 2.612 268 V HA 0.449 4.568 4.120 -0.001 0.000 0.301 268 V C 0.297 176.393 176.094 0.003 0.000 1.046 268 V CA -0.943 61.435 62.300 0.130 0.000 0.946 268 V CB 1.708 33.634 31.823 0.172 0.000 1.003 268 V HN 0.352 nan 8.190 nan 0.000 0.459 269 L N 3.527 124.715 121.223 -0.058 0.000 2.331 269 L HA 0.591 4.930 4.340 -0.001 0.000 0.275 269 L C -0.871 175.792 176.870 -0.344 0.000 1.022 269 L CA -0.675 53.976 54.840 -0.314 0.000 0.812 269 L CB 1.875 43.655 42.059 -0.464 0.000 1.257 269 L HN 0.489 nan 8.230 nan 0.000 0.435 270 L N 2.771 123.701 121.223 -0.487 0.000 2.401 270 L HA 0.440 4.779 4.340 -0.001 0.000 0.263 270 L C -1.132 175.513 176.870 -0.376 0.000 1.004 270 L CA 0.040 54.691 54.840 -0.314 0.000 0.881 270 L CB 0.694 42.627 42.059 -0.209 0.000 1.219 270 L HN 0.179 nan 8.230 nan 0.000 0.441 271 F N 5.735 125.687 119.950 0.004 0.000 2.368 271 F HA 0.418 4.945 4.527 -0.001 0.000 0.362 271 F C 0.386 176.014 175.800 -0.287 0.000 1.137 271 F CA -0.335 57.666 58.000 0.002 0.000 1.161 271 F CB 0.456 39.626 39.000 0.284 0.000 1.265 271 F HN 0.231 nan 8.300 nan 0.000 0.530 272 I N 3.351 123.835 120.570 -0.144 0.000 2.330 272 I HA 0.110 4.279 4.170 -0.001 0.000 0.286 272 I C -0.092 175.888 176.117 -0.229 0.000 1.025 272 I CA -0.566 60.550 61.300 -0.307 0.000 1.197 272 I CB 0.805 38.672 38.000 -0.222 0.000 1.358 272 I HN 0.340 nan 8.210 nan 0.000 0.467 273 D N 8.081 128.246 120.400 -0.392 0.000 2.383 273 D HA 0.019 4.658 4.640 -0.001 0.000 0.245 273 D C -0.125 176.164 176.300 -0.018 0.000 1.263 273 D CA 0.505 54.464 54.000 -0.068 0.000 0.936 273 D CB 0.060 40.943 40.800 0.138 0.000 1.053 273 D HN 0.440 nan 8.370 nan 0.000 0.507 274 N N 3.161 121.871 118.700 0.017 0.000 2.695 274 N HA -0.228 4.511 4.740 -0.001 0.000 0.281 274 N C 0.279 175.818 175.510 0.049 0.000 1.648 274 N CA 0.093 53.181 53.050 0.063 0.000 1.250 274 N CB -0.488 38.081 38.487 0.137 0.000 0.876 274 N HN 0.510 nan 8.380 nan 0.000 0.473 275 I N 3.884 124.481 120.570 0.045 0.000 3.728 275 I HA 0.096 4.265 4.170 -0.001 0.000 0.307 275 I C 1.737 177.993 176.117 0.232 0.000 1.276 275 I CA 0.131 61.474 61.300 0.072 0.000 1.285 275 I CB -0.080 37.919 38.000 -0.002 0.000 1.038 275 I HN 0.561 nan 8.210 nan 0.000 0.445 276 F N 1.444 121.447 119.950 0.088 0.000 2.163 276 F HA -0.075 4.451 4.527 -0.001 0.000 0.297 276 F C 2.156 178.024 175.800 0.112 0.000 1.094 276 F CA 1.295 59.359 58.000 0.107 0.000 1.290 276 F CB -0.324 38.763 39.000 0.144 0.000 1.017 276 F HN -0.099 nan 8.300 nan 0.000 0.483 277 R N 0.071 120.512 120.500 -0.098 0.000 2.341 277 R HA -0.167 4.172 4.340 -0.001 0.000 0.213 277 R C 1.890 178.110 176.300 -0.133 0.000 1.082 277 R CA 0.911 56.886 56.100 -0.208 0.000 1.017 277 R CB -1.504 28.790 30.300 -0.010 0.000 0.860 277 R HN 0.491 nan 8.270 nan 0.000 0.473 278 F N -0.115 119.706 119.950 -0.215 0.000 2.317 278 F HA 0.023 4.549 4.527 -0.001 0.000 0.293 278 F C 1.804 177.500 175.800 -0.174 0.000 1.085 278 F CA 0.439 58.346 58.000 -0.156 0.000 1.390 278 F CB -0.169 38.766 39.000 -0.109 0.000 1.077 278 F HN -0.291 nan 8.300 nan 0.000 0.517 279 V N 0.913 120.515 119.914 -0.520 0.000 2.331 279 V HA -0.219 3.901 4.120 -0.001 0.000 0.242 279 V C 2.491 178.341 176.094 -0.407 0.000 1.034 279 V CA 1.964 63.927 62.300 -0.562 0.000 1.027 279 V CB -0.655 30.983 31.823 -0.307 0.000 0.667 279 V HN 0.462 nan 8.190 nan 0.000 0.457 280 Q N 0.355 119.788 119.800 -0.613 0.000 2.173 280 Q HA -0.284 4.055 4.340 -0.001 0.000 0.208 280 Q C 2.061 177.907 176.000 -0.256 0.000 0.989 280 Q CA 2.442 57.965 55.803 -0.465 0.000 0.872 280 Q CB -0.297 27.981 28.738 -0.767 0.000 0.909 280 Q HN 0.629 nan 8.270 nan 0.000 0.420 281 A N -0.154 122.507 122.820 -0.266 0.000 2.015 281 A HA -0.008 4.311 4.320 -0.001 0.000 0.219 281 A C 2.107 179.602 177.584 -0.148 0.000 1.163 281 A CA 1.298 53.240 52.037 -0.159 0.000 0.646 281 A CB -0.651 18.285 19.000 -0.106 0.000 0.806 281 A HN 0.598 nan 8.150 nan 0.000 0.448 282 G N -1.348 107.322 108.800 -0.217 0.000 2.492 282 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.214 282 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.214 282 G C 1.743 176.584 174.900 -0.099 0.000 1.147 282 G CA 1.106 46.100 45.100 -0.178 0.000 0.809 282 G HN 0.495 nan 8.290 nan 0.000 0.533 283 S N 0.867 116.519 115.700 -0.080 0.000 2.381 283 S HA -0.216 4.254 4.470 -0.001 0.000 0.230 283 S C 2.168 176.746 174.600 -0.038 0.000 1.052 283 S CA 2.124 60.313 58.200 -0.017 0.000 1.068 283 S CB -0.339 62.858 63.200 -0.005 0.000 0.918 283 S HN 0.598 nan 8.310 nan 0.000 0.448 284 E N 0.136 120.303 120.200 -0.055 0.000 2.338 284 E HA -0.055 4.295 4.350 -0.001 0.000 0.197 284 E C 1.832 178.411 176.600 -0.035 0.000 1.007 284 E CA 1.199 57.572 56.400 -0.045 0.000 0.849 284 E CB -0.091 29.580 29.700 -0.050 0.000 0.774 284 E HN 0.697 nan 8.360 nan 0.000 0.506 285 V N -2.551 117.341 119.914 -0.036 0.000 3.643 285 V HA 0.109 4.228 4.120 -0.001 0.000 0.280 285 V C 1.950 178.036 176.094 -0.013 0.000 1.351 285 V CA 0.540 62.826 62.300 -0.024 0.000 1.073 285 V CB 0.698 32.505 31.823 -0.026 0.000 0.863 285 V HN 0.069 nan 8.190 nan 0.000 0.436 286 S N 2.108 117.800 115.700 -0.014 0.000 2.406 286 S HA -0.104 4.365 4.470 -0.001 0.000 0.211 286 S C 2.230 176.831 174.600 0.001 0.000 1.045 286 S CA 2.332 60.531 58.200 -0.002 0.000 1.058 286 S CB -0.755 62.448 63.200 0.005 0.000 1.044 286 S HN 1.086 nan 8.310 nan 0.000 0.413 287 A N 1.250 124.069 122.820 -0.002 0.000 1.986 287 A HA -0.065 4.254 4.320 -0.001 0.000 0.220 287 A C 2.379 179.962 177.584 -0.002 0.000 1.171 287 A CA 1.746 53.782 52.037 -0.002 0.000 0.640 287 A CB -1.026 17.970 19.000 -0.007 0.000 0.811 287 A HN 0.650 nan 8.150 nan 0.000 0.451 288 L N -1.059 120.161 121.223 -0.005 0.000 2.083 288 L HA -0.117 4.222 4.340 -0.001 0.000 0.209 288 L C 2.005 178.876 176.870 0.002 0.000 1.083 288 L CA 1.162 56.000 54.840 -0.003 0.000 0.752 288 L CB -0.137 41.918 42.059 -0.007 0.000 0.899 288 L HN 0.420 nan 8.230 nan 0.000 0.433 289 L N -0.919 120.307 121.223 0.005 0.000 2.591 289 L HA 0.181 4.520 4.340 -0.001 0.000 0.228 289 L C 1.114 177.991 176.870 0.012 0.000 1.133 289 L CA 0.572 55.419 54.840 0.011 0.000 0.880 289 L CB -0.088 41.980 42.059 0.016 0.000 1.033 289 L HN 0.397 nan 8.230 nan 0.000 0.450 290 G N 0.561 109.367 108.800 0.009 0.000 2.207 290 G HA2 -0.191 3.768 3.960 -0.001 0.000 0.216 290 G HA3 -0.191 3.768 3.960 -0.001 0.000 0.216 290 G C 0.142 175.048 174.900 0.011 0.000 1.053 290 G CA -0.428 44.677 45.100 0.009 0.000 0.764 290 G HN 0.278 nan 8.290 nan 0.000 0.495 291 R N -1.036 119.470 120.500 0.011 0.000 2.843 291 R HA 0.786 5.125 4.340 -0.001 0.000 0.232 291 R C 0.502 176.810 176.300 0.013 0.000 1.305 291 R CA -0.974 55.134 56.100 0.014 0.000 1.096 291 R CB 0.644 30.954 30.300 0.017 0.000 1.455 291 R HN 0.268 nan 8.270 nan 0.000 0.520 292 M N 2.952 122.561 119.600 0.015 0.000 2.149 292 M HA 0.325 4.804 4.480 -0.001 0.000 0.342 292 M C -2.049 174.264 176.300 0.021 0.000 1.068 292 M CA -1.946 53.363 55.300 0.016 0.000 0.991 292 M CB 1.550 34.159 32.600 0.015 0.000 1.596 292 M HN 0.271 nan 8.290 nan 0.000 0.439 293 P HA 0.124 nan 4.420 nan 0.000 0.271 293 P C -0.502 176.822 177.300 0.040 0.000 1.244 293 P CA -0.036 63.080 63.100 0.027 0.000 0.793 293 P CB 1.169 32.877 31.700 0.012 0.000 0.984 294 S N -0.838 114.900 115.700 0.064 0.000 3.331 294 S HA 0.605 5.074 4.470 -0.001 0.000 0.316 294 S C -0.778 173.886 174.600 0.107 0.000 1.104 294 S CA -0.265 57.983 58.200 0.079 0.000 0.977 294 S CB 0.232 63.484 63.200 0.086 0.000 1.370 294 S HN 0.581 nan 8.310 nan 0.000 0.731 295 A N 1.003 123.901 122.820 0.131 0.000 2.540 295 A HA 0.416 4.735 4.320 -0.001 0.000 0.264 295 A C 0.847 178.575 177.584 0.240 0.000 1.080 295 A CA 0.692 52.821 52.037 0.153 0.000 0.776 295 A CB -1.511 17.573 19.000 0.140 0.000 1.011 295 A HN 1.644 nan 8.150 nan 0.000 0.514 296 V N 1.705 121.702 119.914 0.138 0.000 5.083 296 V HA -0.281 3.838 4.120 -0.001 0.000 0.286 296 V C 1.800 177.819 176.094 -0.125 0.000 0.428 296 V CA 1.324 63.667 62.300 0.072 0.000 0.750 296 V CB -2.454 29.494 31.823 0.209 0.000 0.642 296 V HN 2.852 nan 8.190 nan 0.000 1.362 297 G N -2.561 106.198 108.800 -0.069 0.000 2.179 297 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.260 297 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.260 297 G C -0.024 174.797 174.900 -0.131 0.000 0.977 297 G CA 0.500 45.524 45.100 -0.126 0.000 0.641 297 G HN 0.922 nan 8.290 nan 0.000 0.533 298 Y N 1.589 121.907 120.300 0.029 0.000 2.220 298 Y HA 0.436 4.985 4.550 -0.001 0.000 0.347 298 Y C 1.379 177.282 175.900 0.005 0.000 1.311 298 Y CA 0.185 58.296 58.100 0.018 0.000 1.593 298 Y CB 0.269 38.748 38.460 0.032 0.000 1.419 298 Y HN 0.413 nan 8.280 nan 0.000 0.614 299 Q N 2.589 122.498 119.800 0.181 0.000 2.312 299 Q HA 0.183 4.522 4.340 -0.001 0.000 0.236 299 Q C -2.331 173.714 176.000 0.075 0.000 0.965 299 Q CA -1.934 53.922 55.803 0.087 0.000 0.894 299 Q CB 1.028 29.794 28.738 0.046 0.000 1.225 299 Q HN 0.350 nan 8.270 nan 0.000 0.478 300 P HA -0.080 nan 4.420 nan 0.000 0.223 300 P C 0.535 177.855 177.300 0.034 0.000 1.151 300 P CA 1.255 64.380 63.100 0.042 0.000 0.787 300 P CB 0.010 31.729 31.700 0.032 0.000 0.788 301 T N -3.055 111.517 114.554 0.031 0.000 3.218 301 T HA 0.301 4.650 4.350 -0.001 0.000 0.236 301 T C 1.072 175.780 174.700 0.012 0.000 1.005 301 T CA -0.474 61.642 62.100 0.027 0.000 1.055 301 T CB -0.712 68.174 68.868 0.030 0.000 1.136 301 T HN -0.038 nan 8.240 nan 0.000 0.577 302 L N 1.162 122.390 121.223 0.008 0.000 2.168 302 L HA 0.053 4.392 4.340 -0.001 0.000 0.203 302 L C 2.612 179.476 176.870 -0.009 0.000 1.078 302 L CA 1.171 55.995 54.840 -0.026 0.000 0.780 302 L CB -0.127 41.907 42.059 -0.041 0.000 0.939 302 L HN 0.582 nan 8.230 nan 0.000 0.451 303 S N -2.264 113.450 115.700 0.023 0.000 2.436 303 S HA -0.113 4.357 4.470 -0.001 0.000 0.228 303 S C 1.624 176.272 174.600 0.080 0.000 1.014 303 S CA 1.205 59.443 58.200 0.063 0.000 0.950 303 S CB -0.456 62.777 63.200 0.055 0.000 0.784 303 S HN 0.402 nan 8.310 nan 0.000 0.504 304 T N 1.766 116.355 114.554 0.058 0.000 3.067 304 T HA 0.164 4.514 4.350 -0.001 0.000 0.261 304 T C 1.492 176.242 174.700 0.083 0.000 1.110 304 T CA 0.840 62.980 62.100 0.067 0.000 1.113 304 T CB -0.049 68.851 68.868 0.054 0.000 0.917 304 T HN 0.581 nan 8.240 nan 0.000 0.499 305 E N 0.689 120.927 120.200 0.064 0.000 2.099 305 E HA 0.192 4.541 4.350 -0.001 0.000 0.191 305 E C 1.851 178.551 176.600 0.166 0.000 0.962 305 E CA 0.339 56.786 56.400 0.077 0.000 0.826 305 E CB -0.015 29.656 29.700 -0.049 0.000 0.788 305 E HN 0.243 nan 8.360 nan 0.000 0.461 306 M N 0.680 120.354 119.600 0.123 0.000 2.561 306 M HA 0.078 4.557 4.480 -0.001 0.000 0.238 306 M C 1.397 177.707 176.300 0.018 0.000 1.131 306 M CA 0.438 55.905 55.300 0.278 0.000 1.046 306 M CB 0.282 33.026 32.600 0.240 0.000 1.532 306 M HN 0.130 nan 8.290 nan 0.000 0.497 307 G N -0.871 107.943 108.800 0.023 0.000 2.490 307 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.211 307 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.211 307 G C 1.235 176.105 174.900 -0.049 0.000 1.159 307 G CA 0.130 45.187 45.100 -0.072 0.000 0.819 307 G HN 0.441 nan 8.290 nan 0.000 0.539 308 S N 0.161 115.887 115.700 0.042 0.000 2.547 308 S HA 0.136 4.606 4.470 -0.001 0.000 0.235 308 S C 0.959 175.570 174.600 0.019 0.000 0.980 308 S CA 0.386 58.618 58.200 0.053 0.000 0.941 308 S CB -0.191 63.072 63.200 0.105 0.000 0.763 308 S HN 0.267 nan 8.310 nan 0.000 0.532 309 L N 0.777 121.986 121.223 -0.022 0.000 2.913 309 L HA 0.448 4.787 4.340 -0.001 0.000 0.283 309 L C 0.420 177.185 176.870 -0.175 0.000 1.336 309 L CA -0.118 54.666 54.840 -0.093 0.000 0.815 309 L CB 0.381 42.370 42.059 -0.117 0.000 1.188 309 L HN 0.020 nan 8.230 nan 0.000 0.551 310 Q N -0.142 119.549 119.800 -0.180 0.000 1.921 310 Q HA 0.152 4.491 4.340 -0.001 0.000 0.192 310 Q C 0.385 176.314 176.000 -0.118 0.000 0.755 310 Q CA 0.202 55.882 55.803 -0.205 0.000 0.904 310 Q CB 1.457 29.956 28.738 -0.399 0.000 1.222 310 Q HN 0.495 nan 8.270 nan 0.000 0.417 311 E N 0.085 120.238 120.200 -0.078 0.000 2.624 311 E HA 0.248 4.597 4.350 -0.001 0.000 0.210 311 E C 0.848 177.437 176.600 -0.018 0.000 0.997 311 E CA -0.007 56.383 56.400 -0.015 0.000 0.999 311 E CB 0.906 30.622 29.700 0.026 0.000 1.040 311 E HN 0.096 nan 8.360 nan 0.000 0.469 312 R N 0.041 120.514 120.500 -0.045 0.000 2.310 312 R HA 0.291 4.630 4.340 -0.001 0.000 0.199 312 R C 1.176 177.438 176.300 -0.063 0.000 0.891 312 R CA 0.080 56.152 56.100 -0.046 0.000 1.060 312 R CB 0.647 30.915 30.300 -0.054 0.000 1.188 312 R HN 0.015 nan 8.270 nan 0.000 0.607 313 I N 2.080 122.601 120.570 -0.082 0.000 2.528 313 I HA 0.031 4.200 4.170 -0.001 0.000 0.276 313 I C 0.257 176.326 176.117 -0.080 0.000 1.056 313 I CA 0.287 61.529 61.300 -0.096 0.000 1.858 313 I CB -0.167 37.758 38.000 -0.123 0.000 1.448 313 I HN -0.016 nan 8.210 nan 0.000 0.776 314 T N 0.425 114.942 114.554 -0.062 0.000 2.887 314 T HA 0.482 4.831 4.350 -0.001 0.000 0.292 314 T C -0.062 174.604 174.700 -0.057 0.000 1.087 314 T CA -0.572 61.494 62.100 -0.056 0.000 1.009 314 T CB 1.652 70.501 68.868 -0.031 0.000 1.203 314 T HN 0.316 nan 8.240 nan 0.000 0.518 315 S N 1.457 117.121 115.700 -0.061 0.000 2.562 315 S HA 0.655 5.124 4.470 -0.001 0.000 0.275 315 S C 0.346 174.918 174.600 -0.047 0.000 1.281 315 S CA -0.189 57.977 58.200 -0.057 0.000 1.045 315 S CB 0.901 64.059 63.200 -0.070 0.000 0.962 315 S HN 1.097 nan 8.310 nan 0.000 0.503 316 T N -0.407 114.122 114.554 -0.042 0.000 2.693 316 T HA 0.494 4.843 4.350 -0.001 0.000 0.278 316 T C 0.593 175.269 174.700 -0.041 0.000 0.994 316 T CA -1.029 61.045 62.100 -0.042 0.000 1.033 316 T CB 0.895 69.740 68.868 -0.038 0.000 1.342 316 T HN 0.535 nan 8.240 nan 0.000 0.538 317 K N 0.201 120.575 120.400 -0.043 0.000 2.155 317 K HA 0.028 4.347 4.320 -0.001 0.000 0.203 317 K C 1.912 178.493 176.600 -0.032 0.000 1.052 317 K CA 1.151 57.414 56.287 -0.040 0.000 0.948 317 K CB -0.065 32.409 32.500 -0.044 0.000 0.728 317 K HN 0.642 nan 8.250 nan 0.000 0.448 318 E N 0.348 120.528 120.200 -0.033 0.000 2.409 318 E HA -0.056 4.293 4.350 -0.001 0.000 0.198 318 E C 0.977 177.563 176.600 -0.024 0.000 1.024 318 E CA 0.531 56.913 56.400 -0.031 0.000 0.861 318 E CB 0.244 29.921 29.700 -0.038 0.000 0.788 318 E HN 0.463 nan 8.360 nan 0.000 0.521 319 G N -0.357 108.431 108.800 -0.020 0.000 2.563 319 G HA2 0.165 4.124 3.960 -0.001 0.000 0.068 319 G HA3 0.165 4.124 3.960 -0.001 0.000 0.068 319 G C -0.940 173.954 174.900 -0.011 0.000 1.001 319 G CA -0.010 45.086 45.100 -0.007 0.000 1.188 319 G HN 0.102 nan 8.290 nan 0.000 0.512 320 S N -1.306 114.390 115.700 -0.006 0.000 2.683 320 S HA 0.552 5.021 4.470 -0.001 0.000 0.278 320 S C -2.401 172.182 174.600 -0.029 0.000 1.059 320 S CA -0.529 57.656 58.200 -0.026 0.000 0.847 320 S CB 1.297 64.478 63.200 -0.032 0.000 1.078 320 S HN 1.048 nan 8.310 nan 0.000 0.456 321 I N 3.373 123.899 120.570 -0.074 0.000 2.531 321 I HA 0.276 4.445 4.170 -0.001 0.000 0.283 321 I C -0.230 175.785 176.117 -0.170 0.000 1.083 321 I CA -0.236 61.005 61.300 -0.099 0.000 1.071 321 I CB 1.282 39.229 38.000 -0.087 0.000 1.210 321 I HN 0.697 nan 8.210 nan 0.000 0.450 322 T N 2.986 117.398 114.554 -0.235 0.000 3.477 322 T HA 0.160 4.509 4.350 -0.001 0.000 0.347 322 T C 0.694 175.199 174.700 -0.325 0.000 1.567 322 T CA -0.442 61.456 62.100 -0.337 0.000 1.169 322 T CB -0.259 68.283 68.868 -0.544 0.000 1.196 322 T HN 0.627 nan 8.240 nan 0.000 0.768 323 S N 2.392 117.935 115.700 -0.261 0.000 2.455 323 S HA 0.379 4.848 4.470 -0.001 0.000 0.278 323 S C 0.132 174.602 174.600 -0.216 0.000 1.216 323 S CA -0.789 57.255 58.200 -0.260 0.000 1.055 323 S CB -0.168 62.916 63.200 -0.192 0.000 0.939 323 S HN 0.591 nan 8.310 nan 0.000 0.494 324 I N 4.077 124.522 120.570 -0.209 0.000 2.395 324 I HA 0.163 4.332 4.170 -0.001 0.000 0.282 324 I C 0.261 176.421 176.117 0.072 0.000 1.107 324 I CA -0.434 60.859 61.300 -0.012 0.000 1.210 324 I CB 0.134 38.276 38.000 0.237 0.000 1.456 324 I HN 0.707 nan 8.210 nan 0.000 0.504 325 Q N 4.314 124.110 119.800 -0.007 0.000 2.257 325 Q HA 0.775 5.114 4.340 -0.001 0.000 0.255 325 Q C -0.467 175.510 176.000 -0.038 0.000 0.920 325 Q CA -0.777 55.008 55.803 -0.030 0.000 0.927 325 Q CB 2.300 30.993 28.738 -0.074 0.000 1.229 325 Q HN 0.560 nan 8.270 nan 0.000 0.433 326 A N 2.454 125.247 122.820 -0.045 0.000 2.303 326 A HA 0.660 4.979 4.320 -0.001 0.000 0.317 326 A C -0.597 176.865 177.584 -0.203 0.000 1.149 326 A CA -0.684 51.295 52.037 -0.097 0.000 0.822 326 A CB 1.157 20.165 19.000 0.013 0.000 1.131 326 A HN 0.547 nan 8.150 nan 0.000 0.493 327 V N 2.421 122.072 119.914 -0.438 0.000 2.488 327 V HA 0.178 4.297 4.120 -0.001 0.000 0.293 327 V C -0.845 175.063 176.094 -0.310 0.000 1.027 327 V CA -0.506 61.513 62.300 -0.469 0.000 0.862 327 V CB 0.996 32.138 31.823 -1.135 0.000 1.008 327 V HN 0.835 nan 8.190 nan 0.000 0.428 328 Y N 4.692 124.896 120.300 -0.160 0.000 2.610 328 Y HA 0.309 4.858 4.550 -0.002 0.000 0.332 328 Y C 0.213 175.825 175.900 -0.481 0.000 1.201 328 Y CA 0.368 58.284 58.100 -0.307 0.000 1.465 328 Y CB 1.015 39.265 38.460 -0.349 0.000 1.283 328 Y HN 0.412 nan 8.280 nan 0.000 0.563 329 V N 9.583 128.880 119.914 -1.027 0.000 2.250 329 V HA 0.248 4.367 4.120 -0.001 0.000 0.268 329 V C -2.207 173.398 176.094 -0.814 0.000 1.043 329 V CA -2.038 59.863 62.300 -0.666 0.000 0.814 329 V CB 0.455 32.115 31.823 -0.271 0.000 1.072 329 V HN 0.734 nan 8.190 nan 0.000 0.451 330 P HA 0.001 nan 4.420 nan 0.000 0.263 330 P C 0.794 178.028 177.300 -0.109 0.000 1.175 330 P CA 0.878 63.857 63.100 -0.202 0.000 0.761 330 P CB 0.523 32.248 31.700 0.043 0.000 0.794 331 A N 3.405 126.209 122.820 -0.027 0.000 2.681 331 A HA -0.288 4.031 4.320 -0.001 0.000 0.304 331 A C 0.955 178.517 177.584 -0.036 0.000 1.516 331 A CA 1.588 53.621 52.037 -0.007 0.000 0.837 331 A CB -2.521 16.493 19.000 0.024 0.000 0.998 331 A HN 0.740 nan 8.150 nan 0.000 0.466 332 D N -2.550 117.796 120.400 -0.089 0.000 2.978 332 D HA -0.190 4.450 4.640 -0.001 0.000 0.205 332 D C -0.082 176.196 176.300 -0.036 0.000 1.093 332 D CA 2.095 56.056 54.000 -0.066 0.000 1.006 332 D CB -1.053 39.731 40.800 -0.026 0.000 1.116 332 D HN 0.962 nan 8.370 nan 0.000 0.419 333 D N -0.002 120.381 120.400 -0.028 0.000 2.280 333 D HA 0.222 4.861 4.640 -0.001 0.000 0.243 333 D C 1.174 177.493 176.300 0.031 0.000 1.129 333 D CA -0.247 53.758 54.000 0.009 0.000 0.848 333 D CB 0.688 41.502 40.800 0.024 0.000 1.107 333 D HN 0.124 nan 8.370 nan 0.000 0.471 334 L N 2.766 124.025 121.223 0.059 0.000 2.492 334 L HA -0.001 4.338 4.340 -0.001 0.000 0.223 334 L C 2.133 179.075 176.870 0.119 0.000 1.132 334 L CA 0.706 55.618 54.840 0.121 0.000 0.850 334 L CB -0.555 41.588 42.059 0.141 0.000 0.966 334 L HN 0.508 nan 8.230 nan 0.000 0.454 335 T N -4.007 110.592 114.554 0.076 0.000 2.995 335 T HA -0.120 4.229 4.350 -0.001 0.000 0.269 335 T C 0.849 175.599 174.700 0.083 0.000 1.091 335 T CA -0.078 62.063 62.100 0.069 0.000 1.128 335 T CB -0.382 68.516 68.868 0.049 0.000 0.891 335 T HN 0.122 nan 8.240 nan 0.000 0.492 336 D N 3.150 123.605 120.400 0.093 0.000 2.583 336 D HA 0.049 4.688 4.640 -0.001 0.000 0.232 336 D C -1.582 174.761 176.300 0.072 0.000 1.128 336 D CA -1.803 52.272 54.000 0.125 0.000 0.859 336 D CB 1.171 42.045 40.800 0.123 0.000 1.169 336 D HN 0.060 nan 8.370 nan 0.000 0.481 337 P HA -0.108 nan 4.420 nan 0.000 0.218 337 P C 0.787 177.910 177.300 -0.295 0.000 1.148 337 P CA 1.774 64.795 63.100 -0.132 0.000 0.822 337 P CB 0.133 31.741 31.700 -0.154 0.000 0.784 338 A N 0.597 123.141 122.820 -0.459 0.000 1.835 338 A HA -0.109 4.210 4.320 -0.001 0.000 0.215 338 A C 0.052 177.648 177.584 0.021 0.000 1.199 338 A CA 2.134 54.026 52.037 -0.243 0.000 0.615 338 A CB -2.223 16.856 19.000 0.132 0.000 0.838 338 A HN 0.222 nan 8.150 nan 0.000 0.444 339 P HA -0.028 nan 4.420 nan 0.000 0.217 339 P C 1.681 178.912 177.300 -0.114 0.000 1.154 339 P CA 1.819 64.976 63.100 0.096 0.000 0.841 339 P CB -0.215 31.557 31.700 0.120 0.000 0.788 340 A N 0.547 123.345 122.820 -0.037 0.000 1.896 340 A HA -0.257 4.063 4.320 -0.001 0.000 0.220 340 A C 2.401 180.030 177.584 0.075 0.000 1.206 340 A CA 3.196 55.295 52.037 0.104 0.000 0.647 340 A CB -2.183 16.896 19.000 0.130 0.000 0.828 340 A HN 0.236 nan 8.150 nan 0.000 0.455 341 T N -0.020 114.550 114.554 0.027 0.000 2.699 341 T HA -0.181 4.168 4.350 -0.001 0.000 0.268 341 T C 1.968 176.731 174.700 0.106 0.000 1.036 341 T CA 2.045 64.180 62.100 0.058 0.000 1.147 341 T CB -0.820 68.075 68.868 0.045 0.000 0.862 341 T HN 0.686 nan 8.240 nan 0.000 0.446 342 T N 2.195 116.801 114.554 0.086 0.000 2.544 342 T HA -0.182 4.167 4.350 -0.001 0.000 0.264 342 T C 1.502 176.299 174.700 0.162 0.000 1.096 342 T CA 1.658 63.877 62.100 0.199 0.000 1.181 342 T CB -0.940 68.118 68.868 0.316 0.000 0.864 342 T HN 0.255 nan 8.240 nan 0.000 0.415 343 F N 2.064 122.036 119.950 0.037 0.000 2.065 343 F HA -0.336 4.190 4.527 -0.001 0.000 0.286 343 F C 2.742 178.498 175.800 -0.073 0.000 1.072 343 F CA 1.120 59.056 58.000 -0.108 0.000 1.288 343 F CB -1.682 37.191 39.000 -0.210 0.000 0.963 343 F HN 0.252 nan 8.300 nan 0.000 0.496 344 A N -0.861 122.001 122.820 0.071 0.000 1.892 344 A HA -0.238 4.081 4.320 -0.001 0.000 0.218 344 A C 1.680 179.198 177.584 -0.110 0.000 1.188 344 A CA 1.973 53.947 52.037 -0.105 0.000 0.631 344 A CB -1.225 17.602 19.000 -0.289 0.000 0.822 344 A HN 0.587 nan 8.150 nan 0.000 0.447 345 H N -0.705 118.418 119.070 0.088 0.000 2.689 345 H HA 0.292 4.848 4.556 -0.001 0.000 0.290 345 H C -0.595 174.774 175.328 0.068 0.000 1.089 345 H CA 0.444 56.532 56.048 0.066 0.000 1.194 345 H CB -0.804 28.995 29.762 0.062 0.000 1.289 345 H HN 0.325 nan 8.280 nan 0.000 0.616 346 L N 0.348 121.661 121.223 0.149 0.000 2.410 346 L HA 0.226 4.565 4.340 -0.001 0.000 0.270 346 L C 0.584 177.495 176.870 0.068 0.000 0.983 346 L CA -0.601 54.313 54.840 0.125 0.000 0.822 346 L CB 2.455 44.630 42.059 0.192 0.000 1.285 346 L HN -0.079 nan 8.230 nan 0.000 0.409 347 D N 1.894 122.314 120.400 0.033 0.000 2.340 347 D HA 0.257 4.896 4.640 -0.001 0.000 0.220 347 D C 0.387 176.701 176.300 0.023 0.000 1.039 347 D CA 0.471 54.479 54.000 0.014 0.000 0.866 347 D CB 1.213 42.005 40.800 -0.014 0.000 0.913 347 D HN 0.569 nan 8.370 nan 0.000 0.523 348 A N 0.128 122.970 122.820 0.037 0.000 2.599 348 A HA 0.642 4.961 4.320 -0.001 0.000 0.290 348 A C -1.043 176.613 177.584 0.121 0.000 1.101 348 A CA -0.622 51.456 52.037 0.069 0.000 0.674 348 A CB 1.622 20.654 19.000 0.054 0.000 1.277 348 A HN 0.002 nan 8.150 nan 0.000 0.419 349 T N -1.509 113.140 114.554 0.159 0.000 3.105 349 T HA 0.644 4.994 4.350 -0.001 0.000 0.321 349 T C -0.966 173.878 174.700 0.240 0.000 1.135 349 T CA -0.410 61.827 62.100 0.228 0.000 1.053 349 T CB 1.459 70.428 68.868 0.169 0.000 1.133 349 T HN 0.745 nan 8.240 nan 0.000 0.463 350 T N 2.471 117.211 114.554 0.310 0.000 3.250 350 T HA 0.397 4.746 4.350 -0.001 0.000 0.391 350 T C 0.114 174.985 174.700 0.284 0.000 1.502 350 T CA -0.486 61.780 62.100 0.277 0.000 1.320 350 T CB 0.311 69.362 68.868 0.305 0.000 1.102 350 T HN 0.670 nan 8.240 nan 0.000 0.610 351 V N 4.843 124.899 119.914 0.236 0.000 2.439 351 V HA 0.209 4.328 4.120 -0.001 0.000 0.271 351 V C 0.125 176.321 176.094 0.170 0.000 1.040 351 V CA -0.646 61.793 62.300 0.231 0.000 1.002 351 V CB 0.038 31.962 31.823 0.167 0.000 1.000 351 V HN 0.536 nan 8.190 nan 0.000 0.477 352 L N 4.499 125.823 121.223 0.168 0.000 2.399 352 L HA 0.497 4.836 4.340 -0.001 0.000 0.266 352 L C 0.475 177.400 176.870 0.092 0.000 1.114 352 L CA 0.580 55.496 54.840 0.126 0.000 0.804 352 L CB 1.390 43.526 42.059 0.129 0.000 1.146 352 L HN 0.702 nan 8.230 nan 0.000 0.451 353 S N 1.331 117.073 115.700 0.070 0.000 2.537 353 S HA 0.471 4.940 4.470 -0.001 0.000 0.301 353 S C 0.878 175.500 174.600 0.037 0.000 1.092 353 S CA -0.606 57.621 58.200 0.045 0.000 1.048 353 S CB 1.196 64.414 63.200 0.030 0.000 1.053 353 S HN 0.693 nan 8.310 nan 0.000 0.501 354 R N 2.383 122.899 120.500 0.027 0.000 2.173 354 R HA 0.148 4.487 4.340 -0.001 0.000 0.208 354 R C 1.791 178.098 176.300 0.012 0.000 1.035 354 R CA 1.203 57.319 56.100 0.026 0.000 1.004 354 R CB -0.731 29.580 30.300 0.019 0.000 0.917 354 R HN 0.783 nan 8.270 nan 0.000 0.462 355 G N 0.421 109.223 108.800 0.003 0.000 2.459 355 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.213 355 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.213 355 G C 1.265 176.151 174.900 -0.023 0.000 1.155 355 G CA -0.050 45.047 45.100 -0.006 0.000 0.811 355 G HN 0.180 nan 8.290 nan 0.000 0.534 356 L N 0.648 121.858 121.223 -0.022 0.000 2.552 356 L HA 0.204 4.543 4.340 -0.001 0.000 0.227 356 L C 2.766 179.562 176.870 -0.124 0.000 1.146 356 L CA 0.516 55.329 54.840 -0.045 0.000 0.858 356 L CB 0.120 42.171 42.059 -0.013 0.000 0.969 356 L HN 0.315 nan 8.230 nan 0.000 0.451 357 A N -0.569 122.186 122.820 -0.108 0.000 2.140 357 A HA 0.320 4.640 4.320 -0.001 0.000 0.209 357 A C 2.263 179.770 177.584 -0.130 0.000 1.181 357 A CA 0.698 52.623 52.037 -0.187 0.000 0.824 357 A CB -0.076 18.959 19.000 0.057 0.000 0.879 357 A HN 0.240 nan 8.150 nan 0.000 0.480 358 A N 0.003 122.788 122.820 -0.058 0.000 2.206 358 A HA 0.073 4.392 4.320 -0.001 0.000 0.211 358 A C 1.717 179.267 177.584 -0.058 0.000 1.158 358 A CA 1.015 53.035 52.037 -0.027 0.000 0.761 358 A CB -0.264 18.730 19.000 -0.009 0.000 0.801 358 A HN 0.424 nan 8.150 nan 0.000 0.473 359 K N -1.687 118.646 120.400 -0.112 0.000 2.367 359 K HA 0.243 4.562 4.320 -0.001 0.000 0.194 359 K C 1.230 177.728 176.600 -0.170 0.000 1.027 359 K CA 0.500 56.716 56.287 -0.118 0.000 1.075 359 K CB 0.257 32.696 32.500 -0.102 0.000 0.845 359 K HN 0.546 nan 8.250 nan 0.000 0.529 360 G N 1.708 110.352 108.800 -0.259 0.000 2.253 360 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.251 360 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.251 360 G C 0.099 174.795 174.900 -0.339 0.000 0.998 360 G CA -0.185 44.772 45.100 -0.240 0.000 0.621 360 G HN 0.146 nan 8.290 nan 0.000 0.524 361 I N 1.967 122.352 120.570 -0.307 0.000 2.578 361 I HA 0.425 4.594 4.170 -0.001 0.000 0.286 361 I C 0.038 175.946 176.117 -0.350 0.000 1.126 361 I CA -0.175 61.058 61.300 -0.113 0.000 1.380 361 I CB -0.376 37.602 38.000 -0.037 0.000 1.408 361 I HN 0.134 nan 8.210 nan 0.000 0.532 362 Y N 7.403 127.757 120.300 0.090 0.000 2.499 362 Y HA 0.518 5.067 4.550 -0.001 0.000 0.347 362 Y C -2.189 173.675 175.900 -0.060 0.000 0.987 362 Y CA -3.031 55.052 58.100 -0.030 0.000 1.044 362 Y CB 1.453 39.861 38.460 -0.087 0.000 1.245 362 Y HN 0.411 nan 8.280 nan 0.000 0.461 363 P HA 0.086 nan 4.420 nan 0.000 0.267 363 P C -0.620 176.766 177.300 0.144 0.000 1.205 363 P CA -0.026 63.091 63.100 0.028 0.000 0.765 363 P CB 0.795 32.476 31.700 -0.032 0.000 0.828 364 A N 4.398 127.357 122.820 0.231 0.000 2.993 364 A HA 0.236 4.555 4.320 -0.001 0.000 0.281 364 A C 0.266 177.909 177.584 0.099 0.000 1.847 364 A CA -0.002 52.089 52.037 0.090 0.000 1.470 364 A CB -1.145 17.917 19.000 0.104 0.000 1.028 364 A HN 0.383 nan 8.150 nan 0.000 0.604 365 V N 2.926 122.898 119.914 0.097 0.000 2.409 365 V HA 0.161 4.280 4.120 -0.001 0.000 0.291 365 V C 0.092 176.238 176.094 0.087 0.000 1.020 365 V CA -0.939 61.428 62.300 0.111 0.000 0.848 365 V CB 1.691 33.598 31.823 0.140 0.000 0.990 365 V HN 0.761 nan 8.190 nan 0.000 0.430 366 D N 8.200 128.648 120.400 0.080 0.000 2.349 366 D HA 0.093 4.733 4.640 -0.001 0.000 0.266 366 D C -1.235 175.099 176.300 0.058 0.000 1.293 366 D CA -1.374 52.663 54.000 0.061 0.000 0.926 366 D CB 1.859 42.690 40.800 0.052 0.000 1.090 366 D HN 0.300 nan 8.370 nan 0.000 0.502 367 P HA -0.093 nan 4.420 nan 0.000 0.228 367 P C 1.539 178.851 177.300 0.020 0.000 1.151 367 P CA 0.469 63.591 63.100 0.036 0.000 0.770 367 P CB 0.607 32.328 31.700 0.034 0.000 0.786 368 L N -0.605 120.630 121.223 0.021 0.000 2.189 368 L HA 0.124 4.463 4.340 -0.001 0.000 0.199 368 L C 1.056 177.924 176.870 -0.005 0.000 1.074 368 L CA 0.780 55.623 54.840 0.005 0.000 0.783 368 L CB -0.542 41.520 42.059 0.004 0.000 0.955 368 L HN -0.109 nan 8.230 nan 0.000 0.460 369 D N 0.690 121.091 120.400 0.002 0.000 2.563 369 D HA 0.194 4.833 4.640 -0.001 0.000 0.222 369 D C -0.991 175.317 176.300 0.013 0.000 1.145 369 D CA 0.340 54.331 54.000 -0.015 0.000 1.001 369 D CB 0.327 41.117 40.800 -0.017 0.000 1.049 369 D HN -0.108 nan 8.370 nan 0.000 0.515 370 S N 0.928 116.636 115.700 0.014 0.000 2.333 370 S HA 0.216 4.686 4.470 -0.001 0.000 0.250 370 S C -0.405 174.225 174.600 0.051 0.000 0.959 370 S CA -0.886 57.349 58.200 0.058 0.000 1.037 370 S CB 0.699 63.956 63.200 0.096 0.000 1.215 370 S HN 0.449 nan 8.310 nan 0.000 0.410 371 T N -0.537 114.041 114.554 0.039 0.000 2.889 371 T HA 0.892 5.241 4.350 -0.001 0.000 0.278 371 T C -0.142 174.601 174.700 0.073 0.000 0.995 371 T CA -1.056 61.065 62.100 0.036 0.000 0.966 371 T CB 1.850 70.713 68.868 -0.008 0.000 1.237 371 T HN 0.628 nan 8.240 nan 0.000 0.591 372 S N -0.791 114.945 115.700 0.060 0.000 2.550 372 S HA 0.287 4.756 4.470 -0.001 0.000 0.274 372 S C 0.832 175.460 174.600 0.045 0.000 1.110 372 S CA -0.325 57.919 58.200 0.074 0.000 1.013 372 S CB 0.401 63.674 63.200 0.121 0.000 1.152 372 S HN 0.786 nan 8.310 nan 0.000 0.450 373 T N 4.342 118.914 114.554 0.031 0.000 2.751 373 T HA -0.202 4.147 4.350 -0.001 0.000 0.268 373 T C 1.462 176.168 174.700 0.009 0.000 1.045 373 T CA 1.971 64.079 62.100 0.015 0.000 1.142 373 T CB -0.357 68.516 68.868 0.008 0.000 0.851 373 T HN 0.684 nan 8.240 nan 0.000 0.474 374 M N 0.627 120.238 119.600 0.019 0.000 2.639 374 M HA 0.254 4.733 4.480 -0.001 0.000 0.220 374 M C 0.263 176.545 176.300 -0.030 0.000 1.155 374 M CA 0.221 55.522 55.300 0.002 0.000 1.003 374 M CB -0.339 32.279 32.600 0.029 0.000 1.725 374 M HN 0.141 nan 8.290 nan 0.000 0.489 375 L N 0.914 122.129 121.223 -0.014 0.000 2.855 375 L HA 0.064 4.403 4.340 -0.001 0.000 0.245 375 L C 0.061 176.930 176.870 -0.001 0.000 1.276 375 L CA 0.162 54.992 54.840 -0.016 0.000 1.118 375 L CB -0.621 41.468 42.059 0.050 0.000 1.444 375 L HN 0.286 nan 8.230 nan 0.000 0.440 376 Q N 0.786 120.515 119.800 -0.119 0.000 2.282 376 Q HA 0.239 4.578 4.340 -0.001 0.000 0.260 376 Q C -1.519 174.253 176.000 -0.380 0.000 0.964 376 Q CA -1.962 53.678 55.803 -0.272 0.000 0.880 376 Q CB 1.805 30.438 28.738 -0.174 0.000 1.286 376 Q HN -0.048 nan 8.270 nan 0.000 0.445 377 P HA -0.132 nan 4.420 nan 0.000 0.226 377 P C 0.486 177.643 177.300 -0.238 0.000 1.153 377 P CA 0.981 63.801 63.100 -0.467 0.000 0.777 377 P CB 0.327 31.627 31.700 -0.667 0.000 0.794 378 R N -0.532 119.828 120.500 -0.234 0.000 2.307 378 R HA 0.105 4.444 4.340 -0.001 0.000 0.199 378 R C 1.249 177.497 176.300 -0.087 0.000 1.000 378 R CA 0.577 56.599 56.100 -0.130 0.000 1.023 378 R CB 0.003 30.234 30.300 -0.115 0.000 0.908 378 R HN 0.265 nan 8.270 nan 0.000 0.473 379 I N -1.244 119.270 120.570 -0.094 0.000 4.439 379 I HA 0.007 4.176 4.170 -0.001 0.000 0.331 379 I C 1.389 177.495 176.117 -0.018 0.000 1.345 379 I CA 0.483 61.755 61.300 -0.047 0.000 1.193 379 I CB 0.625 38.598 38.000 -0.044 0.000 1.221 379 I HN -0.108 nan 8.210 nan 0.000 0.429 380 V N -2.065 117.831 119.914 -0.029 0.000 3.155 380 V HA 0.840 4.959 4.120 -0.001 0.000 0.225 380 V C 0.717 176.862 176.094 0.084 0.000 1.462 380 V CA 0.481 62.810 62.300 0.049 0.000 1.270 380 V CB 0.653 32.486 31.823 0.018 0.000 1.112 380 V HN 0.322 nan 8.190 nan 0.000 0.479 381 G N 0.365 109.185 108.800 0.035 0.000 2.339 381 G HA2 0.201 4.160 3.960 -0.001 0.000 0.381 381 G HA3 0.201 4.160 3.960 -0.001 0.000 0.381 381 G C -0.463 174.506 174.900 0.116 0.000 1.400 381 G CA 0.126 45.270 45.100 0.073 0.000 1.002 381 G HN 0.171 nan 8.290 nan 0.000 0.633 382 E N -0.098 120.174 120.200 0.121 0.000 2.072 382 E HA 0.017 4.366 4.350 -0.001 0.000 0.190 382 E C 2.097 178.815 176.600 0.197 0.000 0.982 382 E CA 1.452 57.960 56.400 0.179 0.000 0.803 382 E CB 0.051 29.826 29.700 0.125 0.000 0.755 382 E HN 0.650 nan 8.360 nan 0.000 0.453 383 E N -0.268 120.028 120.200 0.160 0.000 2.153 383 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 383 E C 1.876 178.596 176.600 0.200 0.000 0.988 383 E CA 0.989 57.478 56.400 0.148 0.000 0.811 383 E CB -0.034 29.735 29.700 0.116 0.000 0.746 383 E HN 0.464 nan 8.360 nan 0.000 0.466 384 H N -1.768 117.367 119.070 0.109 0.000 2.448 384 H HA -0.079 4.477 4.556 -0.001 0.000 0.292 384 H C 1.800 177.213 175.328 0.141 0.000 1.035 384 H CA 0.808 56.919 56.048 0.105 0.000 1.349 384 H CB 0.194 30.014 29.762 0.096 0.000 1.425 384 H HN 0.264 nan 8.280 nan 0.000 0.539 385 Y N 1.315 121.670 120.300 0.092 0.000 2.176 385 Y HA -0.136 4.413 4.550 -0.001 0.000 0.291 385 Y C 2.240 178.154 175.900 0.023 0.000 1.122 385 Y CA 1.510 59.611 58.100 0.002 0.000 1.128 385 Y CB 0.282 38.735 38.460 -0.012 0.000 1.005 385 Y HN 0.282 nan 8.280 nan 0.000 0.509 386 E N 0.654 120.850 120.200 -0.005 0.000 2.001 386 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 386 E C 2.152 178.712 176.600 -0.066 0.000 0.994 386 E CA 1.687 58.026 56.400 -0.102 0.000 0.815 386 E CB -0.327 29.371 29.700 -0.003 0.000 0.770 386 E HN 0.461 nan 8.360 nan 0.000 0.453 387 I N 1.661 122.241 120.570 0.017 0.000 2.103 387 I HA -0.402 3.767 4.170 -0.001 0.000 0.241 387 I C 2.667 178.770 176.117 -0.024 0.000 1.036 387 I CA 1.434 62.751 61.300 0.028 0.000 1.300 387 I CB -0.587 37.463 38.000 0.082 0.000 1.010 387 I HN 0.158 nan 8.210 nan 0.000 0.406 388 A N -0.089 122.723 122.820 -0.013 0.000 1.915 388 A HA -0.343 3.976 4.320 -0.001 0.000 0.220 388 A C 2.230 179.760 177.584 -0.088 0.000 1.198 388 A CA 2.346 54.352 52.037 -0.051 0.000 0.647 388 A CB -0.838 18.177 19.000 0.025 0.000 0.825 388 A HN 0.585 nan 8.150 nan 0.000 0.456 389 Q N -1.286 118.444 119.800 -0.118 0.000 2.049 389 Q HA -0.131 4.208 4.340 -0.001 0.000 0.198 389 Q C 2.422 178.373 176.000 -0.082 0.000 0.971 389 Q CA 1.337 57.063 55.803 -0.128 0.000 0.833 389 Q CB -0.148 28.460 28.738 -0.215 0.000 0.896 389 Q HN 0.662 nan 8.270 nan 0.000 0.434 390 R N -0.057 120.404 120.500 -0.065 0.000 2.103 390 R HA -0.161 4.178 4.340 -0.001 0.000 0.242 390 R C 2.338 178.632 176.300 -0.011 0.000 1.142 390 R CA 1.562 57.645 56.100 -0.027 0.000 0.960 390 R CB -0.598 29.700 30.300 -0.004 0.000 0.858 390 R HN 0.094 nan 8.270 nan 0.000 0.439 391 V N 1.550 121.451 119.914 -0.023 0.000 2.233 391 V HA -0.310 3.809 4.120 -0.001 0.000 0.247 391 V C 2.099 178.183 176.094 -0.017 0.000 1.050 391 V CA 1.994 64.280 62.300 -0.022 0.000 1.010 391 V CB -0.472 31.260 31.823 -0.152 0.000 0.637 391 V HN 0.342 nan 8.190 nan 0.000 0.444 392 K N -0.071 120.304 120.400 -0.042 0.000 2.063 392 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 392 K C 2.112 178.706 176.600 -0.010 0.000 1.048 392 K CA 1.850 58.121 56.287 -0.026 0.000 0.928 392 K CB -0.313 32.162 32.500 -0.042 0.000 0.713 392 K HN 0.569 nan 8.250 nan 0.000 0.442 393 E N 0.298 120.487 120.200 -0.018 0.000 2.065 393 E HA -0.199 4.151 4.350 -0.001 0.000 0.201 393 E C 2.048 178.655 176.600 0.012 0.000 1.016 393 E CA 1.926 58.320 56.400 -0.010 0.000 0.818 393 E CB -0.265 29.425 29.700 -0.017 0.000 0.749 393 E HN 0.295 nan 8.360 nan 0.000 0.453 394 T N 1.224 115.791 114.554 0.021 0.000 2.915 394 T HA -0.076 4.273 4.350 -0.001 0.000 0.269 394 T C 1.767 176.510 174.700 0.070 0.000 1.071 394 T CA 0.611 62.736 62.100 0.041 0.000 1.132 394 T CB -0.049 68.840 68.868 0.034 0.000 0.878 394 T HN 0.068 nan 8.240 nan 0.000 0.479 395 L N 0.710 121.968 121.223 0.058 0.000 2.610 395 L HA 0.051 4.390 4.340 -0.001 0.000 0.232 395 L C 2.435 179.345 176.870 0.068 0.000 1.149 395 L CA 0.553 55.440 54.840 0.079 0.000 0.872 395 L CB -0.012 42.080 42.059 0.055 0.000 0.992 395 L HN 0.171 nan 8.230 nan 0.000 0.447 396 Q N -0.265 119.560 119.800 0.043 0.000 2.387 396 Q HA -0.011 4.328 4.340 -0.001 0.000 0.212 396 Q C 2.091 178.103 176.000 0.020 0.000 0.925 396 Q CA 0.917 56.731 55.803 0.018 0.000 0.901 396 Q CB 0.175 28.914 28.738 0.001 0.000 1.020 396 Q HN 0.212 nan 8.270 nan 0.000 0.545 397 R N -0.598 119.926 120.500 0.039 0.000 2.096 397 R HA -0.183 4.156 4.340 -0.001 0.000 0.229 397 R C 2.207 178.542 176.300 0.058 0.000 1.134 397 R CA 1.815 57.941 56.100 0.043 0.000 0.917 397 R CB -0.952 29.382 30.300 0.057 0.000 0.832 397 R HN 0.305 nan 8.270 nan 0.000 0.430 398 Y N 1.981 122.276 120.300 -0.008 0.000 2.241 398 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 398 Y C 2.213 178.109 175.900 -0.008 0.000 1.166 398 Y CA 1.714 59.810 58.100 -0.007 0.000 1.203 398 Y CB -0.134 38.323 38.460 -0.005 0.000 0.977 398 Y HN -0.039 nan 8.280 nan 0.000 0.529 399 K N 0.226 120.564 120.400 -0.104 0.000 2.288 399 K HA -0.108 4.211 4.320 -0.001 0.000 0.201 399 K C 1.285 177.784 176.600 -0.170 0.000 1.048 399 K CA 1.519 57.704 56.287 -0.170 0.000 0.956 399 K CB -0.042 32.432 32.500 -0.042 0.000 0.746 399 K HN 0.460 nan 8.250 nan 0.000 0.461 400 E N -0.110 120.018 120.200 -0.120 0.000 2.481 400 E HA 0.039 4.388 4.350 -0.001 0.000 0.198 400 E C 1.193 177.730 176.600 -0.106 0.000 1.027 400 E CA -0.036 56.309 56.400 -0.093 0.000 0.900 400 E CB 0.466 30.135 29.700 -0.051 0.000 0.993 400 E HN 0.289 nan 8.360 nan 0.000 0.482 401 L N 0.143 121.269 121.223 -0.161 0.000 2.425 401 L HA 0.021 4.361 4.340 -0.001 0.000 0.215 401 L C 2.250 178.999 176.870 -0.202 0.000 1.065 401 L CA 0.253 55.012 54.840 -0.135 0.000 0.842 401 L CB -0.054 41.967 42.059 -0.064 0.000 1.033 401 L HN 0.040 nan 8.230 nan 0.000 0.474 402 Q N 0.834 120.408 119.800 -0.377 0.000 1.900 402 Q HA -0.275 4.064 4.340 -0.001 0.000 0.219 402 Q C 1.549 177.450 176.000 -0.165 0.000 1.012 402 Q CA 2.154 57.748 55.803 -0.348 0.000 0.876 402 Q CB -0.348 28.143 28.738 -0.411 0.000 0.952 402 Q HN 0.440 nan 8.270 nan 0.000 0.419 403 D N 0.058 120.377 120.400 -0.134 0.000 2.292 403 D HA -0.193 4.446 4.640 -0.001 0.000 0.205 403 D C 1.742 178.004 176.300 -0.062 0.000 0.994 403 D CA 0.990 54.941 54.000 -0.081 0.000 0.897 403 D CB -0.053 40.706 40.800 -0.069 0.000 0.907 403 D HN 0.251 nan 8.370 nan 0.000 0.467 404 I N 1.229 121.758 120.570 -0.069 0.000 2.260 404 I HA -0.120 4.049 4.170 -0.001 0.000 0.237 404 I C 2.820 178.918 176.117 -0.033 0.000 1.075 404 I CA 0.483 61.757 61.300 -0.045 0.000 1.376 404 I CB -1.192 36.783 38.000 -0.042 0.000 1.107 404 I HN 0.012 nan 8.210 nan 0.000 0.420 405 I N 0.394 120.944 120.570 -0.033 0.000 2.361 405 I HA -0.160 4.009 4.170 -0.001 0.000 0.251 405 I C 2.594 178.706 176.117 -0.007 0.000 1.133 405 I CA 1.588 62.883 61.300 -0.009 0.000 1.413 405 I CB -0.701 37.308 38.000 0.015 0.000 1.073 405 I HN 0.050 nan 8.210 nan 0.000 0.424 406 A N 1.455 124.262 122.820 -0.022 0.000 1.986 406 A HA -0.140 4.179 4.320 -0.001 0.000 0.220 406 A C 2.195 179.773 177.584 -0.010 0.000 1.171 406 A CA 2.115 54.143 52.037 -0.015 0.000 0.640 406 A CB -0.514 18.468 19.000 -0.029 0.000 0.811 406 A HN 0.596 nan 8.150 nan 0.000 0.451 407 I N -2.426 118.137 120.570 -0.013 0.000 4.338 407 I HA 0.168 4.337 4.170 -0.001 0.000 0.315 407 I C 1.478 177.591 176.117 -0.007 0.000 1.262 407 I CA 0.497 61.791 61.300 -0.009 0.000 1.298 407 I CB -0.449 37.543 38.000 -0.012 0.000 1.257 407 I HN 0.188 nan 8.210 nan 0.000 0.444 408 L N 0.824 122.043 121.223 -0.008 0.000 2.611 408 L HA 0.325 4.664 4.340 -0.001 0.000 0.229 408 L C 1.294 178.164 176.870 0.000 0.000 1.137 408 L CA 0.133 54.970 54.840 -0.005 0.000 0.901 408 L CB -0.455 41.599 42.059 -0.007 0.000 1.098 408 L HN 0.354 nan 8.230 nan 0.000 0.456 409 G N 0.564 109.366 108.800 0.003 0.000 2.622 409 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.272 409 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.272 409 G C 0.371 175.279 174.900 0.013 0.000 1.308 409 G CA 0.289 45.394 45.100 0.009 0.000 0.919 409 G HN 0.199 nan 8.290 nan 0.000 0.565 410 L N -0.653 120.579 121.223 0.015 0.000 2.717 410 L HA 0.223 4.562 4.340 -0.001 0.000 0.239 410 L C 2.042 178.919 176.870 0.013 0.000 1.086 410 L CA 0.452 55.303 54.840 0.018 0.000 0.897 410 L CB -0.077 41.996 42.059 0.023 0.000 1.214 410 L HN 0.479 nan 8.230 nan 0.000 0.508 411 D N 1.292 121.698 120.400 0.010 0.000 2.254 411 D HA -0.209 4.430 4.640 -0.001 0.000 0.201 411 D C 1.481 177.785 176.300 0.006 0.000 0.998 411 D CA 1.354 55.358 54.000 0.007 0.000 0.885 411 D CB 0.127 40.931 40.800 0.006 0.000 0.915 411 D HN 0.363 nan 8.370 nan 0.000 0.460 412 E N -0.413 119.791 120.200 0.006 0.000 2.526 412 E HA 0.155 4.504 4.350 -0.001 0.000 0.208 412 E C 0.665 177.269 176.600 0.006 0.000 0.997 412 E CA -0.286 56.117 56.400 0.005 0.000 0.961 412 E CB 0.701 30.403 29.700 0.003 0.000 1.030 412 E HN 0.296 nan 8.360 nan 0.000 0.483 413 L N 2.573 123.802 121.223 0.009 0.000 2.416 413 L HA 0.030 4.369 4.340 -0.001 0.000 0.272 413 L C 0.800 177.676 176.870 0.010 0.000 1.161 413 L CA -0.130 54.717 54.840 0.011 0.000 0.845 413 L CB 0.634 42.704 42.059 0.018 0.000 1.119 413 L HN 0.003 nan 8.230 nan 0.000 0.464 414 S N 2.026 117.732 115.700 0.010 0.000 2.579 414 S HA 0.070 4.539 4.470 -0.001 0.000 0.275 414 S C 0.844 175.450 174.600 0.009 0.000 1.345 414 S CA -0.793 57.412 58.200 0.008 0.000 1.031 414 S CB 1.008 64.212 63.200 0.007 0.000 0.892 414 S HN 0.584 nan 8.310 nan 0.000 0.529 415 E N 1.001 121.205 120.200 0.007 0.000 2.401 415 E HA -0.107 4.242 4.350 -0.001 0.000 0.199 415 E C 1.039 177.643 176.600 0.006 0.000 1.023 415 E CA 0.784 57.187 56.400 0.006 0.000 0.859 415 E CB -0.135 29.567 29.700 0.004 0.000 0.780 415 E HN 0.735 nan 8.360 nan 0.000 0.523 416 E N -0.009 120.195 120.200 0.007 0.000 2.474 416 E HA -0.003 4.347 4.350 -0.001 0.000 0.195 416 E C 0.335 176.942 176.600 0.011 0.000 1.039 416 E CA 0.225 56.630 56.400 0.008 0.000 0.881 416 E CB 0.350 30.054 29.700 0.006 0.000 0.970 416 E HN 0.225 nan 8.360 nan 0.000 0.486 417 D N -0.518 119.891 120.400 0.015 0.000 2.479 417 D HA 0.092 4.731 4.640 -0.001 0.000 0.221 417 D C 1.531 177.849 176.300 0.031 0.000 1.104 417 D CA -0.004 54.010 54.000 0.023 0.000 0.849 417 D CB 0.498 41.311 40.800 0.022 0.000 1.072 417 D HN -0.076 nan 8.370 nan 0.000 0.502 418 R N 0.194 120.707 120.500 0.022 0.000 2.275 418 R HA 0.089 4.428 4.340 -0.001 0.000 0.199 418 R C 1.429 177.734 176.300 0.009 0.000 0.989 418 R CA 0.293 56.406 56.100 0.021 0.000 1.016 418 R CB 0.126 30.435 30.300 0.015 0.000 0.918 418 R HN 0.144 nan 8.270 nan 0.000 0.473 419 L N 1.262 122.488 121.223 0.006 0.000 2.240 419 L HA -0.069 4.270 4.340 -0.001 0.000 0.211 419 L C 2.345 179.210 176.870 -0.008 0.000 1.106 419 L CA 1.777 56.615 54.840 -0.005 0.000 0.793 419 L CB -0.456 41.602 42.059 -0.002 0.000 0.927 419 L HN 0.167 nan 8.230 nan 0.000 0.446 420 T N -4.311 110.249 114.554 0.010 0.000 2.777 420 T HA -0.125 4.224 4.350 -0.001 0.000 0.266 420 T C 1.851 176.551 174.700 0.000 0.000 1.040 420 T CA 1.448 63.560 62.100 0.020 0.000 1.141 420 T CB -0.974 67.927 68.868 0.055 0.000 0.868 420 T HN 0.092 nan 8.240 nan 0.000 0.444 421 V N 2.602 122.521 119.914 0.009 0.000 2.233 421 V HA -0.095 4.025 4.120 -0.001 0.000 0.247 421 V C 3.328 179.320 176.094 -0.170 0.000 1.050 421 V CA 1.881 64.142 62.300 -0.066 0.000 1.010 421 V CB -1.595 30.237 31.823 0.015 0.000 0.637 421 V HN 0.701 nan 8.190 nan 0.000 0.444 422 A N -0.029 122.730 122.820 -0.101 0.000 1.865 422 A HA -0.247 4.072 4.320 -0.001 0.000 0.217 422 A C 2.365 179.865 177.584 -0.140 0.000 1.191 422 A CA 2.092 54.065 52.037 -0.107 0.000 0.623 422 A CB -0.595 18.368 19.000 -0.061 0.000 0.826 422 A HN 0.512 nan 8.150 nan 0.000 0.444 423 R N -0.561 119.870 120.500 -0.115 0.000 2.091 423 R HA -0.138 4.201 4.340 -0.001 0.000 0.238 423 R C 2.515 178.726 176.300 -0.147 0.000 1.136 423 R CA 1.294 57.315 56.100 -0.131 0.000 0.959 423 R CB -0.577 29.678 30.300 -0.075 0.000 0.856 423 R HN 0.537 nan 8.270 nan 0.000 0.437 424 A N 1.524 124.262 122.820 -0.136 0.000 1.865 424 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 424 A C 2.057 179.524 177.584 -0.195 0.000 1.191 424 A CA 1.448 53.402 52.037 -0.139 0.000 0.623 424 A CB -0.488 18.408 19.000 -0.174 0.000 0.826 424 A HN 0.253 nan 8.150 nan 0.000 0.444 425 R N -0.530 119.794 120.500 -0.294 0.000 2.293 425 R HA -0.077 4.263 4.340 -0.001 0.000 0.219 425 R C 1.674 177.870 176.300 -0.173 0.000 1.091 425 R CA 1.380 57.333 56.100 -0.246 0.000 1.004 425 R CB -0.156 29.990 30.300 -0.255 0.000 0.865 425 R HN 0.518 nan 8.270 nan 0.000 0.469 426 K N -0.277 119.976 120.400 -0.245 0.000 2.323 426 K HA 0.136 4.455 4.320 -0.001 0.000 0.197 426 K C 1.664 178.034 176.600 -0.384 0.000 1.043 426 K CA 0.432 56.434 56.287 -0.475 0.000 0.997 426 K CB 0.395 32.473 32.500 -0.702 0.000 0.807 426 K HN 0.084 nan 8.250 nan 0.000 0.497 427 I N 1.129 121.622 120.570 -0.127 0.000 2.270 427 I HA -0.168 4.001 4.170 -0.001 0.000 0.239 427 I C 1.546 177.795 176.117 0.219 0.000 1.080 427 I CA 1.154 62.545 61.300 0.152 0.000 1.383 427 I CB -0.169 37.942 38.000 0.184 0.000 1.097 427 I HN 0.122 nan 8.210 nan 0.000 0.420 428 E N 0.785 121.047 120.200 0.104 0.000 2.331 428 E HA -0.200 4.149 4.350 -0.001 0.000 0.199 428 E C 2.123 178.800 176.600 0.128 0.000 1.008 428 E CA 0.844 57.306 56.400 0.104 0.000 0.843 428 E CB -0.034 29.693 29.700 0.046 0.000 0.761 428 E HN 0.459 nan 8.360 nan 0.000 0.507 429 R N -0.560 120.022 120.500 0.138 0.000 2.123 429 R HA 0.054 4.393 4.340 -0.001 0.000 0.209 429 R C 1.817 178.304 176.300 0.311 0.000 1.078 429 R CA 0.200 56.433 56.100 0.221 0.000 1.028 429 R CB -0.131 30.297 30.300 0.212 0.000 0.939 429 R HN 0.081 nan 8.270 nan 0.000 0.463 430 F N 1.471 121.470 119.950 0.082 0.000 2.583 430 F HA 0.006 4.532 4.527 -0.002 0.000 0.297 430 F C 1.248 177.152 175.800 0.175 0.000 1.131 430 F CA 0.896 58.935 58.000 0.065 0.000 1.467 430 F CB 0.067 38.889 39.000 -0.296 0.000 1.097 430 F HN -0.063 nan 8.300 nan 0.000 0.586 431 L N -0.600 120.778 121.223 0.258 0.000 2.629 431 L HA 0.116 4.455 4.340 -0.001 0.000 0.230 431 L C 0.858 177.815 176.870 0.145 0.000 1.151 431 L CA -0.034 54.950 54.840 0.240 0.000 0.924 431 L CB -0.477 41.732 42.059 0.249 0.000 1.137 431 L HN -0.008 nan 8.230 nan 0.000 0.457 432 S N 0.311 116.086 115.700 0.125 0.000 2.651 432 S HA 0.477 4.946 4.470 -0.001 0.000 0.291 432 S C -0.600 174.037 174.600 0.062 0.000 1.141 432 S CA -0.351 57.918 58.200 0.116 0.000 1.027 432 S CB 1.482 64.786 63.200 0.173 0.000 1.043 432 S HN 0.313 nan 8.310 nan 0.000 0.530 433 Q N 2.853 122.708 119.800 0.091 0.000 2.597 433 Q HA 0.258 4.597 4.340 -0.001 0.000 0.227 433 Q C -2.844 173.285 176.000 0.216 0.000 0.803 433 Q CA -1.329 54.548 55.803 0.123 0.000 1.030 433 Q CB 1.667 30.510 28.738 0.176 0.000 1.559 433 Q HN 0.472 nan 8.270 nan 0.000 0.481 434 P HA 0.105 nan 4.420 nan 0.000 0.272 434 P C -0.716 176.854 177.300 0.451 0.000 1.243 434 P CA 0.016 63.204 63.100 0.147 0.000 0.803 434 P CB 0.500 32.204 31.700 0.006 0.000 0.974 435 F N -1.814 118.163 119.950 0.044 0.000 2.579 435 F HA 0.322 4.848 4.527 -0.002 0.000 0.324 435 F C 1.321 177.166 175.800 0.074 0.000 1.058 435 F CA -1.175 56.903 58.000 0.130 0.000 0.944 435 F CB 0.404 39.495 39.000 0.152 0.000 1.245 435 F HN 0.111 nan 8.300 nan 0.000 0.477 436 F N 0.426 120.419 119.950 0.070 0.000 2.502 436 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 436 F C 1.818 177.629 175.800 0.019 0.000 1.111 436 F CA 0.763 58.753 58.000 -0.017 0.000 1.445 436 F CB -0.545 38.407 39.000 -0.081 0.000 1.081 436 F HN 0.128 nan 8.300 nan 0.000 0.558 437 V N -1.207 118.865 119.914 0.263 0.000 2.949 437 V HA 0.135 4.254 4.120 -0.001 0.000 0.245 437 V C 1.998 178.151 176.094 0.097 0.000 1.086 437 V CA 1.063 63.460 62.300 0.161 0.000 1.097 437 V CB -0.586 31.350 31.823 0.188 0.000 0.762 437 V HN 0.192 nan 8.190 nan 0.000 0.470 438 A N -0.345 122.589 122.820 0.190 0.000 2.412 438 A HA 0.124 4.443 4.320 -0.001 0.000 0.253 438 A C 1.492 179.058 177.584 -0.031 0.000 1.334 438 A CA -0.024 52.067 52.037 0.089 0.000 0.929 438 A CB -0.633 18.493 19.000 0.210 0.000 0.983 438 A HN 0.546 nan 8.150 nan 0.000 0.508 439 E N -0.366 119.793 120.200 -0.068 0.000 2.510 439 E HA -0.102 4.247 4.350 -0.001 0.000 0.202 439 E C 1.283 177.793 176.600 -0.149 0.000 1.072 439 E CA 1.136 57.473 56.400 -0.105 0.000 0.883 439 E CB -0.072 29.559 29.700 -0.115 0.000 0.818 439 E HN 0.686 nan 8.360 nan 0.000 0.548 440 V N -3.726 116.022 119.914 -0.277 0.000 3.528 440 V HA 0.141 4.260 4.120 -0.001 0.000 0.294 440 V C 1.066 176.974 176.094 -0.310 0.000 1.404 440 V CA 0.125 62.225 62.300 -0.334 0.000 1.065 440 V CB -0.222 31.323 31.823 -0.463 0.000 0.904 440 V HN 0.024 nan 8.190 nan 0.000 0.435 441 F N 1.866 121.787 119.950 -0.048 0.000 2.680 441 F HA 0.231 4.758 4.527 -0.001 0.000 0.290 441 F C 2.418 178.195 175.800 -0.039 0.000 1.114 441 F CA 1.009 58.968 58.000 -0.069 0.000 1.333 441 F CB -0.319 38.587 39.000 -0.157 0.000 1.091 441 F HN 0.275 nan 8.300 nan 0.000 0.606 442 T N -3.899 110.727 114.554 0.121 0.000 3.033 442 T HA 0.379 4.728 4.350 -0.001 0.000 0.248 442 T C 1.952 176.674 174.700 0.037 0.000 1.040 442 T CA 0.802 62.950 62.100 0.080 0.000 1.133 442 T CB -0.183 68.706 68.868 0.035 0.000 0.895 442 T HN 0.336 nan 8.240 nan 0.000 0.465 443 G N 1.453 110.252 108.800 -0.002 0.000 2.159 443 G HA2 -0.204 3.755 3.960 -0.001 0.000 0.256 443 G HA3 -0.204 3.755 3.960 -0.001 0.000 0.256 443 G C 0.175 175.050 174.900 -0.043 0.000 0.977 443 G CA 0.296 45.385 45.100 -0.019 0.000 0.652 443 G HN 1.336 nan 8.290 nan 0.000 0.531 444 S N -0.197 115.465 115.700 -0.064 0.000 2.599 444 S HA 0.833 5.303 4.470 -0.001 0.000 0.287 444 S C -2.788 171.726 174.600 -0.143 0.000 1.105 444 S CA -1.418 56.727 58.200 -0.092 0.000 0.899 444 S CB 3.080 66.226 63.200 -0.091 0.000 1.100 444 S HN 0.282 nan 8.310 nan 0.000 0.482 445 P HA 0.223 nan 4.420 nan 0.000 0.267 445 P C 0.560 177.615 177.300 -0.408 0.000 1.205 445 P CA 0.207 63.133 63.100 -0.290 0.000 0.765 445 P CB 0.034 31.587 31.700 -0.243 0.000 0.828 446 G N 3.344 111.703 108.800 -0.735 0.000 2.699 446 G HA2 0.296 4.256 3.960 -0.001 0.000 0.246 446 G HA3 0.296 4.256 3.960 -0.001 0.000 0.246 446 G C -0.358 173.974 174.900 -0.946 0.000 1.219 446 G CA -0.302 44.213 45.100 -0.975 0.000 0.866 446 G HN 0.439 nan 8.290 nan 0.000 0.572 447 K N -0.204 120.029 120.400 -0.279 0.000 2.525 447 K HA 0.154 4.473 4.320 -0.001 0.000 0.254 447 K C -1.640 175.172 176.600 0.353 0.000 0.934 447 K CA -0.523 55.794 56.287 0.051 0.000 0.802 447 K CB 2.121 34.623 32.500 0.003 0.000 1.295 447 K HN 0.632 nan 8.250 nan 0.000 0.433 448 Y N 1.287 121.764 120.300 0.295 0.000 2.535 448 Y HA 0.244 4.793 4.550 -0.001 0.000 0.349 448 Y C 0.347 176.268 175.900 0.035 0.000 0.992 448 Y CA -1.017 57.132 58.100 0.081 0.000 1.248 448 Y CB 1.033 39.471 38.460 -0.037 0.000 1.124 448 Y HN 0.062 nan 8.280 nan 0.000 0.520 449 V N 4.340 124.358 119.914 0.174 0.000 2.275 449 V HA 0.350 4.470 4.120 -0.001 0.000 0.272 449 V C 0.704 176.821 176.094 0.038 0.000 1.028 449 V CA -0.740 61.614 62.300 0.090 0.000 0.810 449 V CB 0.493 32.351 31.823 0.059 0.000 1.043 449 V HN 0.927 nan 8.190 nan 0.000 0.453 450 G N 2.431 111.243 108.800 0.019 0.000 2.570 450 G HA2 0.379 4.338 3.960 -0.001 0.000 0.276 450 G HA3 0.379 4.338 3.960 -0.001 0.000 0.276 450 G C 0.919 175.809 174.900 -0.017 0.000 1.346 450 G CA -0.561 44.526 45.100 -0.022 0.000 1.034 450 G HN 0.536 nan 8.290 nan 0.000 0.512 451 L N 0.248 121.445 121.223 -0.044 0.000 1.934 451 L HA -0.257 4.082 4.340 -0.001 0.000 0.227 451 L C 3.449 180.289 176.870 -0.050 0.000 1.084 451 L CA 2.076 56.863 54.840 -0.087 0.000 0.790 451 L CB -0.921 41.086 42.059 -0.088 0.000 0.896 451 L HN 0.594 nan 8.230 nan 0.000 0.437 452 A N -0.510 122.299 122.820 -0.017 0.000 1.903 452 A HA -0.265 4.054 4.320 -0.001 0.000 0.219 452 A C 2.151 179.767 177.584 0.053 0.000 1.191 452 A CA 2.103 54.151 52.037 0.018 0.000 0.638 452 A CB -0.649 18.365 19.000 0.024 0.000 0.823 452 A HN 0.537 nan 8.150 nan 0.000 0.451 453 E N -0.612 119.622 120.200 0.057 0.000 2.118 453 E HA -0.143 4.207 4.350 -0.001 0.000 0.195 453 E C 2.162 178.846 176.600 0.141 0.000 0.992 453 E CA 1.812 58.266 56.400 0.089 0.000 0.804 453 E CB -0.824 28.923 29.700 0.078 0.000 0.741 453 E HN 0.670 nan 8.360 nan 0.000 0.458 454 T N 1.476 116.107 114.554 0.128 0.000 2.770 454 T HA 0.012 4.361 4.350 -0.001 0.000 0.258 454 T C 2.181 177.071 174.700 0.316 0.000 1.039 454 T CA 0.574 62.808 62.100 0.224 0.000 1.143 454 T CB -0.232 68.719 68.868 0.138 0.000 0.866 454 T HN 0.053 nan 8.240 nan 0.000 0.428 455 I N 1.375 122.031 120.570 0.142 0.000 2.065 455 I HA -0.364 3.805 4.170 -0.001 0.000 0.236 455 I C 2.794 179.037 176.117 0.210 0.000 1.028 455 I CA 1.810 63.182 61.300 0.121 0.000 1.299 455 I CB -0.392 37.620 38.000 0.020 0.000 1.015 455 I HN 0.209 nan 8.210 nan 0.000 0.396 456 R N 0.584 121.180 120.500 0.161 0.000 2.073 456 R HA -0.111 4.228 4.340 -0.001 0.000 0.234 456 R C 2.447 178.848 176.300 0.169 0.000 1.134 456 R CA 1.399 57.585 56.100 0.143 0.000 0.952 456 R CB -1.061 29.298 30.300 0.100 0.000 0.850 456 R HN 0.538 nan 8.270 nan 0.000 0.433 457 G N 1.078 110.011 108.800 0.222 0.000 2.547 457 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.221 457 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.221 457 G C 1.126 176.063 174.900 0.062 0.000 1.140 457 G CA 1.053 46.278 45.100 0.208 0.000 0.760 457 G HN 0.222 nan 8.290 nan 0.000 0.583 458 F N 0.079 120.173 119.950 0.240 0.000 2.335 458 F HA 0.121 4.647 4.527 -0.001 0.000 0.296 458 F C 2.830 178.664 175.800 0.058 0.000 1.091 458 F CA 1.215 59.309 58.000 0.157 0.000 1.399 458 F CB -0.122 38.990 39.000 0.187 0.000 1.067 458 F HN 0.167 nan 8.300 nan 0.000 0.520 459 Q N 0.436 120.378 119.800 0.237 0.000 2.291 459 Q HA -0.130 4.209 4.340 -0.001 0.000 0.206 459 Q C 1.695 177.738 176.000 0.071 0.000 0.976 459 Q CA 1.007 56.892 55.803 0.137 0.000 0.875 459 Q CB -0.083 28.725 28.738 0.117 0.000 0.927 459 Q HN 0.459 nan 8.270 nan 0.000 0.450 460 L N -0.258 120.988 121.223 0.038 0.000 2.558 460 L HA 0.034 4.373 4.340 -0.001 0.000 0.225 460 L C 1.640 178.485 176.870 -0.041 0.000 1.128 460 L CA 0.163 54.998 54.840 -0.008 0.000 0.868 460 L CB -0.015 42.025 42.059 -0.031 0.000 1.006 460 L HN 0.279 nan 8.230 nan 0.000 0.454 461 I N -0.598 119.938 120.570 -0.056 0.000 2.729 461 I HA -0.124 4.045 4.170 -0.001 0.000 0.256 461 I C 2.038 178.136 176.117 -0.032 0.000 1.115 461 I CA 0.556 61.794 61.300 -0.103 0.000 1.446 461 I CB -0.063 37.821 38.000 -0.195 0.000 1.176 461 I HN 0.086 nan 8.210 nan 0.000 0.446 462 L N 1.039 122.280 121.223 0.030 0.000 2.450 462 L HA -0.105 4.235 4.340 -0.001 0.000 0.224 462 L C 2.058 178.939 176.870 0.018 0.000 1.149 462 L CA 0.972 55.833 54.840 0.036 0.000 0.816 462 L CB -0.699 41.399 42.059 0.065 0.000 0.932 462 L HN 0.335 nan 8.230 nan 0.000 0.449 463 S N -1.279 114.429 115.700 0.012 0.000 2.556 463 S HA 0.233 4.702 4.470 -0.001 0.000 0.216 463 S C 1.516 176.116 174.600 -0.000 0.000 0.970 463 S CA 0.179 58.385 58.200 0.009 0.000 0.912 463 S CB 0.464 63.672 63.200 0.014 0.000 0.790 463 S HN 0.448 nan 8.310 nan 0.000 0.504 464 G N 1.995 110.789 108.800 -0.011 0.000 2.283 464 G HA2 -0.303 3.656 3.960 -0.001 0.000 0.280 464 G HA3 -0.303 3.656 3.960 -0.001 0.000 0.280 464 G C 0.402 175.297 174.900 -0.008 0.000 1.029 464 G CA 0.638 45.729 45.100 -0.014 0.000 0.840 464 G HN 0.642 nan 8.290 nan 0.000 0.505 465 E N -0.978 119.217 120.200 -0.008 0.000 2.481 465 E HA 0.168 4.517 4.350 -0.001 0.000 0.195 465 E C 1.773 178.372 176.600 -0.000 0.000 1.047 465 E CA 0.477 56.875 56.400 -0.004 0.000 0.867 465 E CB 0.097 29.795 29.700 -0.004 0.000 0.858 465 E HN 0.664 nan 8.360 nan 0.000 0.513 466 L N 0.197 121.423 121.223 0.005 0.000 3.267 466 L HA 0.185 4.524 4.340 -0.001 0.000 0.289 466 L C 0.611 177.510 176.870 0.049 0.000 1.260 466 L CA -0.265 54.600 54.840 0.041 0.000 1.034 466 L CB 0.563 42.683 42.059 0.102 0.000 1.413 466 L HN -0.140 nan 8.230 nan 0.000 0.594 467 D N 0.795 121.203 120.400 0.013 0.000 2.311 467 D HA -0.140 4.499 4.640 -0.001 0.000 0.212 467 D C 2.132 178.443 176.300 0.018 0.000 0.972 467 D CA 1.615 55.619 54.000 0.006 0.000 0.887 467 D CB 0.310 41.108 40.800 -0.004 0.000 0.915 467 D HN 0.465 nan 8.370 nan 0.000 0.497 468 S N 0.101 115.815 115.700 0.023 0.000 2.348 468 S HA -0.062 4.408 4.470 -0.001 0.000 0.219 468 S C 1.264 175.883 174.600 0.032 0.000 1.033 468 S CA -0.063 58.148 58.200 0.018 0.000 0.974 468 S CB -0.649 62.555 63.200 0.006 0.000 0.868 468 S HN 0.123 nan 8.310 nan 0.000 0.459 469 L N 3.811 125.062 121.223 0.047 0.000 2.554 469 L HA 0.151 4.491 4.340 -0.001 0.000 0.293 469 L C -1.597 175.344 176.870 0.119 0.000 1.252 469 L CA -1.210 53.663 54.840 0.055 0.000 0.862 469 L CB -0.474 41.606 42.059 0.035 0.000 1.113 469 L HN 0.269 nan 8.230 nan 0.000 0.510 470 P HA 0.101 nan 4.420 nan 0.000 0.286 470 P C -0.150 177.283 177.300 0.222 0.000 1.293 470 P CA -0.351 62.813 63.100 0.106 0.000 0.770 470 P CB 0.723 32.455 31.700 0.054 0.000 1.206 471 E N -0.410 119.883 120.200 0.156 0.000 2.014 471 E HA -0.120 4.230 4.350 -0.001 0.000 0.190 471 E C 1.597 178.367 176.600 0.283 0.000 0.980 471 E CA 0.726 57.239 56.400 0.189 0.000 0.807 471 E CB -0.414 29.319 29.700 0.054 0.000 0.770 471 E HN 0.375 nan 8.360 nan 0.000 0.451 472 Q N 0.342 120.241 119.800 0.165 0.000 2.624 472 Q HA -0.012 4.327 4.340 -0.001 0.000 0.219 472 Q C 1.241 177.350 176.000 0.182 0.000 0.973 472 Q CA 0.528 56.446 55.803 0.191 0.000 0.983 472 Q CB -0.216 28.588 28.738 0.110 0.000 0.992 472 Q HN 0.280 nan 8.270 nan 0.000 0.574 473 A N -1.064 121.846 122.820 0.150 0.000 2.147 473 A HA 0.098 4.417 4.320 -0.001 0.000 0.211 473 A C 0.988 178.417 177.584 -0.260 0.000 1.160 473 A CA 0.204 52.161 52.037 -0.133 0.000 0.781 473 A CB 0.079 18.866 19.000 -0.354 0.000 0.842 473 A HN 0.265 nan 8.150 nan 0.000 0.475 474 F N -2.648 117.374 119.950 0.121 0.000 2.706 474 F HA 0.266 4.792 4.527 -0.001 0.000 0.308 474 F C 0.482 176.436 175.800 0.255 0.000 1.095 474 F CA -1.150 56.989 58.000 0.232 0.000 1.244 474 F CB -0.321 38.823 39.000 0.240 0.000 1.063 474 F HN 0.244 nan 8.300 nan 0.000 0.582 475 Y N 2.545 122.999 120.300 0.258 0.000 2.465 475 Y HA 0.338 4.887 4.550 -0.001 0.000 0.331 475 Y C 0.679 176.648 175.900 0.115 0.000 1.102 475 Y CA -1.223 56.972 58.100 0.159 0.000 1.358 475 Y CB 0.166 38.692 38.460 0.110 0.000 1.213 475 Y HN 0.158 nan 8.280 nan 0.000 0.525 476 L N 6.024 126.995 121.223 -0.421 0.000 3.795 476 L HA -0.194 4.145 4.340 -0.001 0.000 0.489 476 L C -0.760 176.008 176.870 -0.170 0.000 1.259 476 L CA 0.645 55.235 54.840 -0.416 0.000 0.765 476 L CB -1.823 39.780 42.059 -0.760 0.000 1.519 476 L HN 0.546 nan 8.230 nan 0.000 0.842 477 V N -3.148 116.738 119.914 -0.046 0.000 2.914 477 V HA 0.961 5.080 4.120 -0.001 0.000 0.314 477 V C 0.932 177.030 176.094 0.006 0.000 1.084 477 V CA 0.006 62.310 62.300 0.008 0.000 0.963 477 V CB 1.724 33.607 31.823 0.100 0.000 1.025 477 V HN 0.174 nan 8.190 nan 0.000 0.432 478 G N 2.444 111.253 108.800 0.015 0.000 2.561 478 G HA2 0.085 4.044 3.960 -0.001 0.000 0.208 478 G HA3 0.085 4.044 3.960 -0.001 0.000 0.208 478 G C 0.413 175.344 174.900 0.052 0.000 1.510 478 G CA 0.042 45.156 45.100 0.022 0.000 0.941 478 G HN 0.786 nan 8.290 nan 0.000 0.478 479 N N -0.193 118.568 118.700 0.102 0.000 2.413 479 N HA 0.159 4.898 4.740 -0.001 0.000 0.266 479 N C 1.202 176.902 175.510 0.317 0.000 1.238 479 N CA -0.708 52.450 53.050 0.180 0.000 0.972 479 N CB 1.593 40.153 38.487 0.122 0.000 1.210 479 N HN 0.095 nan 8.380 nan 0.000 0.547 480 I N 1.212 122.003 120.570 0.369 0.000 2.264 480 I HA -0.267 3.902 4.170 -0.001 0.000 0.248 480 I C 0.980 177.089 176.117 -0.012 0.000 1.111 480 I CA 1.712 63.090 61.300 0.131 0.000 1.382 480 I CB -0.399 37.596 38.000 -0.008 0.000 1.060 480 I HN 0.400 nan 8.210 nan 0.000 0.418 481 D N 0.464 120.875 120.400 0.018 0.000 2.097 481 D HA -0.195 4.444 4.640 -0.001 0.000 0.195 481 D C 2.052 178.326 176.300 -0.043 0.000 0.989 481 D CA 1.506 55.491 54.000 -0.026 0.000 0.827 481 D CB -0.361 40.438 40.800 -0.003 0.000 0.966 481 D HN 0.493 nan 8.370 nan 0.000 0.456 482 E N 0.020 120.219 120.200 -0.001 0.000 2.333 482 E HA -0.073 4.276 4.350 -0.001 0.000 0.198 482 E C 1.539 178.103 176.600 -0.061 0.000 1.007 482 E CA 0.696 57.087 56.400 -0.016 0.000 0.845 482 E CB -0.026 29.683 29.700 0.015 0.000 0.766 482 E HN 0.251 nan 8.360 nan 0.000 0.507 483 A N 0.493 123.251 122.820 -0.102 0.000 2.251 483 A HA 0.044 4.363 4.320 -0.001 0.000 0.209 483 A C 0.878 178.168 177.584 -0.489 0.000 1.187 483 A CA 0.348 52.183 52.037 -0.336 0.000 0.823 483 A CB 0.481 19.204 19.000 -0.462 0.000 0.846 483 A HN -0.016 nan 8.150 nan 0.000 0.486 484 T N 0.604 114.991 114.554 -0.278 0.000 3.305 484 T HA 0.635 4.984 4.350 -0.001 0.000 0.348 484 T C -0.418 174.203 174.700 -0.133 0.000 1.394 484 T CA 0.481 62.447 62.100 -0.224 0.000 1.549 484 T CB 0.402 69.159 68.868 -0.185 0.000 0.962 484 T HN 0.693 nan 8.240 nan 0.000 0.609 485 A N 0.000 122.748 122.820 -0.120 0.000 2.254 485 A HA 0.000 4.319 4.320 -0.001 0.000 0.244 485 A CA 0.000 51.990 52.037 -0.078 0.000 0.836 485 A CB 0.000 18.962 19.000 -0.063 0.000 0.831 485 A HN 0.000 nan 8.150 nan 0.000 0.486