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 1fx0_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 0.000 175.622 175.510 0.187 0.000 1.280 19 N CA 0.000 53.160 53.050 0.183 0.000 0.885 19 N CB 0.000 38.649 38.487 0.270 0.000 1.341 20 L N 1.123 122.447 121.223 0.168 0.000 2.492 20 L HA 0.589 4.928 4.340 -0.002 0.000 0.258 20 L C 0.247 177.054 176.870 -0.106 0.000 1.028 20 L CA -0.482 54.376 54.840 0.029 0.000 0.900 20 L CB 1.405 43.472 42.059 0.015 0.000 1.191 20 L HN 0.678 nan 8.230 nan 0.000 0.459 21 G N 2.048 110.593 108.800 -0.426 0.000 2.552 21 G HA2 0.720 4.679 3.960 -0.002 0.000 0.324 21 G HA3 0.720 4.679 3.960 -0.002 0.000 0.324 21 G C -0.811 173.823 174.900 -0.443 0.000 1.217 21 G CA -0.619 44.048 45.100 -0.721 0.000 0.989 21 G HN 0.397 nan 8.290 nan 0.000 0.490 22 R N -0.044 120.252 120.500 -0.339 0.000 2.562 22 R HA 0.326 4.665 4.340 -0.002 0.000 0.298 22 R C -0.162 176.034 176.300 -0.174 0.000 0.961 22 R CA -0.904 55.076 56.100 -0.200 0.000 0.881 22 R CB 1.949 32.175 30.300 -0.122 0.000 1.159 22 R HN 0.303 nan 8.270 nan 0.000 0.450 23 I N 2.071 122.567 120.570 -0.123 0.000 2.775 23 I HA -0.095 4.074 4.170 -0.002 0.000 0.290 23 I C 1.124 177.205 176.117 -0.060 0.000 1.203 23 I CA 0.883 62.134 61.300 -0.082 0.000 1.433 23 I CB 0.887 38.853 38.000 -0.055 0.000 1.354 23 I HN 0.870 nan 8.210 nan 0.000 0.579 24 A N 5.809 128.603 122.820 -0.042 0.000 2.066 24 A HA 0.238 4.557 4.320 -0.002 0.000 0.198 24 A C 0.628 178.203 177.584 -0.015 0.000 1.405 24 A CA 0.108 52.128 52.037 -0.027 0.000 0.973 24 A CB 0.518 19.505 19.000 -0.020 0.000 1.026 24 A HN 0.743 nan 8.150 nan 0.000 0.474 25 Q N -0.562 119.232 119.800 -0.010 0.000 2.284 25 Q HA 0.573 4.912 4.340 -0.002 0.000 0.269 25 Q C -2.112 173.886 176.000 -0.004 0.000 1.026 25 Q CA -0.398 55.402 55.803 -0.005 0.000 0.831 25 Q CB 2.354 31.093 28.738 0.001 0.000 1.322 25 Q HN 0.322 nan 8.270 nan 0.000 0.419 26 I N 3.665 124.233 120.570 -0.004 0.000 2.595 26 I HA 0.340 4.509 4.170 -0.002 0.000 0.275 26 I C -0.729 175.387 176.117 -0.002 0.000 1.092 26 I CA 0.087 61.385 61.300 -0.004 0.000 1.145 26 I CB 0.970 38.966 38.000 -0.006 0.000 1.276 26 I HN 0.471 nan 8.210 nan 0.000 0.497 27 I N 5.419 125.989 120.570 -0.000 0.000 2.442 27 I HA 0.600 4.769 4.170 -0.002 0.000 0.279 27 I C 1.117 177.233 176.117 -0.001 0.000 1.081 27 I CA -0.296 61.003 61.300 -0.000 0.000 1.197 27 I CB 0.275 38.275 38.000 0.001 0.000 1.394 27 I HN 0.773 nan 8.210 nan 0.000 0.488 28 G N 7.702 116.501 108.800 -0.002 0.000 2.562 28 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.250 28 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.250 28 G C -1.850 173.049 174.900 -0.002 0.000 1.269 28 G CA -0.318 44.781 45.100 -0.002 0.000 0.919 28 G HN 0.472 nan 8.290 nan 0.000 0.574 29 P HA 0.141 nan 4.420 nan 0.000 0.242 29 P C 0.332 177.631 177.300 -0.001 0.000 1.198 29 P CA 0.891 63.989 63.100 -0.003 0.000 0.756 29 P CB -0.124 31.572 31.700 -0.006 0.000 0.911 30 V N 1.549 121.464 119.914 0.001 0.000 2.384 30 V HA 0.276 4.395 4.120 -0.002 0.000 0.287 30 V C 0.374 176.473 176.094 0.008 0.000 1.020 30 V CA -0.670 61.633 62.300 0.005 0.000 0.850 30 V CB 1.940 33.766 31.823 0.005 0.000 0.987 30 V HN -0.076 nan 8.190 nan 0.000 0.436 31 L N 4.676 125.908 121.223 0.014 0.000 2.329 31 L HA 0.603 4.942 4.340 -0.002 0.000 0.279 31 L C -0.135 176.751 176.870 0.026 0.000 1.014 31 L CA -0.562 54.287 54.840 0.015 0.000 0.814 31 L CB 1.739 43.806 42.059 0.014 0.000 1.257 31 L HN 0.559 nan 8.230 nan 0.000 0.424 32 N N 2.842 121.553 118.700 0.019 0.000 2.936 32 N HA 0.225 4.964 4.740 -0.002 0.000 0.243 32 N C -0.386 175.134 175.510 0.017 0.000 1.149 32 N CA -0.157 52.911 53.050 0.030 0.000 0.914 32 N CB 1.688 40.189 38.487 0.023 0.000 1.179 32 N HN 0.220 nan 8.380 nan 0.000 0.502 33 V N 0.845 120.778 119.914 0.031 0.000 3.051 33 V HA 0.460 4.579 4.120 -0.002 0.000 0.306 33 V C 0.684 176.758 176.094 -0.034 0.000 1.083 33 V CA -0.446 61.822 62.300 -0.053 0.000 1.104 33 V CB 1.214 33.000 31.823 -0.063 0.000 1.027 33 V HN 0.587 nan 8.190 nan 0.000 0.483 34 A N 3.273 125.978 122.820 -0.190 0.000 2.375 34 A HA 0.803 5.122 4.320 -0.002 0.000 0.291 34 A C -0.983 176.482 177.584 -0.198 0.000 1.160 34 A CA -0.417 51.579 52.037 -0.068 0.000 0.747 34 A CB 0.493 19.473 19.000 -0.034 0.000 1.170 34 A HN 0.501 nan 8.150 nan 0.000 0.458 35 F N 2.661 122.614 119.950 0.006 0.000 2.377 35 F HA 0.690 5.216 4.527 -0.002 0.000 0.335 35 F C -1.653 174.150 175.800 0.005 0.000 1.099 35 F CA -2.140 55.863 58.000 0.006 0.000 1.072 35 F CB 0.641 39.645 39.000 0.007 0.000 1.417 35 F HN 0.346 nan 8.300 nan 0.000 0.495 36 P HA 0.197 nan 4.420 nan 0.000 0.281 36 P C -2.360 175.002 177.300 0.103 0.000 1.264 36 P CA -1.643 61.527 63.100 0.117 0.000 0.824 36 P CB 0.951 32.704 31.700 0.088 0.000 1.092 37 P HA -0.160 nan 4.420 nan 0.000 0.224 37 P C 1.360 178.678 177.300 0.030 0.000 1.142 37 P CA 1.551 64.677 63.100 0.043 0.000 0.778 37 P CB -0.414 31.304 31.700 0.030 0.000 0.764 38 G N 0.308 109.130 108.800 0.036 0.000 2.471 38 G HA2 -0.041 3.918 3.960 -0.002 0.000 0.211 38 G HA3 -0.041 3.918 3.960 -0.002 0.000 0.211 38 G C 0.522 175.426 174.900 0.007 0.000 1.194 38 G CA -0.069 45.042 45.100 0.020 0.000 0.816 38 G HN 0.228 nan 8.290 nan 0.000 0.545 39 K N 0.717 121.136 120.400 0.032 0.000 2.412 39 K HA 0.405 4.724 4.320 -0.002 0.000 0.281 39 K C -0.737 175.785 176.600 -0.129 0.000 1.027 39 K CA 0.718 56.997 56.287 -0.013 0.000 0.989 39 K CB 0.636 33.208 32.500 0.121 0.000 0.935 39 K HN 0.176 nan 8.250 nan 0.000 0.475 40 M N 4.529 123.974 119.600 -0.259 0.000 2.197 40 M HA 0.184 4.663 4.480 -0.002 0.000 0.226 40 M C -2.497 173.580 176.300 -0.370 0.000 0.970 40 M CA -1.710 53.400 55.300 -0.318 0.000 1.036 40 M CB 1.776 34.287 32.600 -0.148 0.000 2.437 40 M HN 0.329 nan 8.290 nan 0.000 0.432 41 P HA 0.000 nan 4.420 nan 0.000 0.262 41 P C -0.766 176.420 177.300 -0.190 0.000 1.182 41 P CA 0.208 63.083 63.100 -0.374 0.000 0.761 41 P CB 0.413 31.852 31.700 -0.435 0.000 0.795 42 N N 2.343 120.976 118.700 -0.112 0.000 2.344 42 N HA 0.060 4.799 4.740 -0.002 0.000 0.236 42 N C 0.754 176.248 175.510 -0.026 0.000 1.279 42 N CA -0.052 52.958 53.050 -0.067 0.000 0.882 42 N CB 0.262 38.721 38.487 -0.047 0.000 1.110 42 N HN 0.402 nan 8.380 nan 0.000 0.436 43 I N 1.570 122.126 120.570 -0.023 0.000 2.692 43 I HA -0.165 4.004 4.170 -0.002 0.000 0.284 43 I C 0.457 176.674 176.117 0.166 0.000 1.159 43 I CA 0.224 61.552 61.300 0.048 0.000 1.423 43 I CB -0.145 37.820 38.000 -0.058 0.000 1.380 43 I HN 0.491 nan 8.210 nan 0.000 0.580 44 Y N 1.783 122.043 120.300 -0.066 0.000 4.897 44 Y HA -0.293 4.256 4.550 -0.001 0.000 0.263 44 Y C 0.569 176.491 175.900 0.036 0.000 0.945 44 Y CA 0.082 58.146 58.100 -0.060 0.000 1.858 44 Y CB -2.333 35.953 38.460 -0.289 0.000 1.296 44 Y HN 0.621 nan 8.280 nan 0.000 0.490 45 N N 0.942 119.731 118.700 0.149 0.000 2.470 45 N HA 0.526 5.265 4.740 -0.002 0.000 0.268 45 N C 0.136 175.694 175.510 0.080 0.000 1.136 45 N CA 0.693 53.799 53.050 0.093 0.000 0.961 45 N CB 0.729 39.235 38.487 0.033 0.000 1.067 45 N HN 0.379 nan 8.380 nan 0.000 0.468 46 A N 2.926 125.792 122.820 0.076 0.000 2.354 46 A HA 0.470 4.789 4.320 -0.002 0.000 0.269 46 A C -0.115 177.511 177.584 0.070 0.000 1.109 46 A CA -0.358 51.718 52.037 0.064 0.000 0.800 46 A CB 0.185 19.213 19.000 0.048 0.000 1.045 46 A HN 0.658 nan 8.150 nan 0.000 0.489 47 L N 1.538 122.812 121.223 0.084 0.000 2.332 47 L HA 0.655 4.994 4.340 -0.002 0.000 0.269 47 L C -0.417 176.498 176.870 0.075 0.000 1.016 47 L CA -0.602 54.305 54.840 0.112 0.000 0.809 47 L CB 1.673 43.835 42.059 0.172 0.000 1.280 47 L HN 0.613 nan 8.230 nan 0.000 0.447 48 I N 0.783 121.394 120.570 0.069 0.000 2.571 48 I HA 0.314 4.483 4.170 -0.002 0.000 0.289 48 I C -0.810 175.323 176.117 0.027 0.000 1.115 48 I CA -0.554 60.770 61.300 0.041 0.000 1.045 48 I CB 2.485 40.506 38.000 0.035 0.000 1.238 48 I HN 0.173 nan 8.210 nan 0.000 0.424 49 V N 6.756 126.679 119.914 0.014 0.000 2.716 49 V HA 0.320 4.439 4.120 -0.002 0.000 0.304 49 V C 0.869 176.962 176.094 -0.002 0.000 1.053 49 V CA -0.517 61.782 62.300 -0.001 0.000 0.984 49 V CB 1.630 33.449 31.823 -0.007 0.000 1.021 49 V HN 0.719 nan 8.190 nan 0.000 0.467 50 K N 1.749 122.144 120.400 -0.008 0.000 2.314 50 K HA 0.256 4.575 4.320 -0.002 0.000 0.198 50 K C 0.753 177.349 176.600 -0.007 0.000 1.045 50 K CA 0.696 56.979 56.287 -0.006 0.000 0.988 50 K CB 0.443 32.937 32.500 -0.009 0.000 0.783 50 K HN 0.836 nan 8.250 nan 0.000 0.484 51 G N 0.383 109.177 108.800 -0.009 0.000 2.571 51 G HA2 0.514 4.473 3.960 -0.002 0.000 0.304 51 G HA3 0.514 4.473 3.960 -0.002 0.000 0.304 51 G C -0.663 174.233 174.900 -0.007 0.000 1.314 51 G CA -0.439 44.656 45.100 -0.008 0.000 0.975 51 G HN 0.024 nan 8.290 nan 0.000 0.485 52 R N -0.238 120.259 120.500 -0.006 0.000 4.004 52 R HA 0.109 4.448 4.340 -0.002 0.000 0.094 52 R C -0.649 175.648 176.300 -0.005 0.000 0.751 52 R CA 0.019 56.116 56.100 -0.005 0.000 0.578 52 R CB -0.132 30.166 30.300 -0.004 0.000 0.697 52 R HN 0.680 nan 8.270 nan 0.000 0.350 53 D N 2.055 122.452 120.400 -0.004 0.000 2.382 53 D HA -0.010 4.629 4.640 -0.002 0.000 0.240 53 D C -0.641 175.657 176.300 -0.004 0.000 1.146 53 D CA 0.288 54.286 54.000 -0.004 0.000 0.897 53 D CB 0.557 41.355 40.800 -0.003 0.000 1.197 53 D HN 0.360 nan 8.370 nan 0.000 0.432 54 T N 0.537 115.089 114.554 -0.004 0.000 2.380 54 T HA 0.147 4.496 4.350 -0.002 0.000 0.190 54 T C 0.742 175.440 174.700 -0.003 0.000 1.176 54 T CA 0.784 62.882 62.100 -0.004 0.000 3.478 54 T CB -1.436 67.430 68.868 -0.003 0.000 0.761 54 T HN 0.917 nan 8.240 nan 0.000 0.276 55 A N 1.711 124.529 122.820 -0.004 0.000 1.900 55 A HA 0.288 4.607 4.320 -0.002 0.000 0.251 55 A C 0.932 178.514 177.584 -0.003 0.000 1.334 55 A CA 0.523 52.558 52.037 -0.003 0.000 0.728 55 A CB -1.343 17.655 19.000 -0.003 0.000 1.197 55 A HN 2.318 nan 8.150 nan 0.000 0.278 56 G N 1.043 109.841 108.800 -0.003 0.000 2.378 56 G HA2 0.641 4.601 3.960 -0.002 0.000 0.302 56 G HA3 0.641 4.601 3.960 -0.002 0.000 0.302 56 G C -1.196 173.702 174.900 -0.003 0.000 1.669 56 G CA -0.111 44.987 45.100 -0.003 0.000 0.920 56 G HN 1.636 nan 8.290 nan 0.000 0.697 57 Q N 1.447 121.246 119.800 -0.003 0.000 2.466 57 Q HA 0.635 4.974 4.340 -0.002 0.000 0.242 57 Q C -2.208 173.791 176.000 -0.002 0.000 1.046 57 Q CA -1.465 54.337 55.803 -0.003 0.000 0.841 57 Q CB 2.135 30.872 28.738 -0.003 0.000 1.193 57 Q HN 0.514 nan 8.270 nan 0.000 0.508 58 P HA 0.408 nan 4.420 nan 0.000 0.294 58 P C -0.914 176.387 177.300 0.001 0.000 1.325 58 P CA -0.945 62.155 63.100 -0.000 0.000 0.978 58 P CB 1.827 33.527 31.700 -0.001 0.000 1.288 59 M N 1.138 120.740 119.600 0.003 0.000 2.404 59 M HA 0.131 4.610 4.480 -0.002 0.000 0.271 59 M C 0.799 177.103 176.300 0.007 0.000 1.128 59 M CA -0.063 55.240 55.300 0.005 0.000 0.982 59 M CB -0.289 32.315 32.600 0.007 0.000 1.445 59 M HN 0.160 nan 8.290 nan 0.000 0.495 60 N N 0.196 118.899 118.700 0.005 0.000 2.192 60 N HA -0.098 4.641 4.740 -0.002 0.000 0.188 60 N C 0.243 175.757 175.510 0.008 0.000 1.013 60 N CA 0.910 53.964 53.050 0.006 0.000 0.863 60 N CB -0.428 38.062 38.487 0.004 0.000 0.990 60 N HN 0.229 nan 8.380 nan 0.000 0.430 61 V N 2.803 122.721 119.914 0.006 0.000 2.356 61 V HA -0.007 4.112 4.120 -0.002 0.000 0.244 61 V C 0.200 176.301 176.094 0.012 0.000 1.120 61 V CA 0.513 62.818 62.300 0.007 0.000 1.181 61 V CB -0.880 30.945 31.823 0.004 0.000 1.244 61 V HN 0.103 nan 8.190 nan 0.000 0.487 62 T N 4.107 118.670 114.554 0.014 0.000 2.823 62 T HA 0.555 4.904 4.350 -0.002 0.000 0.279 62 T C -0.133 174.578 174.700 0.019 0.000 0.998 62 T CA -0.373 61.738 62.100 0.019 0.000 0.994 62 T CB 1.317 70.195 68.868 0.016 0.000 0.960 62 T HN 0.623 nan 8.240 nan 0.000 0.448 63 C N 1.646 120.963 119.300 0.028 0.000 2.913 63 C HA 0.700 5.159 4.460 -0.002 0.000 0.322 63 C C -0.059 174.951 174.990 0.033 0.000 1.292 63 C CA -0.922 58.113 59.018 0.028 0.000 1.649 63 C CB 1.710 29.472 27.740 0.037 0.000 2.139 63 C HN 0.928 nan 8.230 nan 0.000 0.475 64 E N 0.623 120.835 120.200 0.021 0.000 2.191 64 E HA 0.496 4.845 4.350 -0.002 0.000 0.263 64 E C -1.221 175.395 176.600 0.026 0.000 0.881 64 E CA -0.226 56.184 56.400 0.016 0.000 0.757 64 E CB 1.522 31.204 29.700 -0.031 0.000 1.147 64 E HN 0.498 nan 8.360 nan 0.000 0.414 65 V N 4.560 124.510 119.914 0.060 0.000 2.585 65 V HA -0.041 4.078 4.120 -0.002 0.000 0.296 65 V C 0.823 176.978 176.094 0.102 0.000 1.035 65 V CA 0.839 63.184 62.300 0.077 0.000 1.084 65 V CB 1.090 32.951 31.823 0.063 0.000 0.953 65 V HN 0.847 nan 8.190 nan 0.000 0.483 66 Q N 2.869 122.726 119.800 0.096 0.000 2.081 66 Q HA 0.318 4.657 4.340 -0.002 0.000 0.220 66 Q C -0.302 175.767 176.000 0.115 0.000 0.775 66 Q CA 0.000 55.889 55.803 0.142 0.000 0.983 66 Q CB 1.458 30.236 28.738 0.066 0.000 1.188 66 Q HN 0.804 nan 8.270 nan 0.000 0.458 67 Q N 0.482 120.327 119.800 0.075 0.000 2.438 67 Q HA 0.370 4.709 4.340 -0.002 0.000 0.272 67 Q C -1.378 174.645 176.000 0.038 0.000 0.994 67 Q CA -0.308 55.525 55.803 0.049 0.000 0.887 67 Q CB 2.062 30.826 28.738 0.044 0.000 1.432 67 Q HN 0.098 nan 8.270 nan 0.000 0.392 68 L N 3.889 125.125 121.223 0.022 0.000 2.589 68 L HA 0.264 4.603 4.340 -0.002 0.000 0.244 68 L C 1.178 178.061 176.870 0.022 0.000 1.159 68 L CA -0.068 54.782 54.840 0.018 0.000 1.074 68 L CB 0.115 42.171 42.059 -0.004 0.000 1.391 68 L HN 0.659 nan 8.230 nan 0.000 0.423 69 L N 1.507 122.750 121.223 0.033 0.000 2.369 69 L HA -0.178 4.161 4.340 -0.002 0.000 0.220 69 L C 1.299 178.184 176.870 0.024 0.000 1.119 69 L CA 1.051 55.909 54.840 0.029 0.000 0.780 69 L CB -1.111 40.969 42.059 0.035 0.000 0.906 69 L HN 0.809 nan 8.230 nan 0.000 0.442 70 G N -0.873 107.942 108.800 0.026 0.000 2.756 70 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.678 70 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.678 70 G C 0.176 175.094 174.900 0.029 0.000 1.349 70 G CA -0.286 44.827 45.100 0.021 0.000 0.847 70 G HN 0.268 nan 8.290 nan 0.000 0.548 71 N N 0.147 118.862 118.700 0.025 0.000 2.776 71 N HA -0.204 4.535 4.740 -0.002 0.000 0.249 71 N C 0.507 176.042 175.510 0.041 0.000 1.111 71 N CA 1.561 54.628 53.050 0.028 0.000 0.711 71 N CB -0.964 37.537 38.487 0.024 0.000 1.065 71 N HN 1.575 nan 8.380 nan 0.000 0.556 72 N N -0.995 117.735 118.700 0.049 0.000 2.681 72 N HA -0.225 4.514 4.740 -0.002 0.000 0.259 72 N C -0.263 175.313 175.510 0.111 0.000 1.066 72 N CA 1.393 54.490 53.050 0.078 0.000 0.717 72 N CB -0.803 37.727 38.487 0.072 0.000 0.885 72 N HN 0.701 nan 8.380 nan 0.000 0.547 73 R N -0.352 120.215 120.500 0.111 0.000 2.560 73 R HA 0.386 4.726 4.340 -0.002 0.000 0.267 73 R C -0.870 175.505 176.300 0.126 0.000 1.150 73 R CA -0.725 55.455 56.100 0.134 0.000 0.997 73 R CB 1.238 31.585 30.300 0.079 0.000 1.250 73 R HN 0.065 nan 8.270 nan 0.000 0.433 74 V N 1.136 121.163 119.914 0.188 0.000 2.732 74 V HA 0.733 4.852 4.120 -0.002 0.000 0.310 74 V C -0.235 175.932 176.094 0.123 0.000 1.053 74 V CA -0.868 61.516 62.300 0.140 0.000 0.957 74 V CB 1.756 33.672 31.823 0.155 0.000 1.018 74 V HN 0.860 nan 8.190 nan 0.000 0.452 75 R N 2.187 122.738 120.500 0.085 0.000 2.782 75 R HA 0.919 5.258 4.340 -0.002 0.000 0.258 75 R C -0.539 175.803 176.300 0.069 0.000 1.055 75 R CA 0.136 56.276 56.100 0.067 0.000 1.065 75 R CB 1.856 32.184 30.300 0.047 0.000 1.172 75 R HN 1.440 nan 8.270 nan 0.000 0.510 76 A N 1.260 124.111 122.820 0.052 0.000 2.599 76 A HA 0.466 4.785 4.320 -0.002 0.000 0.294 76 A C -1.806 175.792 177.584 0.023 0.000 1.055 76 A CA -0.668 51.396 52.037 0.044 0.000 0.683 76 A CB 1.556 20.595 19.000 0.066 0.000 1.278 76 A HN 0.412 nan 8.150 nan 0.000 0.412 77 V N 1.090 121.010 119.914 0.009 0.000 2.513 77 V HA 0.719 4.838 4.120 -0.002 0.000 0.299 77 V C 0.743 176.838 176.094 0.001 0.000 1.035 77 V CA -0.032 62.268 62.300 -0.000 0.000 0.889 77 V CB 1.535 33.349 31.823 -0.015 0.000 0.988 77 V HN 1.602 nan 8.190 nan 0.000 0.440 78 A N 5.432 128.253 122.820 0.003 0.000 2.302 78 A HA 0.621 4.940 4.320 -0.002 0.000 0.285 78 A C 0.717 178.301 177.584 0.000 0.000 1.105 78 A CA -0.466 51.574 52.037 0.005 0.000 0.816 78 A CB 0.574 19.577 19.000 0.005 0.000 1.067 78 A HN 0.777 nan 8.150 nan 0.000 0.489 79 M N 0.874 120.476 119.600 0.002 0.000 2.495 79 M HA 0.162 4.641 4.480 -0.002 0.000 0.237 79 M C 0.109 176.413 176.300 0.005 0.000 1.131 79 M CA 0.505 55.806 55.300 0.002 0.000 1.032 79 M CB -1.217 31.384 32.600 0.001 0.000 1.513 79 M HN 0.511 nan 8.290 nan 0.000 0.488 80 S N 0.361 116.064 115.700 0.005 0.000 2.634 80 S HA 0.757 5.226 4.470 -0.002 0.000 0.296 80 S C -0.347 174.255 174.600 0.003 0.000 1.104 80 S CA -1.014 57.189 58.200 0.005 0.000 0.920 80 S CB 2.288 65.491 63.200 0.006 0.000 1.111 80 S HN 0.329 nan 8.310 nan 0.000 0.493 81 A N 1.552 124.373 122.820 0.002 0.000 2.492 81 A HA 0.403 4.722 4.320 -0.002 0.000 0.254 81 A C 1.163 178.747 177.584 -0.000 0.000 1.091 81 A CA 0.003 52.040 52.037 0.000 0.000 0.768 81 A CB -0.492 18.507 19.000 -0.000 0.000 1.028 81 A HN 0.925 nan 8.150 nan 0.000 0.498 82 T N 0.112 114.665 114.554 -0.001 0.000 3.324 82 T HA 0.121 4.470 4.350 -0.002 0.000 0.250 82 T C -0.205 174.494 174.700 -0.003 0.000 1.059 82 T CA -0.274 61.825 62.100 -0.002 0.000 0.951 82 T CB -0.608 68.258 68.868 -0.002 0.000 1.030 82 T HN 0.542 nan 8.240 nan 0.000 0.576 83 D N 1.479 121.877 120.400 -0.003 0.000 2.348 83 D HA 0.447 5.086 4.640 -0.002 0.000 0.253 83 D C 1.423 177.721 176.300 -0.004 0.000 1.161 83 D CA 0.901 54.899 54.000 -0.003 0.000 0.876 83 D CB 1.057 41.855 40.800 -0.003 0.000 1.160 83 D HN 0.433 nan 8.370 nan 0.000 0.459 84 G N 1.738 110.535 108.800 -0.005 0.000 2.238 84 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.217 84 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.217 84 G C 0.412 175.308 174.900 -0.006 0.000 0.996 84 G CA -0.455 44.642 45.100 -0.005 0.000 0.632 84 G HN 0.455 nan 8.290 nan 0.000 0.503 85 L N 1.563 122.781 121.223 -0.007 0.000 2.467 85 L HA 0.526 4.865 4.340 -0.002 0.000 0.270 85 L C 0.669 177.533 176.870 -0.011 0.000 1.205 85 L CA 0.473 55.308 54.840 -0.009 0.000 0.828 85 L CB 0.777 42.831 42.059 -0.009 0.000 1.101 85 L HN 0.202 nan 8.230 nan 0.000 0.479 86 T N 1.129 115.674 114.554 -0.014 0.000 2.906 86 T HA 0.409 4.758 4.350 -0.002 0.000 0.295 86 T C -0.267 174.421 174.700 -0.021 0.000 1.075 86 T CA -0.851 61.240 62.100 -0.015 0.000 1.005 86 T CB 1.814 70.674 68.868 -0.015 0.000 1.136 86 T HN 0.430 nan 8.240 nan 0.000 0.498 87 R N 0.272 120.760 120.500 -0.020 0.000 2.490 87 R HA 0.465 4.804 4.340 -0.002 0.000 0.280 87 R C 1.342 177.624 176.300 -0.030 0.000 1.077 87 R CA 1.288 57.372 56.100 -0.026 0.000 1.065 87 R CB 0.376 30.664 30.300 -0.021 0.000 1.003 87 R HN 1.037 nan 8.270 nan 0.000 0.470 88 G N 2.036 110.812 108.800 -0.041 0.000 2.254 88 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.225 88 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.225 88 G C 0.263 175.133 174.900 -0.049 0.000 1.003 88 G CA -0.392 44.682 45.100 -0.043 0.000 0.622 88 G HN 0.475 nan 8.290 nan 0.000 0.507 89 M N 1.822 121.394 119.600 -0.046 0.000 2.260 89 M HA 0.205 4.684 4.480 -0.002 0.000 0.348 89 M C 0.504 176.765 176.300 -0.066 0.000 1.342 89 M CA 0.642 55.915 55.300 -0.045 0.000 1.040 89 M CB 0.235 32.814 32.600 -0.035 0.000 1.810 89 M HN 0.275 nan 8.290 nan 0.000 0.453 90 E N 2.005 122.169 120.200 -0.060 0.000 2.376 90 E HA 0.224 4.573 4.350 -0.002 0.000 0.266 90 E C -0.899 175.655 176.600 -0.077 0.000 1.009 90 E CA -0.239 56.115 56.400 -0.076 0.000 0.902 90 E CB 0.777 30.448 29.700 -0.049 0.000 0.972 90 E HN 0.351 nan 8.360 nan 0.000 0.439 91 V N 4.218 124.056 119.914 -0.127 0.000 2.815 91 V HA 0.541 4.660 4.120 -0.002 0.000 0.314 91 V C -0.125 175.951 176.094 -0.030 0.000 1.064 91 V CA -0.925 61.321 62.300 -0.091 0.000 0.952 91 V CB 1.822 33.549 31.823 -0.160 0.000 1.020 91 V HN 0.587 nan 8.190 nan 0.000 0.439 92 I N 1.481 122.093 120.570 0.070 0.000 2.582 92 I HA 0.521 4.690 4.170 -0.002 0.000 0.292 92 I C -1.272 174.959 176.117 0.190 0.000 1.066 92 I CA -0.441 60.938 61.300 0.132 0.000 1.053 92 I CB 2.185 40.228 38.000 0.073 0.000 1.241 92 I HN 0.774 nan 8.210 nan 0.000 0.421 93 D N 4.577 125.112 120.400 0.225 0.000 2.365 93 D HA 0.126 4.766 4.640 -0.002 0.000 0.237 93 D C 0.952 177.297 176.300 0.074 0.000 1.190 93 D CA 0.165 54.248 54.000 0.138 0.000 0.867 93 D CB 1.439 42.275 40.800 0.061 0.000 1.050 93 D HN 0.579 nan 8.370 nan 0.000 0.491 94 T N 2.744 117.335 114.554 0.061 0.000 2.897 94 T HA -0.015 4.335 4.350 -0.002 0.000 0.271 94 T C 1.431 176.149 174.700 0.029 0.000 1.084 94 T CA 1.679 63.804 62.100 0.043 0.000 1.123 94 T CB -0.477 68.414 68.868 0.039 0.000 0.865 94 T HN 0.808 nan 8.240 nan 0.000 0.496 95 G N -0.285 108.527 108.800 0.021 0.000 2.144 95 G HA2 0.167 4.126 3.960 -0.002 0.000 0.218 95 G HA3 0.167 4.126 3.960 -0.002 0.000 0.218 95 G C 0.185 175.091 174.900 0.011 0.000 0.988 95 G CA 0.040 45.146 45.100 0.009 0.000 0.659 95 G HN 1.231 nan 8.290 nan 0.000 0.522 96 A N -1.164 121.669 122.820 0.021 0.000 2.410 96 A HA 0.894 5.213 4.320 -0.002 0.000 0.300 96 A C -3.061 174.555 177.584 0.052 0.000 1.077 96 A CA -0.095 51.962 52.037 0.032 0.000 0.610 96 A CB 0.722 19.738 19.000 0.027 0.000 1.371 96 A HN 0.418 nan 8.150 nan 0.000 0.510 97 P HA 0.487 nan 4.420 nan 0.000 0.281 97 P C -0.499 176.834 177.300 0.055 0.000 1.281 97 P CA -0.542 62.623 63.100 0.107 0.000 0.811 97 P CB 0.562 32.388 31.700 0.211 0.000 1.154 98 L N 0.993 122.238 121.223 0.037 0.000 2.615 98 L HA -0.016 4.323 4.340 -0.002 0.000 0.271 98 L C 0.669 177.520 176.870 -0.031 0.000 1.183 98 L CA 0.548 55.385 54.840 -0.006 0.000 0.933 98 L CB -0.256 41.784 42.059 -0.031 0.000 1.199 98 L HN 0.402 nan 8.230 nan 0.000 0.487 99 S N 3.526 119.213 115.700 -0.022 0.000 2.410 99 S HA 0.509 4.978 4.470 -0.002 0.000 0.304 99 S C -0.329 174.243 174.600 -0.046 0.000 1.095 99 S CA -1.004 57.175 58.200 -0.035 0.000 1.089 99 S CB 1.303 64.492 63.200 -0.020 0.000 0.968 99 S HN 0.242 nan 8.310 nan 0.000 0.480 100 V N 5.822 125.689 119.914 -0.079 0.000 2.481 100 V HA 0.460 4.579 4.120 -0.002 0.000 0.286 100 V C -1.927 174.093 176.094 -0.124 0.000 1.042 100 V CA -2.064 60.179 62.300 -0.096 0.000 0.928 100 V CB 1.435 33.172 31.823 -0.144 0.000 0.986 100 V HN 0.767 nan 8.190 nan 0.000 0.462 101 P HA 0.259 nan 4.420 nan 0.000 0.276 101 P C -0.776 176.372 177.300 -0.254 0.000 1.243 101 P CA 0.148 63.174 63.100 -0.123 0.000 0.768 101 P CB 1.464 33.151 31.700 -0.022 0.000 0.856 102 V N 0.185 119.902 119.914 -0.328 0.000 3.126 102 V HA 1.014 5.133 4.120 -0.002 0.000 0.314 102 V C 0.132 175.772 176.094 -0.757 0.000 1.138 102 V CA -0.214 61.764 62.300 -0.536 0.000 1.034 102 V CB 1.236 32.727 31.823 -0.553 0.000 1.075 102 V HN 0.974 nan 8.190 nan 0.000 0.442 103 G N 0.663 108.850 108.800 -1.023 0.000 2.343 103 G HA2 0.361 4.320 3.960 -0.002 0.000 0.562 103 G HA3 0.361 4.320 3.960 -0.002 0.000 0.562 103 G C 0.499 175.337 174.900 -0.104 0.000 1.269 103 G CA -0.178 44.330 45.100 -0.987 0.000 1.011 103 G HN 1.773 nan 8.290 nan 0.000 0.498 104 G N 0.378 109.309 108.800 0.218 0.000 2.450 104 G HA2 0.110 4.069 3.960 -0.002 0.000 0.220 104 G HA3 0.110 4.069 3.960 -0.002 0.000 0.220 104 G C -0.079 174.942 174.900 0.201 0.000 1.130 104 G CA 1.771 47.064 45.100 0.321 0.000 0.760 104 G HN 0.801 nan 8.290 nan 0.000 0.557 105 P HA 0.129 nan 4.420 nan 0.000 0.225 105 P C 0.341 177.764 177.300 0.205 0.000 1.768 105 P CA 0.819 63.996 63.100 0.128 0.000 0.943 105 P CB -0.167 31.581 31.700 0.080 0.000 1.936 106 T N -3.741 110.971 114.554 0.263 0.000 3.100 106 T HA 0.139 4.488 4.350 -0.002 0.000 0.255 106 T C 0.609 175.577 174.700 0.447 0.000 0.893 106 T CA -0.086 62.269 62.100 0.426 0.000 0.882 106 T CB -0.445 68.412 68.868 -0.019 0.000 1.266 106 T HN -0.034 nan 8.240 nan 0.000 0.528 107 L N 2.580 123.989 121.223 0.309 0.000 2.490 107 L HA 0.494 4.833 4.340 -0.002 0.000 0.274 107 L C 1.757 178.749 176.870 0.203 0.000 1.201 107 L CA 1.381 56.364 54.840 0.238 0.000 0.869 107 L CB 0.113 42.261 42.059 0.148 0.000 1.123 107 L HN 0.628 nan 8.230 nan 0.000 0.484 108 G N 1.149 110.065 108.800 0.193 0.000 2.179 108 G HA2 -0.219 3.740 3.960 -0.002 0.000 0.260 108 G HA3 -0.219 3.740 3.960 -0.002 0.000 0.260 108 G C 0.475 175.486 174.900 0.184 0.000 0.977 108 G CA -0.193 45.008 45.100 0.169 0.000 0.641 108 G HN 0.458 nan 8.290 nan 0.000 0.533 109 R N -0.478 120.136 120.500 0.190 0.000 2.797 109 R HA 0.820 5.159 4.340 -0.002 0.000 0.251 109 R C 0.033 176.357 176.300 0.041 0.000 1.107 109 R CA -0.958 55.167 56.100 0.041 0.000 1.084 109 R CB 0.766 30.970 30.300 -0.160 0.000 1.205 109 R HN 0.253 nan 8.270 nan 0.000 0.515 110 I N 1.325 121.783 120.570 -0.187 0.000 2.436 110 I HA 0.355 4.524 4.170 -0.002 0.000 0.289 110 I C -0.804 175.155 176.117 -0.263 0.000 1.010 110 I CA -0.517 60.737 61.300 -0.077 0.000 1.098 110 I CB 1.228 39.168 38.000 -0.100 0.000 1.266 110 I HN 0.223 nan 8.210 nan 0.000 0.434 111 F N 3.796 123.761 119.950 0.025 0.000 2.541 111 F HA 0.459 4.986 4.527 -0.002 0.000 0.331 111 F C 0.534 176.349 175.800 0.024 0.000 1.057 111 F CA -0.616 57.392 58.000 0.013 0.000 0.975 111 F CB 0.981 39.977 39.000 -0.006 0.000 1.246 111 F HN 0.375 nan 8.300 nan 0.000 0.484 112 N N -0.824 118.004 118.700 0.214 0.000 2.538 112 N HA 0.334 5.073 4.740 -0.002 0.000 0.292 112 N C 0.642 176.217 175.510 0.108 0.000 1.262 112 N CA -0.417 52.707 53.050 0.123 0.000 0.976 112 N CB 1.212 39.746 38.487 0.079 0.000 1.161 112 N HN 0.290 nan 8.380 nan 0.000 0.598 113 V N 0.504 120.455 119.914 0.062 0.000 3.041 113 V HA -0.001 4.118 4.120 -0.002 0.000 0.260 113 V C 1.358 177.460 176.094 0.013 0.000 1.105 113 V CA 1.149 63.465 62.300 0.027 0.000 1.125 113 V CB -0.619 31.213 31.823 0.016 0.000 0.730 113 V HN 0.469 nan 8.190 nan 0.000 0.479 114 L N 0.812 122.055 121.223 0.033 0.000 2.741 114 L HA 0.484 4.823 4.340 -0.002 0.000 0.237 114 L C 1.503 178.404 176.870 0.053 0.000 1.178 114 L CA 0.456 55.312 54.840 0.025 0.000 0.973 114 L CB -0.315 41.758 42.059 0.023 0.000 1.255 114 L HN 0.442 nan 8.230 nan 0.000 0.498 115 G N 0.964 109.824 108.800 0.101 0.000 2.273 115 G HA2 -0.259 3.700 3.960 -0.002 0.000 0.280 115 G HA3 -0.259 3.700 3.960 -0.002 0.000 0.280 115 G C -0.080 174.974 174.900 0.256 0.000 1.047 115 G CA 0.090 45.319 45.100 0.215 0.000 0.869 115 G HN 0.544 nan 8.290 nan 0.000 0.502 116 E N 0.944 121.237 120.200 0.155 0.000 2.179 116 E HA 0.400 4.749 4.350 -0.002 0.000 0.275 116 E C -2.336 174.232 176.600 -0.054 0.000 0.945 116 E CA -2.244 54.186 56.400 0.051 0.000 0.792 116 E CB 2.148 31.863 29.700 0.025 0.000 1.125 116 E HN 0.201 nan 8.360 nan 0.000 0.397 117 P HA -0.012 nan 4.420 nan 0.000 0.271 117 P C 0.097 177.295 177.300 -0.170 0.000 1.226 117 P CA 0.055 62.973 63.100 -0.304 0.000 0.765 117 P CB 0.912 32.449 31.700 -0.272 0.000 0.835 118 V N 2.322 122.134 119.914 -0.170 0.000 3.176 118 V HA 0.035 4.154 4.120 -0.002 0.000 0.332 118 V C 1.221 177.243 176.094 -0.120 0.000 1.414 118 V CA 0.380 62.620 62.300 -0.100 0.000 1.133 118 V CB -0.161 31.633 31.823 -0.049 0.000 1.088 118 V HN 0.546 nan 8.190 nan 0.000 0.473 119 D N -0.967 119.342 120.400 -0.152 0.000 2.369 119 D HA 0.028 4.667 4.640 -0.002 0.000 0.211 119 D C 0.317 176.575 176.300 -0.071 0.000 1.077 119 D CA -0.440 53.477 54.000 -0.139 0.000 0.842 119 D CB -0.457 40.251 40.800 -0.152 0.000 0.947 119 D HN 0.258 nan 8.370 nan 0.000 0.509 120 N N 0.208 118.867 118.700 -0.068 0.000 2.667 120 N HA -0.176 4.563 4.740 -0.002 0.000 0.263 120 N C -0.604 174.893 175.510 -0.021 0.000 1.038 120 N CA 0.477 53.504 53.050 -0.039 0.000 0.749 120 N CB -1.241 37.232 38.487 -0.024 0.000 0.892 120 N HN 0.445 nan 8.380 nan 0.000 0.546 121 L N -0.518 120.686 121.223 -0.032 0.000 3.425 121 L HA 0.366 4.705 4.340 -0.002 0.000 0.330 121 L C 0.367 177.224 176.870 -0.021 0.000 1.317 121 L CA -0.503 54.329 54.840 -0.014 0.000 0.940 121 L CB 0.269 42.327 42.059 -0.002 0.000 1.378 121 L HN 0.310 nan 8.230 nan 0.000 0.611 122 R N -0.462 120.022 120.500 -0.027 0.000 4.229 122 R HA -0.080 4.259 4.340 -0.002 0.000 0.322 122 R C -2.706 173.575 176.300 -0.032 0.000 0.276 122 R CA -0.481 55.606 56.100 -0.022 0.000 1.068 122 R CB -1.405 28.890 30.300 -0.009 0.000 1.230 122 R HN 0.010 nan 8.270 nan 0.000 0.437 123 P HA 0.123 nan 4.420 nan 0.000 0.272 123 P C -0.539 176.754 177.300 -0.013 0.000 1.240 123 P CA -0.335 62.754 63.100 -0.019 0.000 0.791 123 P CB 0.482 32.179 31.700 -0.005 0.000 0.978 124 V N 2.282 122.196 119.914 -0.000 0.000 2.368 124 V HA 0.069 4.188 4.120 -0.002 0.000 0.266 124 V C 0.516 176.641 176.094 0.052 0.000 1.045 124 V CA -0.071 62.253 62.300 0.040 0.000 0.899 124 V CB 0.156 32.047 31.823 0.114 0.000 1.006 124 V HN 0.457 nan 8.190 nan 0.000 0.470 125 D N 4.357 124.785 120.400 0.047 0.000 2.551 125 D HA 0.148 4.787 4.640 -0.002 0.000 0.223 125 D C 0.841 177.163 176.300 0.037 0.000 1.144 125 D CA 0.092 54.114 54.000 0.036 0.000 1.025 125 D CB 0.721 41.540 40.800 0.032 0.000 1.085 125 D HN 0.684 nan 8.370 nan 0.000 0.506 126 T N -1.629 112.941 114.554 0.027 0.000 2.902 126 T HA 0.335 4.684 4.350 -0.002 0.000 0.280 126 T C 1.379 176.071 174.700 -0.013 0.000 0.992 126 T CA -0.834 61.265 62.100 -0.002 0.000 1.015 126 T CB 2.371 71.222 68.868 -0.028 0.000 1.044 126 T HN 0.050 nan 8.240 nan 0.000 0.520 127 R N 0.352 120.831 120.500 -0.034 0.000 2.064 127 R HA 0.201 4.540 4.340 -0.002 0.000 0.221 127 R C 0.369 176.654 176.300 -0.025 0.000 1.136 127 R CA 0.774 56.864 56.100 -0.016 0.000 0.980 127 R CB -0.365 29.935 30.300 -0.000 0.000 0.876 127 R HN 0.698 nan 8.270 nan 0.000 0.437 128 T N 0.600 115.118 114.554 -0.061 0.000 2.900 128 T HA 0.273 4.622 4.350 -0.002 0.000 0.303 128 T C -0.203 174.442 174.700 -0.092 0.000 1.142 128 T CA -0.751 61.317 62.100 -0.054 0.000 1.007 128 T CB 2.563 71.416 68.868 -0.024 0.000 1.156 128 T HN 0.166 nan 8.240 nan 0.000 0.490 129 T N -0.551 113.965 114.554 -0.064 0.000 2.814 129 T HA 0.752 5.101 4.350 -0.002 0.000 0.284 129 T C 0.003 174.656 174.700 -0.079 0.000 0.998 129 T CA -0.850 61.206 62.100 -0.075 0.000 0.935 129 T CB 1.162 70.005 68.868 -0.043 0.000 1.167 129 T HN 0.638 nan 8.240 nan 0.000 0.545 130 S N 1.323 116.974 115.700 -0.082 0.000 2.548 130 S HA 0.449 4.918 4.470 -0.002 0.000 0.278 130 S C -3.201 171.358 174.600 -0.069 0.000 1.150 130 S CA -1.184 56.973 58.200 -0.071 0.000 0.907 130 S CB 1.643 64.786 63.200 -0.096 0.000 1.108 130 S HN 0.659 nan 8.310 nan 0.000 0.459 131 P HA 0.284 nan 4.420 nan 0.000 0.276 131 P C 1.143 178.398 177.300 -0.075 0.000 1.243 131 P CA -0.502 62.577 63.100 -0.035 0.000 0.768 131 P CB 0.216 31.926 31.700 0.017 0.000 0.856 132 I N -0.113 120.362 120.570 -0.159 0.000 3.083 132 I HA -0.009 4.160 4.170 -0.002 0.000 0.273 132 I C 0.298 176.257 176.117 -0.264 0.000 1.297 132 I CA 0.735 61.886 61.300 -0.249 0.000 1.452 132 I CB -0.865 36.926 38.000 -0.349 0.000 1.078 132 I HN 0.258 nan 8.210 nan 0.000 0.484 133 H N 3.914 122.996 119.070 0.020 0.000 2.690 133 H HA 0.580 5.135 4.556 -0.001 0.000 0.280 133 H C -0.539 174.807 175.328 0.030 0.000 1.138 133 H CA -0.331 55.752 56.048 0.059 0.000 1.241 133 H CB 0.527 30.372 29.762 0.138 0.000 1.394 133 H HN 0.325 nan 8.280 nan 0.000 0.489 134 R N 0.965 121.535 120.500 0.118 0.000 2.744 134 R HA 0.292 4.631 4.340 -0.002 0.000 0.279 134 R C -0.193 176.135 176.300 0.046 0.000 0.977 134 R CA -0.884 55.252 56.100 0.059 0.000 0.906 134 R CB 2.110 32.422 30.300 0.020 0.000 1.197 134 R HN 0.515 nan 8.270 nan 0.000 0.463 135 S N 1.237 116.955 115.700 0.029 0.000 2.516 135 S HA 0.316 4.785 4.470 -0.002 0.000 0.282 135 S C 0.664 175.273 174.600 0.015 0.000 1.286 135 S CA -0.793 57.419 58.200 0.020 0.000 1.066 135 S CB 1.210 64.416 63.200 0.011 0.000 0.884 135 S HN 0.701 nan 8.310 nan 0.000 0.491 136 A N 4.397 127.227 122.820 0.017 0.000 2.482 136 A HA 0.424 4.743 4.320 -0.002 0.000 0.249 136 A C -2.027 175.566 177.584 0.016 0.000 1.114 136 A CA -0.934 51.112 52.037 0.014 0.000 0.797 136 A CB -1.236 17.777 19.000 0.022 0.000 1.067 136 A HN 0.719 nan 8.150 nan 0.000 0.514 137 P HA 0.370 nan 4.420 nan 0.000 0.271 137 P C -0.272 177.050 177.300 0.036 0.000 1.218 137 P CA 0.323 63.431 63.100 0.012 0.000 0.780 137 P CB 0.609 32.308 31.700 -0.001 0.000 0.901 138 A N 2.096 124.938 122.820 0.037 0.000 2.366 138 A HA 0.101 4.420 4.320 -0.002 0.000 0.249 138 A C 0.920 178.573 177.584 0.115 0.000 1.084 138 A CA -0.227 51.854 52.037 0.074 0.000 0.794 138 A CB -0.588 18.446 19.000 0.056 0.000 1.034 138 A HN 0.630 nan 8.150 nan 0.000 0.491 139 F N 1.270 121.216 119.950 -0.007 0.000 2.287 139 F HA -0.131 4.395 4.527 -0.001 0.000 0.301 139 F C 1.842 177.637 175.800 -0.009 0.000 1.069 139 F CA 2.411 60.407 58.000 -0.007 0.000 1.372 139 F CB -0.134 38.863 39.000 -0.006 0.000 1.056 139 F HN 0.452 nan 8.300 nan 0.000 0.523 140 T N -0.292 114.243 114.554 -0.032 0.000 3.163 140 T HA 0.051 4.400 4.350 -0.002 0.000 0.252 140 T C 1.059 175.695 174.700 -0.106 0.000 1.056 140 T CA 0.117 62.142 62.100 -0.124 0.000 0.947 140 T CB -0.114 68.738 68.868 -0.025 0.000 1.016 140 T HN 0.407 nan 8.240 nan 0.000 0.554 141 Q N 0.597 120.344 119.800 -0.087 0.000 2.179 141 Q HA 0.367 4.706 4.340 -0.002 0.000 0.213 141 Q C -0.005 175.945 176.000 -0.083 0.000 0.833 141 Q CA -0.130 55.634 55.803 -0.066 0.000 0.990 141 Q CB 0.507 29.225 28.738 -0.033 0.000 1.132 141 Q HN 0.463 nan 8.270 nan 0.000 0.493 142 L N 0.037 121.179 121.223 -0.134 0.000 2.440 142 L HA 0.480 4.819 4.340 -0.002 0.000 0.262 142 L C 0.133 176.925 176.870 -0.130 0.000 1.072 142 L CA -0.637 54.125 54.840 -0.130 0.000 0.798 142 L CB 0.739 42.695 42.059 -0.171 0.000 1.307 142 L HN -0.030 nan 8.230 nan 0.000 0.475 143 D N -1.650 118.687 120.400 -0.104 0.000 2.579 143 D HA 0.216 4.855 4.640 -0.002 0.000 0.257 143 D C -0.416 175.838 176.300 -0.076 0.000 1.176 143 D CA -0.250 53.697 54.000 -0.088 0.000 0.914 143 D CB 2.555 43.315 40.800 -0.067 0.000 1.431 143 D HN 0.469 nan 8.370 nan 0.000 0.454 144 T N -0.589 113.927 114.554 -0.064 0.000 3.058 144 T HA 0.103 4.452 4.350 -0.002 0.000 0.278 144 T C -0.026 174.651 174.700 -0.038 0.000 0.974 144 T CA -0.104 61.966 62.100 -0.050 0.000 0.893 144 T CB 0.142 68.980 68.868 -0.050 0.000 1.138 144 T HN 0.097 nan 8.240 nan 0.000 0.529 145 K N 1.796 122.174 120.400 -0.038 0.000 2.448 145 K HA 0.299 4.618 4.320 -0.002 0.000 0.278 145 K C -0.644 175.941 176.600 -0.026 0.000 1.009 145 K CA 0.316 56.587 56.287 -0.028 0.000 0.995 145 K CB 0.592 33.077 32.500 -0.025 0.000 0.917 145 K HN 0.324 nan 8.250 nan 0.000 0.481 146 L N 2.303 123.517 121.223 -0.016 0.000 2.417 146 L HA 0.223 4.562 4.340 -0.002 0.000 0.259 146 L C -0.133 176.743 176.870 0.009 0.000 1.023 146 L CA -0.522 54.312 54.840 -0.010 0.000 0.901 146 L CB 1.486 43.539 42.059 -0.010 0.000 1.227 146 L HN 0.488 nan 8.230 nan 0.000 0.454 147 S N 2.367 118.076 115.700 0.015 0.000 2.608 147 S HA 0.640 5.109 4.470 -0.002 0.000 0.291 147 S C -0.178 174.474 174.600 0.087 0.000 1.146 147 S CA -0.492 57.738 58.200 0.050 0.000 1.043 147 S CB 1.548 64.782 63.200 0.056 0.000 1.037 147 S HN 0.476 nan 8.310 nan 0.000 0.520 148 I N 2.140 122.790 120.570 0.133 0.000 3.156 148 I HA 0.443 4.612 4.170 -0.002 0.000 0.306 148 I C -1.046 175.273 176.117 0.335 0.000 1.048 148 I CA -0.497 60.920 61.300 0.194 0.000 1.207 148 I CB 0.695 38.797 38.000 0.169 0.000 1.456 148 I HN 0.679 nan 8.210 nan 0.000 0.616 149 F N 3.291 123.288 119.950 0.077 0.000 2.872 149 F HA 0.302 4.829 4.527 -0.001 0.000 0.365 149 F C -0.431 175.351 175.800 -0.030 0.000 1.296 149 F CA -0.789 57.245 58.000 0.055 0.000 1.199 149 F CB 0.418 39.508 39.000 0.150 0.000 1.687 149 F HN 0.369 nan 8.300 nan 0.000 0.604 150 E N 1.306 121.491 120.200 -0.026 0.000 2.606 150 E HA 0.015 4.364 4.350 -0.002 0.000 0.248 150 E C 1.092 177.551 176.600 -0.235 0.000 1.005 150 E CA 0.753 57.085 56.400 -0.114 0.000 0.946 150 E CB 0.706 30.346 29.700 -0.100 0.000 0.928 150 E HN 0.626 nan 8.360 nan 0.000 0.494 151 T N 0.280 114.689 114.554 -0.242 0.000 2.983 151 T HA 0.205 4.554 4.350 -0.002 0.000 0.250 151 T C 1.429 175.976 174.700 -0.255 0.000 1.037 151 T CA 0.331 62.263 62.100 -0.281 0.000 1.142 151 T CB 0.314 68.993 68.868 -0.315 0.000 0.876 151 T HN 0.660 nan 8.240 nan 0.000 0.455 152 G N 1.234 109.926 108.800 -0.180 0.000 2.159 152 G HA2 -0.056 3.904 3.960 -0.002 0.000 0.170 152 G HA3 -0.056 3.904 3.960 -0.002 0.000 0.170 152 G C -0.148 174.717 174.900 -0.059 0.000 1.007 152 G CA -0.252 44.772 45.100 -0.126 0.000 0.672 152 G HN 0.629 nan 8.290 nan 0.000 0.507 153 I N 0.746 121.286 120.570 -0.051 0.000 2.378 153 I HA 0.303 4.472 4.170 -0.002 0.000 0.291 153 I C 1.216 177.359 176.117 0.044 0.000 0.992 153 I CA -0.877 60.440 61.300 0.027 0.000 1.154 153 I CB 1.626 39.672 38.000 0.076 0.000 1.315 153 I HN -0.088 nan 8.210 nan 0.000 0.448 154 K N 3.665 124.105 120.400 0.066 0.000 2.664 154 K HA -0.012 4.307 4.320 -0.002 0.000 0.193 154 K C 0.752 177.414 176.600 0.104 0.000 1.028 154 K CA 0.584 56.923 56.287 0.087 0.000 1.005 154 K CB 0.019 32.535 32.500 0.027 0.000 0.815 154 K HN 0.563 nan 8.250 nan 0.000 0.496 155 V N -2.103 117.859 119.914 0.080 0.000 3.305 155 V HA -0.067 4.052 4.120 -0.002 0.000 0.247 155 V C 1.688 177.821 176.094 0.064 0.000 1.426 155 V CA 0.094 62.431 62.300 0.062 0.000 1.162 155 V CB 0.609 32.491 31.823 0.098 0.000 0.961 155 V HN -0.059 nan 8.190 nan 0.000 0.449 156 V N 1.571 121.522 119.914 0.060 0.000 2.227 156 V HA -0.178 3.941 4.120 -0.002 0.000 0.238 156 V C 2.177 178.293 176.094 0.038 0.000 1.039 156 V CA 2.456 64.779 62.300 0.038 0.000 0.990 156 V CB -0.762 31.002 31.823 -0.098 0.000 0.635 156 V HN 0.601 nan 8.190 nan 0.000 0.453 157 N N 0.194 118.885 118.700 -0.015 0.000 2.588 157 N HA -0.143 4.596 4.740 -0.002 0.000 0.190 157 N C 1.334 176.924 175.510 0.133 0.000 1.094 157 N CA 1.080 54.151 53.050 0.036 0.000 0.921 157 N CB -0.137 38.327 38.487 -0.038 0.000 0.959 157 N HN 0.402 nan 8.380 nan 0.000 0.448 158 L N -0.577 120.718 121.223 0.120 0.000 2.577 158 L HA 0.278 4.617 4.340 -0.002 0.000 0.225 158 L C 1.475 178.456 176.870 0.185 0.000 1.053 158 L CA 0.736 55.679 54.840 0.171 0.000 0.866 158 L CB 0.249 42.301 42.059 -0.011 0.000 1.132 158 L HN -0.050 nan 8.230 nan 0.000 0.486 159 L N -0.666 120.615 121.223 0.096 0.000 2.731 159 L HA 0.546 4.885 4.340 -0.002 0.000 0.240 159 L C 0.294 177.218 176.870 0.090 0.000 1.120 159 L CA 0.417 55.292 54.840 0.059 0.000 0.913 159 L CB 0.303 42.367 42.059 0.008 0.000 1.213 159 L HN 0.162 nan 8.230 nan 0.000 0.515 160 A N 0.899 123.800 122.820 0.135 0.000 3.068 160 A HA 0.417 4.737 4.320 -0.002 0.000 0.269 160 A C -2.685 175.047 177.584 0.246 0.000 1.259 160 A CA -0.656 51.482 52.037 0.169 0.000 0.938 160 A CB -0.048 19.058 19.000 0.176 0.000 1.433 160 A HN -0.174 nan 8.150 nan 0.000 0.664 161 P HA 0.127 nan 4.420 nan 0.000 0.278 161 P C -0.997 176.606 177.300 0.505 0.000 1.270 161 P CA 0.360 63.624 63.100 0.274 0.000 0.800 161 P CB 0.448 32.284 31.700 0.226 0.000 1.142 162 Y N -0.647 119.743 120.300 0.151 0.000 2.338 162 Y HA 0.331 4.880 4.550 -0.001 0.000 0.328 162 Y C 0.890 176.811 175.900 0.034 0.000 0.965 162 Y CA -0.935 57.235 58.100 0.117 0.000 1.208 162 Y CB 1.049 39.648 38.460 0.232 0.000 1.132 162 Y HN 0.146 nan 8.280 nan 0.000 0.469 163 R N 3.173 123.722 120.500 0.081 0.000 2.298 163 R HA 0.413 4.752 4.340 -0.002 0.000 0.310 163 R C -0.048 176.149 176.300 -0.170 0.000 1.068 163 R CA -0.745 55.346 56.100 -0.015 0.000 0.957 163 R CB 1.088 31.376 30.300 -0.020 0.000 1.003 163 R HN 0.553 nan 8.270 nan 0.000 0.454 164 R N 1.139 121.511 120.500 -0.213 0.000 2.537 164 R HA 0.069 4.408 4.340 -0.002 0.000 0.280 164 R C 1.028 177.187 176.300 -0.234 0.000 1.058 164 R CA 1.021 56.899 56.100 -0.370 0.000 1.057 164 R CB 0.492 30.656 30.300 -0.227 0.000 0.973 164 R HN 1.043 nan 8.270 nan 0.000 0.438 165 G N 1.695 110.337 108.800 -0.264 0.000 2.217 165 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.246 165 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.246 165 G C 0.530 175.335 174.900 -0.158 0.000 0.990 165 G CA -0.177 44.822 45.100 -0.168 0.000 0.627 165 G HN 0.892 nan 8.290 nan 0.000 0.522 166 G N -0.204 108.483 108.800 -0.188 0.000 2.599 166 G HA2 0.529 4.488 3.960 -0.002 0.000 0.264 166 G HA3 0.529 4.488 3.960 -0.002 0.000 0.264 166 G C -0.141 174.657 174.900 -0.170 0.000 1.200 166 G CA -0.267 44.743 45.100 -0.149 0.000 0.896 166 G HN 0.448 nan 8.290 nan 0.000 0.536 167 K N 1.177 121.503 120.400 -0.123 0.000 2.464 167 K HA 0.267 4.586 4.320 -0.002 0.000 0.252 167 K C -0.542 175.988 176.600 -0.116 0.000 1.000 167 K CA -0.662 55.556 56.287 -0.115 0.000 0.951 167 K CB 1.620 34.089 32.500 -0.052 0.000 1.183 167 K HN 0.167 nan 8.250 nan 0.000 0.445 168 I N 2.019 122.461 120.570 -0.213 0.000 2.529 168 I HA 0.162 4.331 4.170 -0.002 0.000 0.284 168 I C 0.975 177.049 176.117 -0.071 0.000 1.082 168 I CA -0.270 60.873 61.300 -0.262 0.000 1.406 168 I CB 0.808 38.411 38.000 -0.661 0.000 1.405 168 I HN 0.636 nan 8.210 nan 0.000 0.548 169 G N 7.114 115.962 108.800 0.080 0.000 2.437 169 G HA2 0.614 4.573 3.960 -0.002 0.000 0.315 169 G HA3 0.614 4.573 3.960 -0.002 0.000 0.315 169 G C -0.604 174.494 174.900 0.330 0.000 1.210 169 G CA -0.497 44.758 45.100 0.258 0.000 0.943 169 G HN 0.496 nan 8.290 nan 0.000 0.471 170 L N 3.077 124.372 121.223 0.121 0.000 2.297 170 L HA 0.451 4.790 4.340 -0.002 0.000 0.277 170 L C -0.675 176.230 176.870 0.058 0.000 1.040 170 L CA -0.618 54.332 54.840 0.184 0.000 0.867 170 L CB 0.425 42.574 42.059 0.151 0.000 1.244 170 L HN 0.304 nan 8.230 nan 0.000 0.433 171 F N 1.051 121.053 119.950 0.086 0.000 2.408 171 F HA 0.883 5.409 4.527 -0.002 0.000 0.325 171 F C 0.959 176.786 175.800 0.046 0.000 1.082 171 F CA -0.655 57.370 58.000 0.043 0.000 1.032 171 F CB 1.950 40.978 39.000 0.046 0.000 1.259 171 F HN 0.412 nan 8.300 nan 0.000 0.503 172 G N -0.534 108.363 108.800 0.163 0.000 2.358 172 G HA2 0.463 4.422 3.960 -0.002 0.000 0.301 172 G HA3 0.463 4.422 3.960 -0.002 0.000 0.301 172 G C -1.083 173.776 174.900 -0.068 0.000 1.539 172 G CA -0.377 44.767 45.100 0.073 0.000 0.893 172 G HN 0.914 nan 8.290 nan 0.000 0.636 173 G N -0.722 108.025 108.800 -0.089 0.000 2.557 173 G HA2 0.725 4.684 3.960 -0.002 0.000 0.292 173 G HA3 0.725 4.684 3.960 -0.002 0.000 0.292 173 G C 0.836 175.711 174.900 -0.043 0.000 1.237 173 G CA 0.484 45.453 45.100 -0.219 0.000 0.978 173 G HN 1.989 nan 8.290 nan 0.000 0.498 174 A N -0.714 122.156 122.820 0.083 0.000 2.558 174 A HA 0.484 4.803 4.320 -0.002 0.000 0.262 174 A C 1.407 179.076 177.584 0.142 0.000 1.049 174 A CA 1.096 53.322 52.037 0.316 0.000 0.804 174 A CB -1.136 18.051 19.000 0.312 0.000 0.957 174 A HN 2.614 nan 8.150 nan 0.000 0.520 175 G N 1.198 110.073 108.800 0.125 0.000 2.487 175 G HA2 0.127 4.087 3.960 -0.002 0.000 0.243 175 G HA3 0.127 4.087 3.960 -0.002 0.000 0.243 175 G C 0.338 175.262 174.900 0.041 0.000 0.918 175 G CA 0.364 45.497 45.100 0.055 0.000 1.260 175 G HN 2.309 nan 8.290 nan 0.000 0.408 176 V N -1.354 118.586 119.914 0.044 0.000 3.332 176 V HA 0.749 4.868 4.120 -0.002 0.000 0.263 176 V C 1.617 177.742 176.094 0.052 0.000 1.562 176 V CA 1.240 63.582 62.300 0.070 0.000 1.040 176 V CB 0.419 32.291 31.823 0.082 0.000 0.857 176 V HN 2.562 nan 8.190 nan 0.000 0.428 177 G N 1.025 109.829 108.800 0.007 0.000 2.173 177 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.142 177 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.142 177 G C 0.542 175.474 174.900 0.054 0.000 1.019 177 G CA 0.246 45.326 45.100 -0.034 0.000 0.699 177 G HN 0.401 nan 8.290 nan 0.000 0.495 178 K N -0.011 120.444 120.400 0.093 0.000 2.057 178 K HA -0.045 4.274 4.320 -0.002 0.000 0.207 178 K C 2.507 179.201 176.600 0.157 0.000 1.049 178 K CA 1.815 58.181 56.287 0.132 0.000 0.931 178 K CB -0.203 32.368 32.500 0.119 0.000 0.714 178 K HN 0.317 nan 8.250 nan 0.000 0.440 179 T N 1.116 115.758 114.554 0.146 0.000 2.701 179 T HA -0.090 4.260 4.350 -0.002 0.000 0.263 179 T C 2.044 176.852 174.700 0.181 0.000 1.040 179 T CA 1.270 63.475 62.100 0.175 0.000 1.147 179 T CB -0.193 68.772 68.868 0.161 0.000 0.865 179 T HN -0.060 nan 8.240 nan 0.000 0.426 180 V N 1.924 121.930 119.914 0.154 0.000 2.469 180 V HA -0.122 3.997 4.120 -0.002 0.000 0.251 180 V C 2.367 178.645 176.094 0.308 0.000 1.064 180 V CA 1.218 63.634 62.300 0.194 0.000 1.066 180 V CB -0.816 31.057 31.823 0.084 0.000 0.667 180 V HN 0.316 nan 8.190 nan 0.000 0.461 181 L N -0.110 121.275 121.223 0.270 0.000 2.109 181 L HA 0.056 4.395 4.340 -0.002 0.000 0.207 181 L C 2.016 179.069 176.870 0.304 0.000 1.086 181 L CA 1.667 56.730 54.840 0.370 0.000 0.760 181 L CB -0.506 41.725 42.059 0.287 0.000 0.910 181 L HN 0.261 nan 8.230 nan 0.000 0.437 182 I N -0.866 119.852 120.570 0.246 0.000 3.111 182 I HA -0.127 4.042 4.170 -0.002 0.000 0.272 182 I C 1.823 177.996 176.117 0.094 0.000 1.268 182 I CA 0.868 62.298 61.300 0.218 0.000 1.467 182 I CB -0.074 38.088 38.000 0.269 0.000 1.087 182 I HN 0.235 nan 8.210 nan 0.000 0.467 183 M N -0.740 118.934 119.600 0.124 0.000 2.276 183 M HA -0.011 4.468 4.480 -0.002 0.000 0.262 183 M C 2.184 178.498 176.300 0.024 0.000 1.098 183 M CA 1.145 56.474 55.300 0.048 0.000 1.167 183 M CB -1.341 31.324 32.600 0.107 0.000 1.337 183 M HN 0.156 nan 8.290 nan 0.000 0.446 184 E N 0.761 121.027 120.200 0.109 0.000 2.333 184 E HA -0.089 4.260 4.350 -0.002 0.000 0.198 184 E C 1.918 178.462 176.600 -0.093 0.000 1.007 184 E CA 0.754 57.137 56.400 -0.029 0.000 0.845 184 E CB -0.121 29.439 29.700 -0.234 0.000 0.766 184 E HN 0.440 nan 8.360 nan 0.000 0.507 185 L N -0.252 120.964 121.223 -0.012 0.000 2.209 185 L HA 0.033 4.373 4.340 -0.002 0.000 0.207 185 L C 2.016 178.846 176.870 -0.066 0.000 1.094 185 L CA 0.484 55.336 54.840 0.019 0.000 0.790 185 L CB -0.039 42.148 42.059 0.215 0.000 0.932 185 L HN 0.218 nan 8.230 nan 0.000 0.447 186 I N -0.511 119.919 120.570 -0.232 0.000 2.876 186 I HA -0.185 3.984 4.170 -0.002 0.000 0.264 186 I C 2.082 178.102 176.117 -0.162 0.000 1.204 186 I CA 0.909 62.001 61.300 -0.347 0.000 1.485 186 I CB -0.192 37.509 38.000 -0.498 0.000 1.103 186 I HN 0.359 nan 8.210 nan 0.000 0.446 187 N N 0.897 119.511 118.700 -0.143 0.000 2.258 187 N HA -0.104 4.635 4.740 -0.002 0.000 0.183 187 N C 1.550 176.922 175.510 -0.230 0.000 1.029 187 N CA 0.837 53.807 53.050 -0.134 0.000 0.857 187 N CB 0.191 38.623 38.487 -0.092 0.000 1.008 187 N HN 0.141 nan 8.380 nan 0.000 0.433 188 N N -0.014 118.500 118.700 -0.310 0.000 2.354 188 N HA 0.065 4.804 4.740 -0.002 0.000 0.179 188 N C 1.044 176.337 175.510 -0.361 0.000 1.021 188 N CA 0.893 53.648 53.050 -0.491 0.000 0.887 188 N CB 0.316 38.498 38.487 -0.508 0.000 0.974 188 N HN 0.398 nan 8.380 nan 0.000 0.437 189 I N -1.859 118.582 120.570 -0.215 0.000 4.197 189 I HA 0.265 4.434 4.170 -0.002 0.000 0.307 189 I C 1.769 177.887 176.117 0.001 0.000 1.236 189 I CA 0.117 61.310 61.300 -0.178 0.000 1.321 189 I CB -0.001 37.854 38.000 -0.241 0.000 1.309 189 I HN -0.051 nan 8.210 nan 0.000 0.450 190 A N 1.746 124.624 122.820 0.096 0.000 1.872 190 A HA -0.110 4.209 4.320 -0.002 0.000 0.214 190 A C 2.233 179.894 177.584 0.129 0.000 1.187 190 A CA 1.424 53.588 52.037 0.213 0.000 0.614 190 A CB -0.363 18.771 19.000 0.224 0.000 0.826 190 A HN 0.228 nan 8.150 nan 0.000 0.442 191 K N -0.280 120.136 120.400 0.026 0.000 2.103 191 K HA -0.097 4.222 4.320 -0.002 0.000 0.207 191 K C 1.888 178.490 176.600 0.004 0.000 1.048 191 K CA 1.341 57.631 56.287 0.004 0.000 0.930 191 K CB -0.239 32.240 32.500 -0.036 0.000 0.716 191 K HN 0.442 nan 8.250 nan 0.000 0.444 192 A N 0.623 123.435 122.820 -0.014 0.000 2.267 192 A HA -0.018 4.301 4.320 -0.002 0.000 0.213 192 A C 0.320 177.914 177.584 0.017 0.000 1.192 192 A CA -0.112 51.909 52.037 -0.028 0.000 0.851 192 A CB -0.349 18.600 19.000 -0.086 0.000 0.881 192 A HN 0.288 nan 8.150 nan 0.000 0.494 193 H N 0.651 119.703 119.070 -0.030 0.000 3.034 193 H HA 0.295 4.850 4.556 -0.002 0.000 0.324 193 H C 0.981 176.312 175.328 0.005 0.000 1.015 193 H CA 0.149 56.197 56.048 0.002 0.000 1.429 193 H CB 0.634 30.435 29.762 0.065 0.000 1.429 193 H HN 0.069 nan 8.280 nan 0.000 0.585 194 G N 3.722 112.223 108.800 -0.498 0.000 3.343 194 G HA2 0.501 4.460 3.960 -0.002 0.000 0.264 194 G HA3 0.501 4.460 3.960 -0.002 0.000 0.264 194 G C 0.091 174.583 174.900 -0.680 0.000 0.884 194 G CA 0.341 45.185 45.100 -0.426 0.000 1.916 194 G HN 0.925 nan 8.290 nan 0.000 0.618 195 G N -0.839 107.548 108.800 -0.688 0.000 2.315 195 G HA2 0.399 4.358 3.960 -0.002 0.000 0.294 195 G HA3 0.399 4.358 3.960 -0.002 0.000 0.294 195 G C -0.987 173.858 174.900 -0.093 0.000 1.300 195 G CA -0.493 44.372 45.100 -0.393 0.000 0.843 195 G HN 0.486 nan 8.290 nan 0.000 0.527 196 V N -0.105 119.785 119.914 -0.039 0.000 3.083 196 V HA 0.756 4.875 4.120 -0.002 0.000 0.306 196 V C 0.769 176.933 176.094 0.116 0.000 1.077 196 V CA -0.091 62.163 62.300 -0.077 0.000 1.073 196 V CB 1.403 32.944 31.823 -0.470 0.000 1.081 196 V HN 0.889 nan 8.190 nan 0.000 0.474 197 S N -0.085 115.683 115.700 0.113 0.000 2.651 197 S HA 0.856 5.325 4.470 -0.002 0.000 0.279 197 S C -1.289 173.440 174.600 0.216 0.000 1.148 197 S CA -0.473 57.840 58.200 0.189 0.000 0.837 197 S CB 2.104 65.512 63.200 0.348 0.000 1.138 197 S HN 0.509 nan 8.310 nan 0.000 0.478 198 V N 2.006 122.058 119.914 0.231 0.000 2.932 198 V HA 0.587 4.706 4.120 -0.002 0.000 0.307 198 V C -1.665 174.624 176.094 0.325 0.000 1.147 198 V CA -0.737 61.705 62.300 0.237 0.000 0.951 198 V CB 1.865 33.771 31.823 0.137 0.000 1.031 198 V HN 0.815 nan 8.190 nan 0.000 0.426 199 F N 2.360 122.392 119.950 0.136 0.000 2.499 199 F HA 0.817 5.343 4.527 -0.001 0.000 0.333 199 F C 0.465 176.231 175.800 -0.057 0.000 1.138 199 F CA -0.408 57.664 58.000 0.120 0.000 0.945 199 F CB 1.511 40.569 39.000 0.097 0.000 1.181 199 F HN 0.642 nan 8.300 nan 0.000 0.435 200 G N 3.122 111.617 108.800 -0.509 0.000 2.353 200 G HA2 0.444 4.403 3.960 -0.002 0.000 0.284 200 G HA3 0.444 4.403 3.960 -0.002 0.000 0.284 200 G C -0.067 174.524 174.900 -0.514 0.000 1.172 200 G CA -0.572 44.288 45.100 -0.400 0.000 0.854 200 G HN 1.054 nan 8.290 nan 0.000 0.485 201 G N 0.893 109.566 108.800 -0.211 0.000 2.857 201 G HA2 0.423 4.382 3.960 -0.002 0.000 0.326 201 G HA3 0.423 4.382 3.960 -0.002 0.000 0.326 201 G C -0.412 174.550 174.900 0.102 0.000 0.950 201 G CA -0.247 44.920 45.100 0.110 0.000 1.400 201 G HN 0.610 nan 8.290 nan 0.000 0.473 202 V N 2.266 122.198 119.914 0.030 0.000 2.294 202 V HA 0.564 4.683 4.120 -0.002 0.000 0.272 202 V C 1.119 177.261 176.094 0.081 0.000 1.027 202 V CA 0.199 62.524 62.300 0.041 0.000 0.823 202 V CB 0.651 32.468 31.823 -0.011 0.000 1.030 202 V HN 1.120 nan 8.190 nan 0.000 0.457 203 G N 3.559 112.412 108.800 0.089 0.000 2.338 203 G HA2 -0.170 3.789 3.960 -0.002 0.000 0.296 203 G HA3 -0.170 3.789 3.960 -0.002 0.000 0.296 203 G C -0.059 174.892 174.900 0.085 0.000 1.040 203 G CA 0.256 45.401 45.100 0.075 0.000 1.004 203 G HN 0.579 nan 8.290 nan 0.000 0.509 204 E N -0.902 119.364 120.200 0.110 0.000 2.446 204 E HA 0.424 4.773 4.350 -0.002 0.000 0.267 204 E C 0.672 177.318 176.600 0.077 0.000 0.955 204 E CA -1.037 55.425 56.400 0.104 0.000 0.842 204 E CB 0.733 30.527 29.700 0.156 0.000 1.504 204 E HN 0.386 nan 8.360 nan 0.000 0.438 205 R N 0.221 120.759 120.500 0.063 0.000 2.623 205 R HA 0.116 4.455 4.340 -0.002 0.000 0.271 205 R C 0.955 177.248 176.300 -0.012 0.000 1.043 205 R CA 0.202 56.318 56.100 0.027 0.000 1.083 205 R CB -0.002 30.317 30.300 0.032 0.000 0.974 205 R HN 0.446 nan 8.270 nan 0.000 0.436 206 T N 2.439 116.964 114.554 -0.048 0.000 2.821 206 T HA -0.091 4.258 4.350 -0.002 0.000 0.267 206 T C 1.839 176.464 174.700 -0.125 0.000 1.046 206 T CA 1.142 63.171 62.100 -0.119 0.000 1.139 206 T CB 0.006 68.818 68.868 -0.092 0.000 0.871 206 T HN 0.479 nan 8.240 nan 0.000 0.454 207 R N 1.111 121.576 120.500 -0.058 0.000 2.094 207 R HA -0.100 4.239 4.340 -0.002 0.000 0.239 207 R C 2.238 178.517 176.300 -0.036 0.000 1.137 207 R CA 1.480 57.557 56.100 -0.037 0.000 0.943 207 R CB -0.326 29.973 30.300 -0.003 0.000 0.850 207 R HN 0.524 nan 8.270 nan 0.000 0.433 208 E N -0.565 119.632 120.200 -0.006 0.000 2.501 208 E HA -0.129 4.220 4.350 -0.002 0.000 0.203 208 E C 1.589 178.185 176.600 -0.006 0.000 1.072 208 E CA 0.639 57.060 56.400 0.036 0.000 0.885 208 E CB 0.042 29.811 29.700 0.116 0.000 0.813 208 E HN 0.508 nan 8.360 nan 0.000 0.556 209 G N 0.995 109.692 108.800 -0.171 0.000 2.662 209 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.207 209 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.207 209 G C 1.350 176.142 174.900 -0.179 0.000 1.154 209 G CA 0.286 45.123 45.100 -0.438 0.000 0.837 209 G HN 0.172 nan 8.290 nan 0.000 0.580 210 N N 1.325 119.940 118.700 -0.141 0.000 2.149 210 N HA -0.117 4.622 4.740 -0.002 0.000 0.188 210 N C 1.593 177.139 175.510 0.060 0.000 1.019 210 N CA 1.922 54.969 53.050 -0.005 0.000 0.857 210 N CB -0.208 38.266 38.487 -0.022 0.000 0.997 210 N HN 0.204 nan 8.380 nan 0.000 0.426 211 D N 0.175 120.583 120.400 0.013 0.000 2.081 211 D HA -0.168 4.471 4.640 -0.002 0.000 0.194 211 D C 1.943 178.254 176.300 0.018 0.000 0.986 211 D CA 1.101 55.109 54.000 0.014 0.000 0.837 211 D CB -0.657 40.148 40.800 0.008 0.000 0.985 211 D HN 0.263 nan 8.370 nan 0.000 0.448 212 L N 0.363 121.584 121.223 -0.004 0.000 2.197 212 L HA -0.241 4.098 4.340 -0.002 0.000 0.215 212 L C 2.186 179.079 176.870 0.038 0.000 1.095 212 L CA 1.478 56.289 54.840 -0.048 0.000 0.764 212 L CB -0.577 41.363 42.059 -0.198 0.000 0.897 212 L HN 0.073 nan 8.230 nan 0.000 0.436 213 Y N -0.533 119.742 120.300 -0.042 0.000 2.114 213 Y HA -0.159 4.390 4.550 -0.001 0.000 0.284 213 Y C 2.411 178.302 175.900 -0.016 0.000 1.119 213 Y CA 1.954 60.049 58.100 -0.008 0.000 1.108 213 Y CB -0.319 38.149 38.460 0.013 0.000 0.995 213 Y HN 0.101 nan 8.280 nan 0.000 0.491 214 M N -0.178 119.398 119.600 -0.041 0.000 2.446 214 M HA -0.176 4.303 4.480 -0.002 0.000 0.263 214 M C 1.529 177.761 176.300 -0.113 0.000 1.066 214 M CA 1.568 56.784 55.300 -0.140 0.000 1.087 214 M CB -0.335 32.239 32.600 -0.043 0.000 1.406 214 M HN 0.306 nan 8.290 nan 0.000 0.459 215 E N 0.218 120.376 120.200 -0.071 0.000 2.060 215 E HA 0.038 4.387 4.350 -0.002 0.000 0.189 215 E C 1.880 178.439 176.600 -0.070 0.000 0.974 215 E CA 0.827 57.194 56.400 -0.056 0.000 0.808 215 E CB 0.110 29.790 29.700 -0.033 0.000 0.768 215 E HN 0.280 nan 8.360 nan 0.000 0.453 216 M N 0.433 119.987 119.600 -0.076 0.000 2.549 216 M HA -0.076 4.403 4.480 -0.002 0.000 0.260 216 M C 1.566 177.805 176.300 -0.103 0.000 1.076 216 M CA 1.092 56.351 55.300 -0.068 0.000 1.090 216 M CB -0.225 32.353 32.600 -0.037 0.000 1.418 216 M HN 0.025 nan 8.290 nan 0.000 0.486 217 K N -0.011 120.286 120.400 -0.173 0.000 2.044 217 K HA -0.072 4.247 4.320 -0.002 0.000 0.204 217 K C 1.871 178.400 176.600 -0.119 0.000 1.045 217 K CA 0.683 56.847 56.287 -0.205 0.000 0.951 217 K CB 0.190 32.493 32.500 -0.328 0.000 0.738 217 K HN 0.105 nan 8.250 nan 0.000 0.443 218 E N 0.711 120.851 120.200 -0.100 0.000 2.160 218 E HA -0.137 4.212 4.350 -0.002 0.000 0.195 218 E C 1.819 178.391 176.600 -0.045 0.000 0.991 218 E CA 1.440 57.801 56.400 -0.064 0.000 0.810 218 E CB -0.122 29.546 29.700 -0.053 0.000 0.742 218 E HN 0.286 nan 8.360 nan 0.000 0.466 219 S N -0.900 114.774 115.700 -0.043 0.000 2.607 219 S HA 0.141 4.610 4.470 -0.002 0.000 0.224 219 S C 1.534 176.118 174.600 -0.027 0.000 0.969 219 S CA 0.681 58.864 58.200 -0.027 0.000 0.927 219 S CB 0.052 63.238 63.200 -0.023 0.000 0.772 219 S HN 0.292 nan 8.310 nan 0.000 0.533 220 G N 0.535 109.313 108.800 -0.037 0.000 2.153 220 G HA2 -0.286 3.673 3.960 -0.002 0.000 0.252 220 G HA3 -0.286 3.673 3.960 -0.002 0.000 0.252 220 G C 0.618 175.506 174.900 -0.020 0.000 0.994 220 G CA 0.284 45.366 45.100 -0.030 0.000 0.698 220 G HN 0.659 nan 8.290 nan 0.000 0.521 221 V N 0.231 120.134 119.914 -0.019 0.000 2.548 221 V HA 0.085 4.204 4.120 -0.002 0.000 0.249 221 V C 1.913 178.015 176.094 0.012 0.000 1.055 221 V CA 1.321 63.622 62.300 0.002 0.000 1.065 221 V CB -0.389 31.440 31.823 0.011 0.000 0.681 221 V HN 0.478 nan 8.190 nan 0.000 0.462 222 I N 0.223 120.789 120.570 -0.007 0.000 3.078 222 I HA 0.244 4.413 4.170 -0.002 0.000 0.318 222 I C 0.229 176.345 176.117 -0.002 0.000 1.016 222 I CA -0.564 60.740 61.300 0.008 0.000 1.130 222 I CB 0.149 38.130 38.000 -0.032 0.000 1.397 222 I HN 0.247 nan 8.210 nan 0.000 0.570 223 N N 2.715 121.423 118.700 0.015 0.000 2.406 223 N HA 0.017 4.756 4.740 -0.002 0.000 0.265 223 N C 0.700 176.205 175.510 -0.009 0.000 1.203 223 N CA 0.098 53.153 53.050 0.010 0.000 0.945 223 N CB 1.008 39.510 38.487 0.026 0.000 1.165 223 N HN 0.537 nan 8.380 nan 0.000 0.485 224 E N 1.373 121.563 120.200 -0.016 0.000 2.150 224 E HA -0.087 4.262 4.350 -0.002 0.000 0.193 224 E C -0.090 176.502 176.600 -0.013 0.000 0.985 224 E CA 1.056 57.441 56.400 -0.024 0.000 0.814 224 E CB 0.376 30.063 29.700 -0.023 0.000 0.752 224 E HN 0.600 nan 8.360 nan 0.000 0.466 225 Q N -0.653 119.144 119.800 -0.005 0.000 2.416 225 Q HA 0.292 4.632 4.340 -0.002 0.000 0.281 225 Q C -0.922 175.083 176.000 0.008 0.000 1.067 225 Q CA -0.702 55.102 55.803 0.001 0.000 0.809 225 Q CB 1.249 29.987 28.738 -0.000 0.000 1.418 225 Q HN -0.058 nan 8.270 nan 0.000 0.411 226 N N 1.607 120.314 118.700 0.012 0.000 2.926 226 N HA 0.075 4.814 4.740 -0.002 0.000 0.284 226 N C 0.362 175.882 175.510 0.017 0.000 1.303 226 N CA 0.410 53.470 53.050 0.018 0.000 1.062 226 N CB 0.033 38.531 38.487 0.020 0.000 1.389 226 N HN 0.542 nan 8.380 nan 0.000 0.538 227 I N 0.063 120.641 120.570 0.014 0.000 3.684 227 I HA -0.001 4.168 4.170 -0.002 0.000 0.304 227 I C 0.816 176.943 176.117 0.017 0.000 1.278 227 I CA -0.049 61.258 61.300 0.013 0.000 1.272 227 I CB -0.171 37.833 38.000 0.007 0.000 1.029 227 I HN 0.114 nan 8.210 nan 0.000 0.458 228 A N 1.876 124.709 122.820 0.022 0.000 2.416 228 A HA -0.225 4.094 4.320 -0.002 0.000 0.293 228 A C 0.809 178.406 177.584 0.022 0.000 1.452 228 A CA 0.852 52.907 52.037 0.029 0.000 0.738 228 A CB -1.993 17.030 19.000 0.038 0.000 1.123 228 A HN 0.649 nan 8.150 nan 0.000 0.389 229 E N 0.233 120.442 120.200 0.015 0.000 2.476 229 E HA 0.132 4.481 4.350 -0.002 0.000 0.196 229 E C 0.456 177.059 176.600 0.005 0.000 1.029 229 E CA 0.201 56.604 56.400 0.005 0.000 0.896 229 E CB 0.348 30.048 29.700 0.000 0.000 1.012 229 E HN 0.703 nan 8.360 nan 0.000 0.475 230 S N 1.163 116.874 115.700 0.018 0.000 2.573 230 S HA 0.073 4.542 4.470 -0.002 0.000 0.277 230 S C 0.722 175.327 174.600 0.009 0.000 1.346 230 S CA 0.388 58.604 58.200 0.027 0.000 1.034 230 S CB 0.558 63.792 63.200 0.056 0.000 0.879 230 S HN 0.172 nan 8.310 nan 0.000 0.528 231 K N 1.155 121.564 120.400 0.015 0.000 2.826 231 K HA 0.381 4.700 4.320 -0.002 0.000 0.206 231 K C -1.297 175.326 176.600 0.037 0.000 1.116 231 K CA -0.022 56.258 56.287 -0.012 0.000 1.045 231 K CB 0.879 33.375 32.500 -0.008 0.000 0.758 231 K HN 0.250 nan 8.250 nan 0.000 0.465 232 V N 0.677 120.637 119.914 0.077 0.000 3.012 232 V HA 0.671 4.790 4.120 -0.002 0.000 0.307 232 V C -1.507 174.698 176.094 0.186 0.000 1.166 232 V CA -1.029 61.358 62.300 0.145 0.000 0.974 232 V CB 2.094 34.012 31.823 0.158 0.000 1.040 232 V HN 0.231 nan 8.190 nan 0.000 0.428 233 A N 4.672 127.631 122.820 0.232 0.000 2.359 233 A HA 0.906 5.225 4.320 -0.002 0.000 0.303 233 A C -1.355 176.372 177.584 0.238 0.000 1.066 233 A CA -0.417 51.780 52.037 0.267 0.000 0.730 233 A CB 1.117 20.284 19.000 0.279 0.000 1.211 233 A HN 0.735 nan 8.150 nan 0.000 0.439 234 L N 2.115 123.496 121.223 0.264 0.000 2.325 234 L HA 0.725 5.064 4.340 -0.002 0.000 0.278 234 L C -0.835 176.144 176.870 0.182 0.000 1.023 234 L CA -1.016 53.918 54.840 0.156 0.000 0.811 234 L CB 2.084 44.195 42.059 0.087 0.000 1.249 234 L HN 0.421 nan 8.230 nan 0.000 0.431 235 V N 2.462 122.373 119.914 -0.006 0.000 2.462 235 V HA 0.305 4.424 4.120 -0.002 0.000 0.288 235 V C -1.264 174.797 176.094 -0.054 0.000 1.020 235 V CA -0.588 61.742 62.300 0.050 0.000 0.857 235 V CB 1.166 32.993 31.823 0.006 0.000 1.013 235 V HN 0.397 nan 8.190 nan 0.000 0.431 236 Y N 2.262 122.644 120.300 0.136 0.000 2.342 236 Y HA 0.717 5.266 4.550 -0.002 0.000 0.338 236 Y C 0.820 176.758 175.900 0.064 0.000 0.965 236 Y CA -0.877 57.285 58.100 0.104 0.000 1.159 236 Y CB 2.270 40.777 38.460 0.077 0.000 1.157 236 Y HN 0.655 nan 8.280 nan 0.000 0.486 237 G N 4.779 113.738 108.800 0.264 0.000 3.418 237 G HA2 0.320 4.279 3.960 -0.002 0.000 0.325 237 G HA3 0.320 4.279 3.960 -0.002 0.000 0.325 237 G C -0.607 174.381 174.900 0.146 0.000 1.556 237 G CA -0.612 44.578 45.100 0.150 0.000 1.047 237 G HN 0.344 nan 8.290 nan 0.000 0.500 238 Q N 1.348 121.220 119.800 0.121 0.000 2.272 238 Q HA 0.311 4.650 4.340 -0.002 0.000 0.192 238 Q C 2.017 178.048 176.000 0.051 0.000 1.059 238 Q CA -0.628 55.227 55.803 0.086 0.000 1.084 238 Q CB 0.625 29.381 28.738 0.029 0.000 1.139 238 Q HN 0.557 nan 8.270 nan 0.000 0.593 239 M N 0.724 120.347 119.600 0.038 0.000 2.352 239 M HA -0.352 4.127 4.480 -0.002 0.000 0.260 239 M C 1.763 178.071 176.300 0.014 0.000 1.068 239 M CA 2.586 57.899 55.300 0.022 0.000 1.082 239 M CB -1.132 31.476 32.600 0.013 0.000 1.262 239 M HN 0.728 nan 8.290 nan 0.000 0.444 240 N N -0.006 118.699 118.700 0.008 0.000 2.133 240 N HA -0.164 4.575 4.740 -0.002 0.000 0.193 240 N C 0.151 175.665 175.510 0.007 0.000 1.012 240 N CA 0.729 53.782 53.050 0.004 0.000 0.871 240 N CB -0.738 37.749 38.487 -0.000 0.000 1.011 240 N HN 0.440 nan 8.380 nan 0.000 0.435 241 E N 1.960 122.168 120.200 0.013 0.000 2.436 241 E HA 0.083 4.432 4.350 -0.002 0.000 0.262 241 E C -1.871 174.734 176.600 0.008 0.000 1.063 241 E CA -1.051 55.358 56.400 0.014 0.000 0.944 241 E CB 0.108 29.823 29.700 0.025 0.000 0.950 241 E HN 0.243 nan 8.360 nan 0.000 0.444 242 P HA -0.035 nan 4.420 nan 0.000 0.274 242 P C -1.746 175.551 177.300 -0.004 0.000 1.264 242 P CA -0.610 62.490 63.100 -0.001 0.000 0.795 242 P CB -0.110 31.590 31.700 -0.001 0.000 1.064 243 P HA -0.083 nan 4.420 nan 0.000 0.215 243 P C 1.147 178.434 177.300 -0.021 0.000 1.157 243 P CA 1.625 64.712 63.100 -0.023 0.000 0.859 243 P CB -0.558 31.125 31.700 -0.029 0.000 0.786 244 G N -0.673 108.117 108.800 -0.017 0.000 3.302 244 G HA2 0.174 4.133 3.960 -0.002 0.000 0.220 244 G HA3 0.174 4.133 3.960 -0.002 0.000 0.220 244 G C 1.033 175.929 174.900 -0.006 0.000 1.297 244 G CA 0.612 45.702 45.100 -0.017 0.000 1.213 244 G HN 0.431 nan 8.290 nan 0.000 0.508 245 A N 0.304 123.126 122.820 0.003 0.000 1.935 245 A HA 0.330 4.649 4.320 -0.002 0.000 0.202 245 A C 2.019 179.620 177.584 0.029 0.000 1.772 245 A CA -0.015 52.030 52.037 0.014 0.000 1.013 245 A CB 0.197 19.208 19.000 0.017 0.000 1.077 245 A HN 0.236 nan 8.150 nan 0.000 0.565 246 R N 0.024 120.545 120.500 0.035 0.000 2.339 246 R HA 0.201 4.540 4.340 -0.002 0.000 0.199 246 R C 1.358 177.729 176.300 0.118 0.000 1.018 246 R CA 0.765 56.901 56.100 0.059 0.000 1.036 246 R CB -0.277 30.049 30.300 0.043 0.000 0.899 246 R HN 0.510 nan 8.270 nan 0.000 0.473 247 M N -0.613 119.045 119.600 0.097 0.000 2.556 247 M HA 0.069 4.548 4.480 -0.002 0.000 0.245 247 M C 1.228 177.693 176.300 0.275 0.000 1.128 247 M CA 1.069 56.471 55.300 0.170 0.000 1.069 247 M CB 0.468 33.067 32.600 -0.002 0.000 1.469 247 M HN 0.040 nan 8.290 nan 0.000 0.494 248 R N -0.594 119.975 120.500 0.116 0.000 2.568 248 R HA 0.098 4.437 4.340 -0.002 0.000 0.254 248 R C 1.912 178.186 176.300 -0.044 0.000 0.925 248 R CA 0.409 56.522 56.100 0.022 0.000 1.025 248 R CB 0.183 30.469 30.300 -0.023 0.000 1.428 248 R HN 0.319 nan 8.270 nan 0.000 0.573 249 V N -0.974 118.928 119.914 -0.020 0.000 2.720 249 V HA 0.006 4.125 4.120 -0.002 0.000 0.256 249 V C 1.828 177.859 176.094 -0.105 0.000 1.082 249 V CA 2.109 64.384 62.300 -0.043 0.000 1.101 249 V CB -0.902 30.921 31.823 0.001 0.000 0.693 249 V HN 0.236 nan 8.190 nan 0.000 0.479 250 G N 0.455 109.165 108.800 -0.150 0.000 2.408 250 G HA2 -0.117 3.842 3.960 -0.002 0.000 0.217 250 G HA3 -0.117 3.842 3.960 -0.002 0.000 0.217 250 G C 1.504 176.248 174.900 -0.261 0.000 1.150 250 G CA 1.004 45.944 45.100 -0.266 0.000 0.776 250 G HN 0.541 nan 8.290 nan 0.000 0.542 251 L N 0.602 121.685 121.223 -0.233 0.000 2.465 251 L HA 0.017 4.356 4.340 -0.002 0.000 0.224 251 L C 2.796 179.553 176.870 -0.188 0.000 1.145 251 L CA 0.818 55.532 54.840 -0.211 0.000 0.834 251 L CB -0.141 41.795 42.059 -0.205 0.000 0.944 251 L HN 0.193 nan 8.230 nan 0.000 0.451 252 T N -0.544 113.910 114.554 -0.166 0.000 2.939 252 T HA 0.047 4.397 4.350 -0.002 0.000 0.254 252 T C 2.018 176.609 174.700 -0.181 0.000 1.041 252 T CA 0.904 62.906 62.100 -0.164 0.000 1.142 252 T CB 0.091 68.888 68.868 -0.119 0.000 0.874 252 T HN 0.362 nan 8.240 nan 0.000 0.452 253 A N 1.055 123.779 122.820 -0.160 0.000 2.019 253 A HA 0.024 4.343 4.320 -0.002 0.000 0.219 253 A C 2.110 179.603 177.584 -0.151 0.000 1.164 253 A CA 1.128 53.075 52.037 -0.149 0.000 0.644 253 A CB -0.515 18.396 19.000 -0.149 0.000 0.805 253 A HN 0.399 nan 8.150 nan 0.000 0.449 254 L N -1.661 119.461 121.223 -0.168 0.000 2.416 254 L HA 0.124 4.463 4.340 -0.002 0.000 0.216 254 L C 2.130 178.911 176.870 -0.148 0.000 1.098 254 L CA 1.934 56.681 54.840 -0.155 0.000 0.840 254 L CB -0.412 41.543 42.059 -0.172 0.000 0.981 254 L HN 0.230 nan 8.230 nan 0.000 0.462 255 T N -0.618 113.835 114.554 -0.168 0.000 2.951 255 T HA -0.068 4.281 4.350 -0.002 0.000 0.268 255 T C 1.756 176.337 174.700 -0.199 0.000 1.073 255 T CA 1.442 63.445 62.100 -0.162 0.000 1.134 255 T CB -0.091 68.675 68.868 -0.170 0.000 0.884 255 T HN 0.247 nan 8.240 nan 0.000 0.479 256 M N 0.317 119.765 119.600 -0.253 0.000 2.388 256 M HA 0.188 4.667 4.480 -0.002 0.000 0.265 256 M C 2.411 178.493 176.300 -0.364 0.000 1.088 256 M CA 0.575 55.650 55.300 -0.376 0.000 1.134 256 M CB 0.027 32.397 32.600 -0.384 0.000 1.384 256 M HN 0.248 nan 8.290 nan 0.000 0.447 257 A N 0.474 123.194 122.820 -0.167 0.000 2.021 257 A HA -0.083 4.236 4.320 -0.002 0.000 0.216 257 A C 1.640 179.199 177.584 -0.041 0.000 1.163 257 A CA 0.883 52.896 52.037 -0.040 0.000 0.676 257 A CB -0.548 18.436 19.000 -0.026 0.000 0.818 257 A HN 0.623 nan 8.150 nan 0.000 0.453 258 E N -1.856 118.298 120.200 -0.076 0.000 2.416 258 E HA -0.004 4.345 4.350 -0.002 0.000 0.189 258 E C 0.875 177.456 176.600 -0.033 0.000 1.091 258 E CA 0.181 56.550 56.400 -0.052 0.000 0.889 258 E CB -0.243 29.423 29.700 -0.057 0.000 1.015 258 E HN 0.749 nan 8.360 nan 0.000 0.479 259 Y N -0.203 119.968 120.300 -0.215 0.000 2.697 259 Y HA 0.147 4.697 4.550 -0.002 0.000 0.268 259 Y C 1.282 177.115 175.900 -0.112 0.000 1.092 259 Y CA 0.098 58.058 58.100 -0.234 0.000 1.304 259 Y CB -0.012 38.189 38.460 -0.432 0.000 1.446 259 Y HN -0.072 nan 8.280 nan 0.000 0.491 260 F N 1.480 121.487 119.950 0.094 0.000 2.202 260 F HA -0.135 4.391 4.527 -0.001 0.000 0.301 260 F C 2.637 178.390 175.800 -0.078 0.000 1.082 260 F CA 1.716 59.719 58.000 0.004 0.000 1.313 260 F CB -0.843 38.209 39.000 0.087 0.000 1.024 260 F HN 0.095 nan 8.300 nan 0.000 0.495 261 R N 0.361 120.921 120.500 0.099 0.000 2.066 261 R HA -0.127 4.212 4.340 -0.002 0.000 0.232 261 R C 1.277 177.556 176.300 -0.036 0.000 1.131 261 R CA 2.032 58.148 56.100 0.026 0.000 0.955 261 R CB -0.156 30.146 30.300 0.004 0.000 0.851 261 R HN 0.210 nan 8.270 nan 0.000 0.432 262 D N -0.987 119.359 120.400 -0.089 0.000 2.455 262 D HA 0.013 4.652 4.640 -0.002 0.000 0.228 262 D C 1.798 178.000 176.300 -0.164 0.000 1.070 262 D CA 0.362 54.300 54.000 -0.104 0.000 0.881 262 D CB 0.509 41.259 40.800 -0.083 0.000 1.087 262 D HN 0.098 nan 8.370 nan 0.000 0.498 263 V N 1.834 121.561 119.914 -0.311 0.000 2.446 263 V HA -0.042 4.077 4.120 -0.002 0.000 0.244 263 V C 1.340 177.250 176.094 -0.307 0.000 1.039 263 V CA 1.070 63.122 62.300 -0.413 0.000 1.045 263 V CB -0.194 31.082 31.823 -0.912 0.000 0.681 263 V HN 0.130 nan 8.190 nan 0.000 0.459 264 N N -0.301 118.239 118.700 -0.267 0.000 2.235 264 N HA 0.088 4.827 4.740 -0.002 0.000 0.209 264 N C 0.174 175.659 175.510 -0.041 0.000 1.122 264 N CA -0.014 52.982 53.050 -0.090 0.000 0.845 264 N CB 0.272 38.779 38.487 0.033 0.000 1.004 264 N HN 0.513 nan 8.380 nan 0.000 0.499 265 E N 0.958 121.123 120.200 -0.058 0.000 2.202 265 E HA -0.251 4.099 4.350 -0.002 0.000 0.214 265 E C -0.486 176.110 176.600 -0.008 0.000 1.303 265 E CA 0.667 57.048 56.400 -0.032 0.000 0.714 265 E CB -0.969 28.712 29.700 -0.033 0.000 1.130 265 E HN 0.519 nan 8.360 nan 0.000 0.356 266 Q N -0.099 119.711 119.800 0.016 0.000 2.195 266 Q HA 0.377 4.716 4.340 -0.002 0.000 0.250 266 Q C -0.631 175.399 176.000 0.051 0.000 0.988 266 Q CA -0.860 54.959 55.803 0.026 0.000 0.911 266 Q CB 0.985 29.737 28.738 0.024 0.000 1.258 266 Q HN 0.017 nan 8.270 nan 0.000 0.475 267 D N 1.019 121.465 120.400 0.075 0.000 2.454 267 D HA 0.306 4.945 4.640 -0.002 0.000 0.225 267 D C -0.981 175.449 176.300 0.218 0.000 1.081 267 D CA -0.104 53.972 54.000 0.127 0.000 0.864 267 D CB 1.202 42.105 40.800 0.173 0.000 1.040 267 D HN 0.103 nan 8.370 nan 0.000 0.517 268 V N 2.161 122.147 119.914 0.120 0.000 2.834 268 V HA 0.497 4.616 4.120 -0.002 0.000 0.313 268 V C 0.231 176.297 176.094 -0.047 0.000 1.060 268 V CA -0.981 61.379 62.300 0.100 0.000 0.989 268 V CB 1.792 33.697 31.823 0.137 0.000 1.041 268 V HN 0.340 nan 8.190 nan 0.000 0.459 269 L N 2.915 124.068 121.223 -0.115 0.000 2.346 269 L HA 0.552 4.891 4.340 -0.002 0.000 0.276 269 L C -1.066 175.566 176.870 -0.397 0.000 1.006 269 L CA -0.618 53.999 54.840 -0.372 0.000 0.817 269 L CB 1.859 43.584 42.059 -0.557 0.000 1.272 269 L HN 0.465 nan 8.230 nan 0.000 0.421 270 L N 3.771 124.708 121.223 -0.477 0.000 2.384 270 L HA 0.450 4.789 4.340 -0.002 0.000 0.261 270 L C -1.031 175.620 176.870 -0.365 0.000 1.024 270 L CA 0.034 54.683 54.840 -0.318 0.000 0.899 270 L CB 0.515 42.447 42.059 -0.211 0.000 1.243 270 L HN 0.197 nan 8.230 nan 0.000 0.449 271 F N 5.799 125.725 119.950 -0.041 0.000 2.423 271 F HA 0.388 4.915 4.527 -0.001 0.000 0.356 271 F C 0.425 175.991 175.800 -0.389 0.000 1.170 271 F CA -0.322 57.632 58.000 -0.078 0.000 1.163 271 F CB 0.153 39.254 39.000 0.168 0.000 1.318 271 F HN 0.232 nan 8.300 nan 0.000 0.569 272 I N 3.120 123.584 120.570 -0.176 0.000 2.307 272 I HA 0.111 4.281 4.170 -0.002 0.000 0.289 272 I C 0.009 175.984 176.117 -0.237 0.000 1.021 272 I CA -0.549 60.566 61.300 -0.309 0.000 1.224 272 I CB 0.798 38.667 38.000 -0.218 0.000 1.376 272 I HN 0.336 nan 8.210 nan 0.000 0.470 273 D N 8.123 128.308 120.400 -0.360 0.000 2.359 273 D HA 0.028 4.667 4.640 -0.002 0.000 0.250 273 D C -0.124 176.177 176.300 0.003 0.000 1.264 273 D CA 0.404 54.370 54.000 -0.056 0.000 0.911 273 D CB 0.143 41.036 40.800 0.155 0.000 1.056 273 D HN 0.450 nan 8.370 nan 0.000 0.499 274 N N 3.278 121.993 118.700 0.025 0.000 2.695 274 N HA -0.228 4.511 4.740 -0.002 0.000 0.281 274 N C 0.182 175.729 175.510 0.061 0.000 1.648 274 N CA 0.097 53.190 53.050 0.072 0.000 1.250 274 N CB -0.406 38.171 38.487 0.149 0.000 0.876 274 N HN 0.503 nan 8.380 nan 0.000 0.473 275 I N 3.895 124.495 120.570 0.049 0.000 3.956 275 I HA 0.138 4.307 4.170 -0.002 0.000 0.333 275 I C 1.620 177.852 176.117 0.192 0.000 1.302 275 I CA 0.008 61.351 61.300 0.072 0.000 1.122 275 I CB -0.110 37.877 38.000 -0.020 0.000 1.013 275 I HN 0.554 nan 8.210 nan 0.000 0.405 276 F N 1.405 121.387 119.950 0.054 0.000 2.113 276 F HA -0.102 4.425 4.527 -0.002 0.000 0.297 276 F C 2.212 178.061 175.800 0.081 0.000 1.103 276 F CA 1.352 59.392 58.000 0.068 0.000 1.248 276 F CB -0.290 38.783 39.000 0.122 0.000 0.999 276 F HN -0.091 nan 8.300 nan 0.000 0.475 277 R N 0.144 120.640 120.500 -0.007 0.000 2.249 277 R HA -0.205 4.134 4.340 -0.002 0.000 0.230 277 R C 2.068 178.292 176.300 -0.126 0.000 1.121 277 R CA 1.241 57.271 56.100 -0.116 0.000 0.997 277 R CB -1.713 28.626 30.300 0.065 0.000 0.867 277 R HN 0.505 nan 8.270 nan 0.000 0.465 278 F N 0.483 120.316 119.950 -0.195 0.000 2.234 278 F HA -0.064 4.462 4.527 -0.002 0.000 0.296 278 F C 1.858 177.538 175.800 -0.201 0.000 1.089 278 F CA 0.756 58.661 58.000 -0.159 0.000 1.343 278 F CB -0.218 38.708 39.000 -0.123 0.000 1.040 278 F HN -0.278 nan 8.300 nan 0.000 0.498 279 V N 0.821 120.357 119.914 -0.630 0.000 2.379 279 V HA -0.222 3.897 4.120 -0.002 0.000 0.243 279 V C 2.465 178.237 176.094 -0.536 0.000 1.035 279 V CA 1.875 63.761 62.300 -0.689 0.000 1.035 279 V CB -0.820 30.698 31.823 -0.508 0.000 0.673 279 V HN 0.450 nan 8.190 nan 0.000 0.457 280 Q N 0.620 119.982 119.800 -0.730 0.000 2.062 280 Q HA -0.284 4.055 4.340 -0.002 0.000 0.209 280 Q C 2.166 178.017 176.000 -0.249 0.000 0.996 280 Q CA 2.603 58.108 55.803 -0.496 0.000 0.859 280 Q CB -0.392 27.972 28.738 -0.623 0.000 0.920 280 Q HN 0.599 nan 8.270 nan 0.000 0.415 281 A N -0.048 122.624 122.820 -0.247 0.000 2.070 281 A HA -0.086 4.233 4.320 -0.002 0.000 0.220 281 A C 2.085 179.574 177.584 -0.159 0.000 1.159 281 A CA 1.479 53.425 52.037 -0.151 0.000 0.656 281 A CB -0.861 18.075 19.000 -0.106 0.000 0.800 281 A HN 0.637 nan 8.150 nan 0.000 0.453 282 G N -1.374 107.278 108.800 -0.248 0.000 2.453 282 G HA2 -0.040 3.919 3.960 -0.002 0.000 0.215 282 G HA3 -0.040 3.919 3.960 -0.002 0.000 0.215 282 G C 1.783 176.607 174.900 -0.126 0.000 1.147 282 G CA 1.126 46.087 45.100 -0.231 0.000 0.802 282 G HN 0.540 nan 8.290 nan 0.000 0.535 283 S N 0.502 116.150 115.700 -0.087 0.000 2.402 283 S HA -0.083 4.386 4.470 -0.002 0.000 0.229 283 S C 2.171 176.759 174.600 -0.019 0.000 1.021 283 S CA 1.585 59.786 58.200 0.002 0.000 0.974 283 S CB -0.256 62.996 63.200 0.087 0.000 0.800 283 S HN 0.574 nan 8.310 nan 0.000 0.484 284 E N 0.591 120.767 120.200 -0.040 0.000 2.204 284 E HA -0.086 4.263 4.350 -0.002 0.000 0.194 284 E C 2.117 178.700 176.600 -0.028 0.000 0.989 284 E CA 1.458 57.839 56.400 -0.032 0.000 0.824 284 E CB -0.203 29.475 29.700 -0.037 0.000 0.756 284 E HN 0.687 nan 8.360 nan 0.000 0.477 285 V N -1.710 118.183 119.914 -0.036 0.000 2.992 285 V HA -0.050 4.069 4.120 -0.002 0.000 0.250 285 V C 2.297 178.381 176.094 -0.017 0.000 1.090 285 V CA 1.039 63.323 62.300 -0.026 0.000 1.101 285 V CB 0.255 32.057 31.823 -0.034 0.000 0.743 285 V HN 0.108 nan 8.190 nan 0.000 0.468 286 S N 1.924 117.613 115.700 -0.017 0.000 2.482 286 S HA -0.270 4.199 4.470 -0.002 0.000 0.226 286 S C 2.200 176.800 174.600 0.001 0.000 1.048 286 S CA 2.886 61.083 58.200 -0.005 0.000 1.158 286 S CB -1.004 62.197 63.200 0.002 0.000 1.130 286 S HN 1.128 nan 8.310 nan 0.000 0.413 287 A N 0.998 123.818 122.820 0.000 0.000 2.032 287 A HA -0.019 4.300 4.320 -0.002 0.000 0.221 287 A C 2.337 179.921 177.584 -0.000 0.000 1.165 287 A CA 1.601 53.639 52.037 0.001 0.000 0.645 287 A CB -0.829 18.169 19.000 -0.003 0.000 0.807 287 A HN 0.652 nan 8.150 nan 0.000 0.453 288 L N -1.022 120.200 121.223 -0.003 0.000 2.291 288 L HA -0.019 4.320 4.340 -0.002 0.000 0.214 288 L C 2.020 178.891 176.870 0.002 0.000 1.120 288 L CA 0.734 55.572 54.840 -0.002 0.000 0.799 288 L CB -0.106 41.950 42.059 -0.006 0.000 0.925 288 L HN 0.430 nan 8.230 nan 0.000 0.446 289 L N -1.332 119.893 121.223 0.004 0.000 2.416 289 L HA 0.163 4.502 4.340 -0.002 0.000 0.216 289 L C 1.322 178.199 176.870 0.011 0.000 1.098 289 L CA 0.801 55.647 54.840 0.009 0.000 0.840 289 L CB 0.023 42.089 42.059 0.011 0.000 0.981 289 L HN 0.394 nan 8.230 nan 0.000 0.462 290 G N 0.042 108.848 108.800 0.009 0.000 2.151 290 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.140 290 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.140 290 G C 0.205 175.111 174.900 0.011 0.000 1.020 290 G CA -0.584 44.522 45.100 0.010 0.000 0.688 290 G HN 0.159 nan 8.290 nan 0.000 0.500 291 R N -0.666 119.841 120.500 0.011 0.000 2.524 291 R HA 0.803 5.142 4.340 -0.002 0.000 0.236 291 R C 0.416 176.723 176.300 0.012 0.000 1.240 291 R CA -0.650 55.458 56.100 0.013 0.000 1.111 291 R CB 0.449 30.758 30.300 0.015 0.000 1.436 291 R HN 0.234 nan 8.270 nan 0.000 0.573 292 M N 2.553 122.162 119.600 0.014 0.000 2.227 292 M HA 0.329 4.808 4.480 -0.002 0.000 0.335 292 M C -2.072 174.240 176.300 0.020 0.000 1.053 292 M CA -2.074 53.235 55.300 0.014 0.000 0.973 292 M CB 1.784 34.392 32.600 0.014 0.000 1.623 292 M HN 0.316 nan 8.290 nan 0.000 0.434 293 P HA 0.034 nan 4.420 nan 0.000 0.271 293 P C -0.511 176.811 177.300 0.036 0.000 1.233 293 P CA 0.054 63.169 63.100 0.025 0.000 0.795 293 P CB 0.936 32.642 31.700 0.009 0.000 0.936 294 S N -0.561 115.174 115.700 0.058 0.000 2.998 294 S HA 0.629 5.098 4.470 -0.002 0.000 0.307 294 S C -0.646 174.005 174.600 0.085 0.000 1.063 294 S CA -0.340 57.904 58.200 0.074 0.000 0.895 294 S CB 0.424 63.681 63.200 0.095 0.000 1.362 294 S HN 0.596 nan 8.310 nan 0.000 0.657 295 A N 0.917 123.802 122.820 0.109 0.000 2.537 295 A HA 0.441 4.760 4.320 -0.002 0.000 0.260 295 A C 0.609 178.286 177.584 0.156 0.000 1.082 295 A CA 0.482 52.589 52.037 0.117 0.000 0.765 295 A CB -1.422 17.653 19.000 0.125 0.000 1.019 295 A HN 1.641 nan 8.150 nan 0.000 0.507 296 V N 2.248 122.195 119.914 0.055 0.000 6.263 296 V HA -0.257 3.863 4.120 -0.002 0.000 0.332 296 V C 1.805 177.743 176.094 -0.260 0.000 0.485 296 V CA 1.237 63.504 62.300 -0.054 0.000 0.671 296 V CB -2.532 29.302 31.823 0.018 0.000 0.280 296 V HN 2.784 nan 8.190 nan 0.000 1.039 297 G N -1.017 107.702 108.800 -0.135 0.000 2.249 297 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.269 297 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.269 297 G C 0.056 174.889 174.900 -0.111 0.000 0.979 297 G CA 1.020 46.033 45.100 -0.144 0.000 0.644 297 G HN 1.058 nan 8.290 nan 0.000 0.546 298 Y N 1.841 122.156 120.300 0.025 0.000 2.426 298 Y HA 0.341 4.890 4.550 -0.002 0.000 0.344 298 Y C 1.437 177.335 175.900 -0.003 0.000 1.256 298 Y CA -0.236 57.869 58.100 0.009 0.000 1.451 298 Y CB 0.394 38.867 38.460 0.022 0.000 1.342 298 Y HN 0.469 nan 8.280 nan 0.000 0.600 299 Q N 4.230 124.132 119.800 0.171 0.000 2.524 299 Q HA 0.021 4.360 4.340 -0.002 0.000 0.246 299 Q C -2.204 173.834 176.000 0.065 0.000 1.063 299 Q CA -1.340 54.509 55.803 0.075 0.000 0.945 299 Q CB 0.448 29.203 28.738 0.028 0.000 1.292 299 Q HN 0.407 nan 8.270 nan 0.000 0.518 300 P HA -0.071 nan 4.420 nan 0.000 0.222 300 P C 0.676 177.993 177.300 0.028 0.000 1.153 300 P CA 1.309 64.431 63.100 0.037 0.000 0.798 300 P CB -0.008 31.710 31.700 0.029 0.000 0.796 301 T N -3.055 111.511 114.554 0.020 0.000 3.330 301 T HA 0.205 4.554 4.350 -0.002 0.000 0.249 301 T C 1.408 176.104 174.700 -0.006 0.000 0.980 301 T CA -0.372 61.736 62.100 0.014 0.000 0.920 301 T CB -0.957 67.922 68.868 0.018 0.000 1.065 301 T HN -0.049 nan 8.240 nan 0.000 0.588 302 L N 1.499 122.717 121.223 -0.009 0.000 2.093 302 L HA -0.084 4.255 4.340 -0.002 0.000 0.208 302 L C 2.544 179.393 176.870 -0.034 0.000 1.085 302 L CA 1.694 56.503 54.840 -0.052 0.000 0.755 302 L CB -0.233 41.789 42.059 -0.060 0.000 0.904 302 L HN 0.579 nan 8.230 nan 0.000 0.435 303 S N -3.227 112.479 115.700 0.010 0.000 2.528 303 S HA -0.031 4.438 4.470 -0.002 0.000 0.219 303 S C 1.495 176.129 174.600 0.057 0.000 0.985 303 S CA 0.645 58.874 58.200 0.048 0.000 0.914 303 S CB -0.058 63.178 63.200 0.060 0.000 0.776 303 S HN 0.382 nan 8.310 nan 0.000 0.526 304 T N 2.028 116.606 114.554 0.041 0.000 3.057 304 T HA 0.186 4.535 4.350 -0.002 0.000 0.254 304 T C 1.382 176.122 174.700 0.067 0.000 1.094 304 T CA 0.591 62.721 62.100 0.050 0.000 1.088 304 T CB 0.017 68.908 68.868 0.039 0.000 0.934 304 T HN 0.567 nan 8.240 nan 0.000 0.497 305 E N 0.858 121.091 120.200 0.055 0.000 2.127 305 E HA 0.222 4.571 4.350 -0.002 0.000 0.191 305 E C 1.786 178.509 176.600 0.205 0.000 0.964 305 E CA 0.264 56.720 56.400 0.093 0.000 0.832 305 E CB 0.018 29.699 29.700 -0.032 0.000 0.790 305 E HN 0.236 nan 8.360 nan 0.000 0.465 306 M N 0.783 120.461 119.600 0.130 0.000 2.561 306 M HA 0.078 4.557 4.480 -0.002 0.000 0.238 306 M C 1.316 177.587 176.300 -0.049 0.000 1.131 306 M CA 0.393 55.833 55.300 0.233 0.000 1.046 306 M CB 0.278 32.960 32.600 0.136 0.000 1.532 306 M HN 0.151 nan 8.290 nan 0.000 0.497 307 G N -0.993 107.788 108.800 -0.031 0.000 2.570 307 G HA2 -0.057 3.903 3.960 -0.002 0.000 0.209 307 G HA3 -0.057 3.903 3.960 -0.002 0.000 0.209 307 G C 1.275 176.151 174.900 -0.041 0.000 1.168 307 G CA 0.155 45.194 45.100 -0.101 0.000 0.831 307 G HN 0.428 nan 8.290 nan 0.000 0.564 308 S N 0.587 116.305 115.700 0.030 0.000 2.419 308 S HA 0.001 4.470 4.470 -0.002 0.000 0.235 308 S C 1.208 175.815 174.600 0.012 0.000 1.019 308 S CA 0.651 58.876 58.200 0.041 0.000 0.982 308 S CB -0.227 63.024 63.200 0.085 0.000 0.789 308 S HN 0.267 nan 8.310 nan 0.000 0.490 309 L N 1.188 122.399 121.223 -0.020 0.000 2.959 309 L HA 0.475 4.814 4.340 -0.002 0.000 0.236 309 L C 0.508 177.264 176.870 -0.189 0.000 1.296 309 L CA -0.116 54.657 54.840 -0.112 0.000 1.047 309 L CB 0.204 42.154 42.059 -0.181 0.000 1.395 309 L HN 0.054 nan 8.230 nan 0.000 0.492 310 Q N 0.292 120.001 119.800 -0.152 0.000 1.656 310 Q HA 0.092 4.431 4.340 -0.002 0.000 0.159 310 Q C 0.257 176.209 176.000 -0.080 0.000 0.744 310 Q CA 0.218 55.917 55.803 -0.173 0.000 0.767 310 Q CB 1.161 29.695 28.738 -0.339 0.000 1.205 310 Q HN 0.573 nan 8.270 nan 0.000 0.368 311 E N -0.304 119.868 120.200 -0.046 0.000 2.758 311 E HA 0.266 4.616 4.350 -0.002 0.000 0.215 311 E C 0.839 177.430 176.600 -0.014 0.000 0.985 311 E CA -0.018 56.382 56.400 0.000 0.000 1.102 311 E CB 1.043 30.766 29.700 0.039 0.000 1.042 311 E HN 0.067 nan 8.360 nan 0.000 0.480 312 R N 0.114 120.589 120.500 -0.041 0.000 2.342 312 R HA 0.318 4.658 4.340 -0.002 0.000 0.204 312 R C 0.869 177.130 176.300 -0.064 0.000 0.882 312 R CA 0.038 56.111 56.100 -0.045 0.000 1.041 312 R CB 0.860 31.131 30.300 -0.050 0.000 1.188 312 R HN -0.010 nan 8.270 nan 0.000 0.598 313 I N 2.134 122.654 120.570 -0.082 0.000 2.270 313 I HA 0.065 4.234 4.170 -0.002 0.000 0.300 313 I C -0.058 176.012 176.117 -0.078 0.000 1.186 313 I CA 0.380 61.621 61.300 -0.098 0.000 1.431 313 I CB 0.455 38.380 38.000 -0.125 0.000 1.485 313 I HN -0.009 nan 8.210 nan 0.000 0.650 314 T N 2.284 116.797 114.554 -0.068 0.000 2.749 314 T HA 0.308 4.657 4.350 -0.002 0.000 0.310 314 T C -0.881 173.783 174.700 -0.060 0.000 1.496 314 T CA -0.641 61.423 62.100 -0.061 0.000 1.006 314 T CB 1.459 70.304 68.868 -0.037 0.000 1.457 314 T HN 0.346 nan 8.240 nan 0.000 0.497 315 S N 1.779 117.442 115.700 -0.062 0.000 2.452 315 S HA 0.653 5.122 4.470 -0.002 0.000 0.284 315 S C 0.372 174.942 174.600 -0.051 0.000 1.171 315 S CA -0.236 57.928 58.200 -0.059 0.000 1.064 315 S CB 0.598 63.756 63.200 -0.070 0.000 0.967 315 S HN 1.027 nan 8.310 nan 0.000 0.484 316 T N 0.229 114.755 114.554 -0.046 0.000 2.919 316 T HA 0.490 4.839 4.350 -0.002 0.000 0.282 316 T C 0.781 175.453 174.700 -0.046 0.000 1.020 316 T CA -1.128 60.944 62.100 -0.047 0.000 0.994 316 T CB 0.906 69.749 68.868 -0.041 0.000 1.180 316 T HN 0.533 nan 8.240 nan 0.000 0.566 317 K N 0.177 120.548 120.400 -0.048 0.000 2.288 317 K HA -0.029 4.290 4.320 -0.002 0.000 0.201 317 K C 1.905 178.483 176.600 -0.037 0.000 1.048 317 K CA 1.141 57.402 56.287 -0.044 0.000 0.956 317 K CB -0.058 32.413 32.500 -0.048 0.000 0.746 317 K HN 0.670 nan 8.250 nan 0.000 0.461 318 E N 0.374 120.551 120.200 -0.037 0.000 2.268 318 E HA -0.051 4.298 4.350 -0.002 0.000 0.195 318 E C 1.144 177.725 176.600 -0.031 0.000 0.995 318 E CA 0.700 57.078 56.400 -0.036 0.000 0.836 318 E CB 0.224 29.899 29.700 -0.042 0.000 0.763 318 E HN 0.447 nan 8.360 nan 0.000 0.491 319 G N -0.406 108.377 108.800 -0.028 0.000 2.825 319 G HA2 0.289 4.248 3.960 -0.002 0.000 0.100 319 G HA3 0.289 4.248 3.960 -0.002 0.000 0.100 319 G C -1.064 173.826 174.900 -0.018 0.000 1.195 319 G CA 0.100 45.190 45.100 -0.017 0.000 1.317 319 G HN 0.064 nan 8.290 nan 0.000 0.632 320 S N -1.267 114.426 115.700 -0.013 0.000 2.597 320 S HA 0.613 5.082 4.470 -0.002 0.000 0.274 320 S C -2.363 172.215 174.600 -0.036 0.000 1.132 320 S CA -0.536 57.646 58.200 -0.030 0.000 0.835 320 S CB 1.470 64.653 63.200 -0.029 0.000 1.092 320 S HN 0.879 nan 8.310 nan 0.000 0.457 321 I N 3.200 123.724 120.570 -0.076 0.000 2.563 321 I HA 0.285 4.454 4.170 -0.002 0.000 0.285 321 I C -0.580 175.438 176.117 -0.166 0.000 1.123 321 I CA -0.245 60.994 61.300 -0.101 0.000 1.059 321 I CB 1.613 39.561 38.000 -0.087 0.000 1.229 321 I HN 0.719 nan 8.210 nan 0.000 0.442 322 T N 2.480 116.897 114.554 -0.227 0.000 3.336 322 T HA 0.178 4.527 4.350 -0.002 0.000 0.384 322 T C 0.510 175.030 174.700 -0.301 0.000 1.704 322 T CA -0.539 61.371 62.100 -0.315 0.000 1.334 322 T CB 0.000 68.565 68.868 -0.505 0.000 1.131 322 T HN 0.612 nan 8.240 nan 0.000 0.684 323 S N 2.503 118.053 115.700 -0.250 0.000 2.430 323 S HA 0.350 4.819 4.470 -0.002 0.000 0.282 323 S C 0.212 174.694 174.600 -0.197 0.000 1.186 323 S CA -0.774 57.279 58.200 -0.245 0.000 1.060 323 S CB -0.376 62.709 63.200 -0.192 0.000 0.966 323 S HN 0.607 nan 8.310 nan 0.000 0.501 324 I N 4.234 124.705 120.570 -0.165 0.000 2.256 324 I HA 0.137 4.306 4.170 -0.002 0.000 0.294 324 I C 0.519 176.660 176.117 0.039 0.000 1.127 324 I CA -0.300 60.999 61.300 -0.003 0.000 1.247 324 I CB 0.043 38.203 38.000 0.267 0.000 1.460 324 I HN 0.676 nan 8.210 nan 0.000 0.511 325 Q N 5.078 124.857 119.800 -0.034 0.000 2.214 325 Q HA 0.816 5.155 4.340 -0.002 0.000 0.251 325 Q C -0.537 175.430 176.000 -0.056 0.000 0.936 325 Q CA -0.911 54.860 55.803 -0.053 0.000 0.894 325 Q CB 2.393 31.070 28.738 -0.101 0.000 1.252 325 Q HN 0.659 nan 8.270 nan 0.000 0.448 326 A N 1.368 124.143 122.820 -0.075 0.000 2.355 326 A HA 0.759 5.078 4.320 -0.002 0.000 0.324 326 A C -0.953 176.508 177.584 -0.206 0.000 1.117 326 A CA -0.663 51.313 52.037 -0.102 0.000 0.785 326 A CB 1.537 20.547 19.000 0.016 0.000 1.254 326 A HN 0.452 nan 8.150 nan 0.000 0.453 327 V N 1.550 121.246 119.914 -0.364 0.000 2.686 327 V HA 0.273 4.392 4.120 -0.002 0.000 0.306 327 V C -1.172 174.809 176.094 -0.188 0.000 1.065 327 V CA -0.521 61.550 62.300 -0.380 0.000 0.894 327 V CB 1.548 32.742 31.823 -1.048 0.000 1.004 327 V HN 0.855 nan 8.190 nan 0.000 0.424 328 Y N 4.246 124.464 120.300 -0.135 0.000 2.319 328 Y HA 0.530 5.079 4.550 -0.002 0.000 0.328 328 Y C -0.011 175.598 175.900 -0.484 0.000 1.133 328 Y CA -0.223 57.695 58.100 -0.302 0.000 1.265 328 Y CB 1.442 39.665 38.460 -0.395 0.000 1.218 328 Y HN 0.398 nan 8.280 nan 0.000 0.508 329 V N 9.235 128.500 119.914 -1.080 0.000 2.277 329 V HA 0.261 4.380 4.120 -0.002 0.000 0.269 329 V C -2.296 173.287 176.094 -0.853 0.000 1.036 329 V CA -2.127 59.759 62.300 -0.690 0.000 0.821 329 V CB 0.652 32.295 31.823 -0.299 0.000 1.052 329 V HN 0.739 nan 8.190 nan 0.000 0.462 330 P HA 0.102 nan 4.420 nan 0.000 0.256 330 P C 0.663 177.913 177.300 -0.084 0.000 1.189 330 P CA 0.980 63.980 63.100 -0.167 0.000 0.808 330 P CB 0.372 32.106 31.700 0.057 0.000 0.793 331 A N 4.399 127.186 122.820 -0.056 0.000 2.925 331 A HA -0.247 4.073 4.320 -0.002 0.000 0.265 331 A C 0.974 178.532 177.584 -0.043 0.000 1.419 331 A CA 1.043 53.069 52.037 -0.018 0.000 0.807 331 A CB -2.624 16.386 19.000 0.016 0.000 1.043 331 A HN 0.627 nan 8.150 nan 0.000 0.600 332 D N -2.080 118.260 120.400 -0.100 0.000 2.978 332 D HA -0.171 4.468 4.640 -0.002 0.000 0.205 332 D C -0.148 176.130 176.300 -0.036 0.000 1.093 332 D CA 2.000 55.958 54.000 -0.070 0.000 1.006 332 D CB -1.035 39.747 40.800 -0.030 0.000 1.116 332 D HN 0.911 nan 8.370 nan 0.000 0.419 333 D N -0.068 120.315 120.400 -0.029 0.000 2.295 333 D HA 0.228 4.867 4.640 -0.002 0.000 0.248 333 D C 1.270 177.592 176.300 0.036 0.000 1.154 333 D CA -0.214 53.793 54.000 0.011 0.000 0.857 333 D CB 0.764 41.580 40.800 0.027 0.000 1.117 333 D HN 0.103 nan 8.370 nan 0.000 0.468 334 L N 2.594 123.853 121.223 0.061 0.000 2.240 334 L HA -0.076 4.263 4.340 -0.002 0.000 0.211 334 L C 2.432 179.385 176.870 0.138 0.000 1.106 334 L CA 1.034 55.946 54.840 0.120 0.000 0.793 334 L CB -0.598 41.531 42.059 0.117 0.000 0.927 334 L HN 0.523 nan 8.230 nan 0.000 0.446 335 T N -3.095 111.515 114.554 0.094 0.000 2.803 335 T HA -0.208 4.141 4.350 -0.002 0.000 0.269 335 T C 0.879 175.653 174.700 0.123 0.000 1.052 335 T CA 0.436 62.593 62.100 0.094 0.000 1.136 335 T CB -0.572 68.335 68.868 0.066 0.000 0.864 335 T HN 0.167 nan 8.240 nan 0.000 0.467 336 D N 3.058 123.540 120.400 0.136 0.000 2.730 336 D HA 0.029 4.669 4.640 -0.002 0.000 0.225 336 D C -1.484 174.931 176.300 0.192 0.000 1.107 336 D CA -1.487 52.633 54.000 0.201 0.000 0.837 336 D CB 0.948 41.871 40.800 0.205 0.000 1.171 336 D HN 0.091 nan 8.370 nan 0.000 0.498 337 P HA -0.172 nan 4.420 nan 0.000 0.215 337 P C 0.892 178.113 177.300 -0.132 0.000 1.157 337 P CA 2.280 65.416 63.100 0.060 0.000 0.874 337 P CB 0.043 31.824 31.700 0.134 0.000 0.790 338 A N 0.181 122.765 122.820 -0.394 0.000 1.865 338 A HA -0.140 4.179 4.320 -0.002 0.000 0.217 338 A C 0.077 177.673 177.584 0.020 0.000 1.191 338 A CA 2.417 54.273 52.037 -0.302 0.000 0.623 338 A CB -2.351 16.515 19.000 -0.222 0.000 0.826 338 A HN 0.248 nan 8.150 nan 0.000 0.444 339 P HA -0.013 nan 4.420 nan 0.000 0.218 339 P C 1.561 178.856 177.300 -0.007 0.000 1.152 339 P CA 1.692 64.869 63.100 0.129 0.000 0.826 339 P CB -0.110 31.669 31.700 0.133 0.000 0.790 340 A N 0.295 123.141 122.820 0.043 0.000 1.933 340 A HA -0.141 4.178 4.320 -0.002 0.000 0.218 340 A C 2.342 180.014 177.584 0.146 0.000 1.175 340 A CA 2.355 54.491 52.037 0.165 0.000 0.628 340 A CB -2.021 17.117 19.000 0.231 0.000 0.814 340 A HN 0.180 nan 8.150 nan 0.000 0.444 341 T N 0.335 114.944 114.554 0.090 0.000 2.759 341 T HA -0.151 4.198 4.350 -0.002 0.000 0.269 341 T C 1.976 176.798 174.700 0.203 0.000 1.042 341 T CA 1.978 64.153 62.100 0.124 0.000 1.140 341 T CB -0.631 68.283 68.868 0.077 0.000 0.864 341 T HN 0.679 nan 8.240 nan 0.000 0.455 342 T N 2.047 116.690 114.554 0.148 0.000 2.652 342 T HA -0.116 4.233 4.350 -0.002 0.000 0.267 342 T C 1.545 176.408 174.700 0.271 0.000 1.039 342 T CA 1.226 63.474 62.100 0.248 0.000 1.153 342 T CB -0.790 68.222 68.868 0.241 0.000 0.863 342 T HN 0.274 nan 8.240 nan 0.000 0.428 343 F N 2.367 122.446 119.950 0.216 0.000 2.063 343 F HA -0.273 4.253 4.527 -0.002 0.000 0.296 343 F C 2.819 178.611 175.800 -0.014 0.000 1.093 343 F CA 0.968 58.983 58.000 0.024 0.000 1.229 343 F CB -1.543 37.389 39.000 -0.112 0.000 0.971 343 F HN 0.213 nan 8.300 nan 0.000 0.491 344 A N -1.116 121.760 122.820 0.093 0.000 1.986 344 A HA -0.209 4.110 4.320 -0.002 0.000 0.220 344 A C 1.423 178.870 177.584 -0.228 0.000 1.171 344 A CA 1.758 53.708 52.037 -0.146 0.000 0.640 344 A CB -1.081 17.724 19.000 -0.325 0.000 0.811 344 A HN 0.582 nan 8.150 nan 0.000 0.451 345 H N -0.932 118.198 119.070 0.100 0.000 2.704 345 H HA 0.489 5.044 4.556 -0.002 0.000 0.315 345 H C -0.914 174.453 175.328 0.065 0.000 1.117 345 H CA 0.165 56.252 56.048 0.066 0.000 1.129 345 H CB -0.589 29.204 29.762 0.052 0.000 1.439 345 H HN 0.310 nan 8.280 nan 0.000 0.528 346 L N -0.145 121.158 121.223 0.133 0.000 2.455 346 L HA 0.220 4.559 4.340 -0.002 0.000 0.264 346 L C -0.077 176.831 176.870 0.064 0.000 0.968 346 L CA -0.612 54.295 54.840 0.111 0.000 0.827 346 L CB 2.593 44.764 42.059 0.187 0.000 1.317 346 L HN -0.074 nan 8.230 nan 0.000 0.407 347 D N 1.812 122.227 120.400 0.026 0.000 2.325 347 D HA 0.470 5.109 4.640 -0.002 0.000 0.225 347 D C 0.225 176.542 176.300 0.028 0.000 1.096 347 D CA 0.390 54.398 54.000 0.014 0.000 0.844 347 D CB 0.729 41.522 40.800 -0.013 0.000 0.925 347 D HN 0.589 nan 8.370 nan 0.000 0.513 348 A N -0.347 122.501 122.820 0.046 0.000 2.522 348 A HA 0.651 4.970 4.320 -0.002 0.000 0.291 348 A C -0.975 176.684 177.584 0.125 0.000 1.039 348 A CA -0.841 51.243 52.037 0.079 0.000 0.643 348 A CB 0.765 19.811 19.000 0.077 0.000 1.310 348 A HN 0.065 nan 8.150 nan 0.000 0.436 349 T N -1.999 112.653 114.554 0.164 0.000 2.821 349 T HA 0.795 5.144 4.350 -0.002 0.000 0.306 349 T C -0.882 173.966 174.700 0.246 0.000 1.313 349 T CA -0.279 61.961 62.100 0.233 0.000 1.012 349 T CB 1.869 70.849 68.868 0.186 0.000 1.298 349 T HN 1.227 nan 8.240 nan 0.000 0.502 350 T N 1.361 116.098 114.554 0.306 0.000 3.233 350 T HA 0.331 4.680 4.350 -0.002 0.000 0.324 350 T C -0.448 174.420 174.700 0.281 0.000 0.992 350 T CA -0.513 61.751 62.100 0.274 0.000 1.414 350 T CB 0.432 69.484 68.868 0.307 0.000 0.935 350 T HN 0.691 nan 8.240 nan 0.000 0.544 351 V N 4.100 124.146 119.914 0.220 0.000 2.397 351 V HA 0.210 4.329 4.120 -0.002 0.000 0.262 351 V C 0.185 176.373 176.094 0.157 0.000 1.047 351 V CA -0.581 61.842 62.300 0.206 0.000 1.003 351 V CB -0.166 31.733 31.823 0.127 0.000 1.037 351 V HN 0.535 nan 8.190 nan 0.000 0.480 352 L N 4.753 126.075 121.223 0.165 0.000 2.349 352 L HA 0.368 4.707 4.340 -0.002 0.000 0.275 352 L C 0.591 177.515 176.870 0.089 0.000 1.115 352 L CA 0.843 55.758 54.840 0.126 0.000 0.820 352 L CB 1.301 43.440 42.059 0.133 0.000 1.135 352 L HN 0.698 nan 8.230 nan 0.000 0.445 353 S N 2.809 118.549 115.700 0.066 0.000 2.617 353 S HA 0.437 4.906 4.470 -0.002 0.000 0.283 353 S C 1.017 175.635 174.600 0.030 0.000 1.189 353 S CA -0.536 57.688 58.200 0.039 0.000 1.036 353 S CB 1.041 64.257 63.200 0.026 0.000 1.014 353 S HN 0.721 nan 8.310 nan 0.000 0.522 354 R N 1.972 122.484 120.500 0.019 0.000 2.189 354 R HA 0.169 4.508 4.340 -0.002 0.000 0.203 354 R C 1.805 178.105 176.300 0.001 0.000 1.012 354 R CA 0.985 57.095 56.100 0.017 0.000 1.015 354 R CB -0.699 29.610 30.300 0.014 0.000 0.938 354 R HN 0.780 nan 8.270 nan 0.000 0.472 355 G N 0.580 109.378 108.800 -0.003 0.000 2.426 355 G HA2 -0.089 3.870 3.960 -0.002 0.000 0.214 355 G HA3 -0.089 3.870 3.960 -0.002 0.000 0.214 355 G C 1.274 176.157 174.900 -0.027 0.000 1.156 355 G CA -0.001 45.092 45.100 -0.011 0.000 0.802 355 G HN 0.174 nan 8.290 nan 0.000 0.534 356 L N 0.661 121.868 121.223 -0.027 0.000 2.552 356 L HA 0.182 4.521 4.340 -0.002 0.000 0.227 356 L C 2.885 179.677 176.870 -0.129 0.000 1.146 356 L CA 0.508 55.318 54.840 -0.049 0.000 0.858 356 L CB 0.059 42.108 42.059 -0.017 0.000 0.969 356 L HN 0.312 nan 8.230 nan 0.000 0.451 357 A N -0.333 122.415 122.820 -0.120 0.000 2.063 357 A HA 0.256 4.576 4.320 -0.002 0.000 0.211 357 A C 2.276 179.751 177.584 -0.181 0.000 1.177 357 A CA 0.780 52.687 52.037 -0.217 0.000 0.759 357 A CB -0.142 18.858 19.000 0.000 0.000 0.857 357 A HN 0.262 nan 8.150 nan 0.000 0.468 358 A N -0.271 122.499 122.820 -0.083 0.000 2.235 358 A HA 0.106 4.425 4.320 -0.002 0.000 0.208 358 A C 1.671 179.216 177.584 -0.064 0.000 1.172 358 A CA 0.882 52.892 52.037 -0.045 0.000 0.786 358 A CB -0.267 18.723 19.000 -0.018 0.000 0.804 358 A HN 0.433 nan 8.150 nan 0.000 0.479 359 K N -1.648 118.684 120.400 -0.114 0.000 2.353 359 K HA 0.249 4.568 4.320 -0.002 0.000 0.195 359 K C 1.075 177.594 176.600 -0.135 0.000 1.031 359 K CA 0.487 56.712 56.287 -0.104 0.000 1.079 359 K CB 0.322 32.770 32.500 -0.086 0.000 0.857 359 K HN 0.555 nan 8.250 nan 0.000 0.535 360 G N 1.761 110.435 108.800 -0.211 0.000 2.176 360 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.253 360 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.253 360 G C -0.068 174.741 174.900 -0.151 0.000 0.979 360 G CA -0.272 44.742 45.100 -0.143 0.000 0.641 360 G HN 0.131 nan 8.290 nan 0.000 0.530 361 I N 1.456 121.859 120.570 -0.279 0.000 2.322 361 I HA 0.556 4.725 4.170 -0.002 0.000 0.292 361 I C -0.220 175.713 176.117 -0.307 0.000 1.060 361 I CA -0.884 60.347 61.300 -0.115 0.000 1.309 361 I CB 0.239 38.215 38.000 -0.039 0.000 1.415 361 I HN 0.097 nan 8.210 nan 0.000 0.492 362 Y N 7.360 127.718 120.300 0.097 0.000 2.462 362 Y HA 0.503 5.052 4.550 -0.002 0.000 0.346 362 Y C -2.247 173.676 175.900 0.039 0.000 0.976 362 Y CA -2.930 55.176 58.100 0.010 0.000 1.044 362 Y CB 1.730 40.151 38.460 -0.065 0.000 1.230 362 Y HN 0.411 nan 8.280 nan 0.000 0.455 363 P HA 0.118 nan 4.420 nan 0.000 0.271 363 P C -0.608 176.805 177.300 0.189 0.000 1.220 363 P CA -0.056 63.147 63.100 0.172 0.000 0.768 363 P CB 0.909 32.709 31.700 0.167 0.000 0.848 364 A N 4.528 127.478 122.820 0.215 0.000 2.898 364 A HA 0.244 4.563 4.320 -0.002 0.000 0.288 364 A C 0.270 177.915 177.584 0.101 0.000 1.771 364 A CA 0.019 52.096 52.037 0.067 0.000 1.383 364 A CB -1.099 17.922 19.000 0.035 0.000 1.028 364 A HN 0.393 nan 8.150 nan 0.000 0.595 365 V N 3.230 123.206 119.914 0.103 0.000 2.409 365 V HA 0.172 4.291 4.120 -0.002 0.000 0.291 365 V C 0.101 176.247 176.094 0.087 0.000 1.020 365 V CA -0.949 61.420 62.300 0.115 0.000 0.848 365 V CB 1.718 33.627 31.823 0.143 0.000 0.990 365 V HN 0.782 nan 8.190 nan 0.000 0.430 366 D N 8.067 128.513 120.400 0.077 0.000 2.342 366 D HA 0.097 4.736 4.640 -0.002 0.000 0.260 366 D C -1.148 175.184 176.300 0.054 0.000 1.278 366 D CA -1.356 52.678 54.000 0.056 0.000 0.910 366 D CB 1.874 42.701 40.800 0.044 0.000 1.079 366 D HN 0.307 nan 8.370 nan 0.000 0.496 367 P HA -0.134 nan 4.420 nan 0.000 0.223 367 P C 1.548 178.858 177.300 0.018 0.000 1.144 367 P CA 0.662 63.782 63.100 0.033 0.000 0.783 367 P CB 0.508 32.225 31.700 0.028 0.000 0.771 368 L N -0.798 120.436 121.223 0.017 0.000 2.221 368 L HA 0.123 4.462 4.340 -0.002 0.000 0.202 368 L C 1.130 177.996 176.870 -0.007 0.000 1.074 368 L CA 0.736 55.576 54.840 0.001 0.000 0.795 368 L CB -0.503 41.554 42.059 -0.002 0.000 0.960 368 L HN -0.140 nan 8.230 nan 0.000 0.458 369 D N 0.540 120.940 120.400 0.001 0.000 2.564 369 D HA 0.220 4.859 4.640 -0.002 0.000 0.226 369 D C -1.002 175.309 176.300 0.018 0.000 1.149 369 D CA 0.285 54.276 54.000 -0.014 0.000 0.994 369 D CB 0.327 41.114 40.800 -0.021 0.000 1.029 369 D HN -0.110 nan 8.370 nan 0.000 0.517 370 S N 0.668 116.382 115.700 0.023 0.000 2.277 370 S HA 0.178 4.647 4.470 -0.002 0.000 0.230 370 S C -0.281 174.358 174.600 0.064 0.000 0.893 370 S CA -0.948 57.294 58.200 0.070 0.000 1.044 370 S CB 0.685 63.952 63.200 0.111 0.000 1.252 370 S HN 0.440 nan 8.310 nan 0.000 0.393 371 T N -0.579 114.005 114.554 0.050 0.000 2.910 371 T HA 0.889 5.238 4.350 -0.002 0.000 0.279 371 T C -0.054 174.696 174.700 0.085 0.000 0.989 371 T CA -0.890 61.238 62.100 0.047 0.000 0.968 371 T CB 1.873 70.743 68.868 0.004 0.000 1.135 371 T HN 0.585 nan 8.240 nan 0.000 0.562 372 S N -0.995 114.748 115.700 0.073 0.000 2.590 372 S HA 0.322 4.791 4.470 -0.002 0.000 0.286 372 S C 0.808 175.441 174.600 0.055 0.000 1.147 372 S CA -0.325 57.926 58.200 0.086 0.000 0.963 372 S CB 0.759 64.041 63.200 0.136 0.000 1.124 372 S HN 0.828 nan 8.310 nan 0.000 0.458 373 T N 4.412 118.989 114.554 0.039 0.000 2.778 373 T HA -0.128 4.221 4.350 -0.002 0.000 0.269 373 T C 1.552 176.259 174.700 0.012 0.000 1.050 373 T CA 1.519 63.631 62.100 0.020 0.000 1.137 373 T CB -0.305 68.570 68.868 0.010 0.000 0.860 373 T HN 0.659 nan 8.240 nan 0.000 0.468 374 M N 0.730 120.345 119.600 0.024 0.000 2.691 374 M HA 0.225 4.704 4.480 -0.002 0.000 0.227 374 M C 0.149 176.436 176.300 -0.022 0.000 1.120 374 M CA 0.301 55.605 55.300 0.006 0.000 1.034 374 M CB -0.364 32.258 32.600 0.037 0.000 1.675 374 M HN 0.144 nan 8.290 nan 0.000 0.514 375 L N 1.484 122.707 121.223 0.001 0.000 2.821 375 L HA 0.095 4.434 4.340 -0.002 0.000 0.239 375 L C -0.220 176.658 176.870 0.013 0.000 1.391 375 L CA 0.113 54.964 54.840 0.018 0.000 1.231 375 L CB -0.584 41.521 42.059 0.077 0.000 1.598 375 L HN 0.308 nan 8.230 nan 0.000 0.428 376 Q N 0.469 120.172 119.800 -0.161 0.000 2.375 376 Q HA 0.305 4.644 4.340 -0.002 0.000 0.271 376 Q C -1.783 173.909 176.000 -0.513 0.000 1.074 376 Q CA -1.921 53.650 55.803 -0.387 0.000 0.808 376 Q CB 2.335 30.942 28.738 -0.217 0.000 1.327 376 Q HN -0.071 nan 8.270 nan 0.000 0.441 377 P HA -0.131 nan 4.420 nan 0.000 0.223 377 P C 0.487 177.644 177.300 -0.238 0.000 1.151 377 P CA 1.034 63.835 63.100 -0.499 0.000 0.787 377 P CB 0.352 31.730 31.700 -0.537 0.000 0.788 378 R N -0.670 119.697 120.500 -0.222 0.000 2.307 378 R HA 0.111 4.451 4.340 -0.002 0.000 0.199 378 R C 1.398 177.648 176.300 -0.084 0.000 1.000 378 R CA 0.551 56.578 56.100 -0.122 0.000 1.023 378 R CB -0.023 30.213 30.300 -0.106 0.000 0.908 378 R HN 0.264 nan 8.270 nan 0.000 0.473 379 I N -1.436 119.078 120.570 -0.094 0.000 4.592 379 I HA -0.001 4.168 4.170 -0.002 0.000 0.329 379 I C 1.598 177.707 176.117 -0.014 0.000 1.309 379 I CA 0.526 61.799 61.300 -0.045 0.000 1.243 379 I CB 0.296 38.272 38.000 -0.041 0.000 1.241 379 I HN -0.092 nan 8.210 nan 0.000 0.434 380 V N -1.485 118.410 119.914 -0.033 0.000 3.103 380 V HA 0.866 4.985 4.120 -0.002 0.000 0.229 380 V C 0.786 176.940 176.094 0.100 0.000 1.304 380 V CA 0.602 62.934 62.300 0.055 0.000 1.298 380 V CB 0.550 32.369 31.823 -0.008 0.000 1.093 380 V HN 0.331 nan 8.190 nan 0.000 0.489 381 G N 0.127 108.951 108.800 0.040 0.000 2.337 381 G HA2 0.241 4.200 3.960 -0.002 0.000 0.310 381 G HA3 0.241 4.200 3.960 -0.002 0.000 0.310 381 G C -0.536 174.432 174.900 0.114 0.000 1.534 381 G CA 0.102 45.252 45.100 0.084 0.000 0.982 381 G HN 0.151 nan 8.290 nan 0.000 0.672 382 E N 0.047 120.317 120.200 0.116 0.000 2.107 382 E HA 0.026 4.375 4.350 -0.002 0.000 0.191 382 E C 2.054 178.770 176.600 0.192 0.000 0.982 382 E CA 1.402 57.904 56.400 0.170 0.000 0.809 382 E CB 0.109 29.882 29.700 0.121 0.000 0.756 382 E HN 0.664 nan 8.360 nan 0.000 0.459 383 E N -0.317 119.980 120.200 0.161 0.000 2.150 383 E HA -0.213 4.136 4.350 -0.002 0.000 0.193 383 E C 1.908 178.633 176.600 0.208 0.000 0.985 383 E CA 0.941 57.432 56.400 0.152 0.000 0.814 383 E CB -0.031 29.742 29.700 0.122 0.000 0.752 383 E HN 0.474 nan 8.360 nan 0.000 0.466 384 H N -1.635 117.503 119.070 0.113 0.000 2.403 384 H HA -0.105 4.450 4.556 -0.001 0.000 0.298 384 H C 1.895 177.313 175.328 0.149 0.000 1.059 384 H CA 0.978 57.094 56.048 0.113 0.000 1.363 384 H CB 0.124 29.948 29.762 0.103 0.000 1.410 384 H HN 0.255 nan 8.280 nan 0.000 0.528 385 Y N 1.482 121.819 120.300 0.062 0.000 2.114 385 Y HA -0.186 4.363 4.550 -0.002 0.000 0.284 385 Y C 2.481 178.389 175.900 0.013 0.000 1.119 385 Y CA 1.680 59.764 58.100 -0.028 0.000 1.108 385 Y CB 0.123 38.562 38.460 -0.034 0.000 0.995 385 Y HN 0.283 nan 8.280 nan 0.000 0.491 386 E N 0.556 120.776 120.200 0.034 0.000 2.021 386 E HA -0.285 4.064 4.350 -0.002 0.000 0.200 386 E C 2.111 178.678 176.600 -0.054 0.000 1.015 386 E CA 2.064 58.424 56.400 -0.068 0.000 0.824 386 E CB -0.385 29.331 29.700 0.026 0.000 0.762 386 E HN 0.534 nan 8.360 nan 0.000 0.454 387 I N 1.337 121.923 120.570 0.027 0.000 2.194 387 I HA -0.339 3.830 4.170 -0.002 0.000 0.246 387 I C 2.589 178.693 176.117 -0.021 0.000 1.093 387 I CA 1.076 62.397 61.300 0.034 0.000 1.355 387 I CB -0.434 37.624 38.000 0.097 0.000 1.046 387 I HN 0.129 nan 8.210 nan 0.000 0.413 388 A N 0.245 123.057 122.820 -0.013 0.000 1.873 388 A HA -0.301 4.018 4.320 -0.002 0.000 0.218 388 A C 2.283 179.805 177.584 -0.104 0.000 1.193 388 A CA 1.962 53.969 52.037 -0.050 0.000 0.629 388 A CB -0.698 18.303 19.000 0.003 0.000 0.826 388 A HN 0.510 nan 8.150 nan 0.000 0.447 389 Q N -1.017 118.691 119.800 -0.155 0.000 2.049 389 Q HA -0.136 4.203 4.340 -0.002 0.000 0.198 389 Q C 2.378 178.319 176.000 -0.098 0.000 0.971 389 Q CA 1.296 57.004 55.803 -0.159 0.000 0.833 389 Q CB -0.206 28.379 28.738 -0.256 0.000 0.896 389 Q HN 0.640 nan 8.270 nan 0.000 0.434 390 R N 0.105 120.558 120.500 -0.078 0.000 2.103 390 R HA -0.160 4.179 4.340 -0.002 0.000 0.242 390 R C 2.319 178.606 176.300 -0.023 0.000 1.142 390 R CA 1.520 57.598 56.100 -0.037 0.000 0.960 390 R CB -0.579 29.715 30.300 -0.010 0.000 0.858 390 R HN 0.096 nan 8.270 nan 0.000 0.439 391 V N 1.433 121.324 119.914 -0.039 0.000 2.358 391 V HA -0.247 3.872 4.120 -0.002 0.000 0.246 391 V C 1.977 178.051 176.094 -0.033 0.000 1.047 391 V CA 1.821 64.096 62.300 -0.042 0.000 1.035 391 V CB -0.318 31.404 31.823 -0.167 0.000 0.658 391 V HN 0.337 nan 8.190 nan 0.000 0.452 392 K N -0.327 120.043 120.400 -0.050 0.000 2.217 392 K HA -0.100 4.219 4.320 -0.002 0.000 0.202 392 K C 2.035 178.625 176.600 -0.018 0.000 1.051 392 K CA 1.025 57.292 56.287 -0.033 0.000 0.952 392 K CB -0.120 32.353 32.500 -0.046 0.000 0.736 392 K HN 0.549 nan 8.250 nan 0.000 0.453 393 E N 0.497 120.683 120.200 -0.024 0.000 2.038 393 E HA -0.163 4.186 4.350 -0.002 0.000 0.195 393 E C 1.939 178.543 176.600 0.007 0.000 1.000 393 E CA 1.776 58.167 56.400 -0.015 0.000 0.803 393 E CB -0.186 29.502 29.700 -0.020 0.000 0.750 393 E HN 0.256 nan 8.360 nan 0.000 0.448 394 T N 1.582 116.145 114.554 0.016 0.000 2.788 394 T HA -0.106 4.243 4.350 -0.002 0.000 0.268 394 T C 1.899 176.641 174.700 0.070 0.000 1.044 394 T CA 0.696 62.819 62.100 0.039 0.000 1.139 394 T CB -0.142 68.744 68.868 0.030 0.000 0.867 394 T HN 0.058 nan 8.240 nan 0.000 0.454 395 L N 0.660 121.917 121.223 0.057 0.000 2.456 395 L HA -0.033 4.306 4.340 -0.002 0.000 0.224 395 L C 2.589 179.502 176.870 0.072 0.000 1.148 395 L CA 0.770 55.660 54.840 0.083 0.000 0.825 395 L CB -0.132 41.958 42.059 0.052 0.000 0.937 395 L HN 0.201 nan 8.230 nan 0.000 0.450 396 Q N -0.360 119.464 119.800 0.041 0.000 2.304 396 Q HA -0.029 4.310 4.340 -0.002 0.000 0.204 396 Q C 2.135 178.146 176.000 0.018 0.000 0.936 396 Q CA 0.921 56.734 55.803 0.016 0.000 0.878 396 Q CB 0.180 28.917 28.738 -0.002 0.000 0.983 396 Q HN 0.228 nan 8.270 nan 0.000 0.516 397 R N -0.675 119.847 120.500 0.037 0.000 2.096 397 R HA -0.184 4.155 4.340 -0.002 0.000 0.229 397 R C 2.223 178.556 176.300 0.056 0.000 1.134 397 R CA 1.805 57.929 56.100 0.040 0.000 0.917 397 R CB -0.935 29.396 30.300 0.053 0.000 0.832 397 R HN 0.321 nan 8.270 nan 0.000 0.430 398 Y N 2.009 122.303 120.300 -0.011 0.000 2.193 398 Y HA -0.279 4.270 4.550 -0.001 0.000 0.285 398 Y C 2.265 178.159 175.900 -0.010 0.000 1.166 398 Y CA 1.737 59.831 58.100 -0.010 0.000 1.181 398 Y CB -0.155 38.299 38.460 -0.009 0.000 0.976 398 Y HN -0.045 nan 8.280 nan 0.000 0.520 399 K N 0.294 120.622 120.400 -0.120 0.000 2.211 399 K HA -0.162 4.157 4.320 -0.002 0.000 0.203 399 K C 1.436 177.921 176.600 -0.191 0.000 1.050 399 K CA 1.748 57.918 56.287 -0.195 0.000 0.945 399 K CB -0.112 32.359 32.500 -0.048 0.000 0.732 399 K HN 0.501 nan 8.250 nan 0.000 0.451 400 E N -0.060 120.064 120.200 -0.126 0.000 2.479 400 E HA 0.010 4.359 4.350 -0.002 0.000 0.193 400 E C 1.237 177.770 176.600 -0.112 0.000 1.049 400 E CA 0.063 56.404 56.400 -0.098 0.000 0.870 400 E CB 0.398 30.066 29.700 -0.054 0.000 0.944 400 E HN 0.315 nan 8.360 nan 0.000 0.492 401 L N 0.130 121.252 121.223 -0.169 0.000 2.609 401 L HA 0.056 4.396 4.340 -0.002 0.000 0.230 401 L C 2.141 178.881 176.870 -0.217 0.000 1.087 401 L CA 0.115 54.870 54.840 -0.142 0.000 0.874 401 L CB 0.071 42.090 42.059 -0.067 0.000 1.114 401 L HN 0.057 nan 8.230 nan 0.000 0.488 402 Q N 0.735 120.305 119.800 -0.383 0.000 1.921 402 Q HA -0.234 4.105 4.340 -0.002 0.000 0.208 402 Q C 1.479 177.375 176.000 -0.174 0.000 0.994 402 Q CA 1.957 57.539 55.803 -0.368 0.000 0.857 402 Q CB -0.166 28.317 28.738 -0.426 0.000 0.925 402 Q HN 0.424 nan 8.270 nan 0.000 0.421 403 D N 0.284 120.600 120.400 -0.140 0.000 2.228 403 D HA -0.171 4.468 4.640 -0.002 0.000 0.203 403 D C 1.851 178.112 176.300 -0.066 0.000 0.988 403 D CA 0.962 54.911 54.000 -0.085 0.000 0.864 403 D CB -0.054 40.703 40.800 -0.072 0.000 0.928 403 D HN 0.241 nan 8.370 nan 0.000 0.469 404 I N 1.310 121.836 120.570 -0.073 0.000 2.206 404 I HA -0.153 4.016 4.170 -0.002 0.000 0.239 404 I C 2.794 178.889 176.117 -0.037 0.000 1.078 404 I CA 0.690 61.960 61.300 -0.049 0.000 1.367 404 I CB -1.192 36.780 38.000 -0.047 0.000 1.078 404 I HN 0.043 nan 8.210 nan 0.000 0.413 405 I N 0.115 120.661 120.570 -0.039 0.000 2.439 405 I HA -0.031 4.138 4.170 -0.002 0.000 0.251 405 I C 2.479 178.589 176.117 -0.012 0.000 1.139 405 I CA 1.342 62.633 61.300 -0.015 0.000 1.438 405 I CB -0.666 37.337 38.000 0.005 0.000 1.085 405 I HN 0.013 nan 8.210 nan 0.000 0.427 406 A N 1.050 123.855 122.820 -0.026 0.000 2.186 406 A HA -0.045 4.274 4.320 -0.002 0.000 0.219 406 A C 2.046 179.622 177.584 -0.013 0.000 1.159 406 A CA 1.578 53.605 52.037 -0.018 0.000 0.680 406 A CB -0.492 18.490 19.000 -0.031 0.000 0.787 406 A HN 0.608 nan 8.150 nan 0.000 0.467 407 I N -2.923 117.638 120.570 -0.015 0.000 4.866 407 I HA 0.130 4.299 4.170 -0.002 0.000 0.325 407 I C 1.336 177.448 176.117 -0.009 0.000 1.240 407 I CA 0.419 61.712 61.300 -0.011 0.000 1.355 407 I CB -0.375 37.616 38.000 -0.015 0.000 1.395 407 I HN 0.178 nan 8.210 nan 0.000 0.479 408 L N 1.020 122.237 121.223 -0.010 0.000 2.611 408 L HA 0.321 4.660 4.340 -0.002 0.000 0.229 408 L C 1.376 178.245 176.870 -0.002 0.000 1.137 408 L CA 0.479 55.315 54.840 -0.007 0.000 0.901 408 L CB -0.411 41.642 42.059 -0.009 0.000 1.098 408 L HN 0.414 nan 8.230 nan 0.000 0.456 409 G N 0.587 109.387 108.800 0.000 0.000 2.564 409 G HA2 -0.325 3.634 3.960 -0.002 0.000 0.273 409 G HA3 -0.325 3.634 3.960 -0.002 0.000 0.273 409 G C 0.307 175.213 174.900 0.010 0.000 1.242 409 G CA 0.265 45.368 45.100 0.006 0.000 0.951 409 G HN 0.160 nan 8.290 nan 0.000 0.564 410 L N -0.668 120.562 121.223 0.011 0.000 3.066 410 L HA 0.217 4.556 4.340 -0.002 0.000 0.272 410 L C 1.915 178.792 176.870 0.011 0.000 1.101 410 L CA 0.469 55.318 54.840 0.015 0.000 1.022 410 L CB -0.004 42.068 42.059 0.020 0.000 1.600 410 L HN 0.499 nan 8.230 nan 0.000 0.559 411 D N 1.480 121.885 120.400 0.008 0.000 2.254 411 D HA -0.215 4.424 4.640 -0.002 0.000 0.201 411 D C 1.282 177.585 176.300 0.005 0.000 0.998 411 D CA 1.469 55.472 54.000 0.006 0.000 0.885 411 D CB 0.167 40.970 40.800 0.005 0.000 0.915 411 D HN 0.343 nan 8.370 nan 0.000 0.460 412 E N -0.249 119.954 120.200 0.005 0.000 2.501 412 E HA 0.164 4.514 4.350 -0.002 0.000 0.201 412 E C 0.541 177.144 176.600 0.004 0.000 1.016 412 E CA -0.271 56.132 56.400 0.004 0.000 0.920 412 E CB 0.594 30.295 29.700 0.002 0.000 1.023 412 E HN 0.313 nan 8.360 nan 0.000 0.474 413 L N 2.439 123.667 121.223 0.007 0.000 2.367 413 L HA 0.074 4.413 4.340 -0.002 0.000 0.275 413 L C 0.759 177.634 176.870 0.009 0.000 1.129 413 L CA -0.255 54.590 54.840 0.009 0.000 0.839 413 L CB 0.794 42.862 42.059 0.015 0.000 1.133 413 L HN 0.019 nan 8.230 nan 0.000 0.453 414 S N 2.286 117.991 115.700 0.008 0.000 2.573 414 S HA 0.025 4.494 4.470 -0.002 0.000 0.277 414 S C 0.794 175.399 174.600 0.008 0.000 1.346 414 S CA -0.660 57.544 58.200 0.007 0.000 1.034 414 S CB 0.848 64.051 63.200 0.006 0.000 0.879 414 S HN 0.591 nan 8.310 nan 0.000 0.528 415 E N 0.633 120.837 120.200 0.006 0.000 2.515 415 E HA -0.038 4.312 4.350 -0.002 0.000 0.201 415 E C 0.911 177.515 176.600 0.006 0.000 1.071 415 E CA 0.422 56.826 56.400 0.006 0.000 0.880 415 E CB -0.101 29.602 29.700 0.004 0.000 0.828 415 E HN 0.696 nan 8.360 nan 0.000 0.540 416 E N 0.125 120.328 120.200 0.006 0.000 2.474 416 E HA 0.003 4.353 4.350 -0.002 0.000 0.195 416 E C 0.221 176.826 176.600 0.009 0.000 1.039 416 E CA 0.235 56.639 56.400 0.006 0.000 0.881 416 E CB 0.479 30.182 29.700 0.005 0.000 0.970 416 E HN 0.184 nan 8.360 nan 0.000 0.486 417 D N -0.938 119.470 120.400 0.013 0.000 2.473 417 D HA 0.104 4.743 4.640 -0.002 0.000 0.230 417 D C 1.517 177.833 176.300 0.027 0.000 1.097 417 D CA -0.024 53.987 54.000 0.020 0.000 0.861 417 D CB 0.448 41.259 40.800 0.019 0.000 1.114 417 D HN -0.075 nan 8.370 nan 0.000 0.500 418 R N 0.312 120.824 120.500 0.020 0.000 2.280 418 R HA 0.043 4.383 4.340 -0.002 0.000 0.207 418 R C 1.507 177.814 176.300 0.011 0.000 1.043 418 R CA 0.379 56.492 56.100 0.021 0.000 1.006 418 R CB 0.041 30.350 30.300 0.015 0.000 0.885 418 R HN 0.160 nan 8.270 nan 0.000 0.467 419 L N 1.158 122.385 121.223 0.007 0.000 2.179 419 L HA -0.094 4.245 4.340 -0.002 0.000 0.208 419 L C 2.438 179.304 176.870 -0.008 0.000 1.096 419 L CA 1.830 56.668 54.840 -0.004 0.000 0.779 419 L CB -0.526 41.531 42.059 -0.003 0.000 0.922 419 L HN 0.183 nan 8.230 nan 0.000 0.443 420 T N -3.886 110.674 114.554 0.010 0.000 2.746 420 T HA -0.155 4.194 4.350 -0.002 0.000 0.267 420 T C 1.832 176.536 174.700 0.007 0.000 1.039 420 T CA 1.571 63.683 62.100 0.020 0.000 1.142 420 T CB -1.080 67.817 68.868 0.050 0.000 0.866 420 T HN 0.107 nan 8.240 nan 0.000 0.444 421 V N 3.060 122.990 119.914 0.025 0.000 2.214 421 V HA -0.152 3.967 4.120 -0.002 0.000 0.247 421 V C 3.326 179.333 176.094 -0.145 0.000 1.051 421 V CA 2.043 64.329 62.300 -0.024 0.000 1.003 421 V CB -1.738 30.110 31.823 0.043 0.000 0.635 421 V HN 0.710 nan 8.190 nan 0.000 0.447 422 A N 0.145 122.909 122.820 -0.092 0.000 1.884 422 A HA -0.311 4.008 4.320 -0.002 0.000 0.219 422 A C 2.343 179.837 177.584 -0.149 0.000 1.197 422 A CA 2.594 54.566 52.037 -0.108 0.000 0.637 422 A CB -0.694 18.268 19.000 -0.064 0.000 0.827 422 A HN 0.568 nan 8.150 nan 0.000 0.450 423 R N -0.750 119.677 120.500 -0.121 0.000 2.083 423 R HA -0.119 4.220 4.340 -0.002 0.000 0.237 423 R C 2.545 178.755 176.300 -0.150 0.000 1.137 423 R CA 1.333 57.351 56.100 -0.138 0.000 0.951 423 R CB -0.632 29.621 30.300 -0.077 0.000 0.851 423 R HN 0.544 nan 8.270 nan 0.000 0.434 424 A N 1.496 124.237 122.820 -0.131 0.000 1.883 424 A HA -0.185 4.134 4.320 -0.002 0.000 0.217 424 A C 2.132 179.594 177.584 -0.205 0.000 1.186 424 A CA 1.366 53.324 52.037 -0.132 0.000 0.624 424 A CB -0.461 18.462 19.000 -0.129 0.000 0.822 424 A HN 0.231 nan 8.150 nan 0.000 0.444 425 R N -0.527 119.785 120.500 -0.314 0.000 2.241 425 R HA -0.078 4.261 4.340 -0.002 0.000 0.224 425 R C 1.763 177.945 176.300 -0.196 0.000 1.101 425 R CA 1.456 57.383 56.100 -0.288 0.000 0.995 425 R CB -0.142 29.979 30.300 -0.299 0.000 0.870 425 R HN 0.518 nan 8.270 nan 0.000 0.463 426 K N -0.315 119.925 120.400 -0.268 0.000 2.356 426 K HA 0.099 4.418 4.320 -0.002 0.000 0.195 426 K C 1.670 178.059 176.600 -0.353 0.000 1.037 426 K CA 0.492 56.480 56.287 -0.498 0.000 1.014 426 K CB 0.371 32.380 32.500 -0.819 0.000 0.815 426 K HN 0.132 nan 8.250 nan 0.000 0.507 427 I N 1.024 121.530 120.570 -0.106 0.000 2.296 427 I HA -0.157 4.012 4.170 -0.002 0.000 0.242 427 I C 1.597 177.854 176.117 0.234 0.000 1.087 427 I CA 1.068 62.476 61.300 0.179 0.000 1.393 427 I CB -0.086 38.025 38.000 0.185 0.000 1.093 427 I HN 0.103 nan 8.210 nan 0.000 0.421 428 E N 0.802 121.058 120.200 0.094 0.000 2.331 428 E HA -0.181 4.168 4.350 -0.002 0.000 0.199 428 E C 2.069 178.747 176.600 0.129 0.000 1.008 428 E CA 0.794 57.250 56.400 0.093 0.000 0.843 428 E CB 0.001 29.709 29.700 0.014 0.000 0.761 428 E HN 0.439 nan 8.360 nan 0.000 0.507 429 R N -0.840 119.749 120.500 0.148 0.000 2.225 429 R HA 0.063 4.402 4.340 -0.002 0.000 0.194 429 R C 1.612 178.129 176.300 0.361 0.000 0.957 429 R CA 0.087 56.330 56.100 0.238 0.000 1.042 429 R CB 0.073 30.504 30.300 0.218 0.000 1.004 429 R HN 0.096 nan 8.270 nan 0.000 0.509 430 F N 1.106 121.150 119.950 0.156 0.000 2.661 430 F HA 0.118 4.644 4.527 -0.002 0.000 0.298 430 F C 1.151 177.085 175.800 0.223 0.000 1.137 430 F CA 0.655 58.741 58.000 0.144 0.000 1.454 430 F CB 0.197 39.129 39.000 -0.114 0.000 1.103 430 F HN -0.123 nan 8.300 nan 0.000 0.577 431 L N -0.269 121.139 121.223 0.308 0.000 2.737 431 L HA 0.157 4.496 4.340 -0.002 0.000 0.236 431 L C 0.434 177.408 176.870 0.173 0.000 1.219 431 L CA 0.020 55.019 54.840 0.265 0.000 1.021 431 L CB -0.513 41.704 42.059 0.264 0.000 1.291 431 L HN -0.033 nan 8.230 nan 0.000 0.470 432 S N 0.583 116.375 115.700 0.153 0.000 2.519 432 S HA 0.460 4.929 4.470 -0.002 0.000 0.309 432 S C -0.834 173.830 174.600 0.107 0.000 1.100 432 S CA -0.423 57.876 58.200 0.165 0.000 1.059 432 S CB 1.364 64.714 63.200 0.251 0.000 1.008 432 S HN 0.323 nan 8.310 nan 0.000 0.478 433 Q N 5.249 125.144 119.800 0.158 0.000 2.268 433 Q HA 0.458 4.797 4.340 -0.002 0.000 0.266 433 Q C -2.784 173.392 176.000 0.293 0.000 1.006 433 Q CA -2.139 53.761 55.803 0.163 0.000 0.824 433 Q CB 2.256 31.092 28.738 0.164 0.000 1.306 433 Q HN 0.423 nan 8.270 nan 0.000 0.424 434 P HA 0.198 nan 4.420 nan 0.000 0.274 434 P C -0.935 176.693 177.300 0.547 0.000 1.260 434 P CA -0.124 63.130 63.100 0.257 0.000 0.793 434 P CB 0.614 32.350 31.700 0.060 0.000 1.048 435 F N -1.734 118.265 119.950 0.080 0.000 2.579 435 F HA 0.335 4.861 4.527 -0.002 0.000 0.324 435 F C 1.229 177.101 175.800 0.120 0.000 1.058 435 F CA -0.953 57.154 58.000 0.177 0.000 0.944 435 F CB 0.618 39.724 39.000 0.177 0.000 1.245 435 F HN 0.100 nan 8.300 nan 0.000 0.477 436 F N 0.420 120.413 119.950 0.072 0.000 2.661 436 F HA 0.018 4.544 4.527 -0.001 0.000 0.298 436 F C 1.673 177.498 175.800 0.041 0.000 1.137 436 F CA 0.595 58.592 58.000 -0.004 0.000 1.454 436 F CB -0.546 38.421 39.000 -0.055 0.000 1.103 436 F HN 0.124 nan 8.300 nan 0.000 0.577 437 V N -1.375 118.724 119.914 0.308 0.000 3.048 437 V HA 0.204 4.323 4.120 -0.002 0.000 0.241 437 V C 1.924 178.084 176.094 0.111 0.000 1.129 437 V CA 0.926 63.345 62.300 0.198 0.000 1.128 437 V CB -0.533 31.441 31.823 0.252 0.000 0.849 437 V HN 0.143 nan 8.190 nan 0.000 0.475 438 A N -0.097 122.850 122.820 0.213 0.000 2.503 438 A HA 0.148 4.467 4.320 -0.002 0.000 0.263 438 A C 1.380 178.949 177.584 -0.024 0.000 1.360 438 A CA -0.020 52.079 52.037 0.104 0.000 0.969 438 A CB -0.689 18.452 19.000 0.236 0.000 1.000 438 A HN 0.557 nan 8.150 nan 0.000 0.530 439 E N -0.401 119.755 120.200 -0.073 0.000 2.516 439 E HA -0.077 4.272 4.350 -0.002 0.000 0.199 439 E C 1.362 177.863 176.600 -0.164 0.000 1.069 439 E CA 1.002 57.337 56.400 -0.108 0.000 0.876 439 E CB -0.017 29.612 29.700 -0.118 0.000 0.843 439 E HN 0.686 nan 8.360 nan 0.000 0.530 440 V N -3.592 116.134 119.914 -0.314 0.000 3.661 440 V HA 0.122 4.241 4.120 -0.002 0.000 0.271 440 V C 1.210 177.086 176.094 -0.363 0.000 1.315 440 V CA 0.229 62.293 62.300 -0.393 0.000 1.072 440 V CB -0.247 31.240 31.823 -0.561 0.000 0.830 440 V HN 0.023 nan 8.190 nan 0.000 0.443 441 F N 2.074 121.999 119.950 -0.042 0.000 2.602 441 F HA 0.211 4.737 4.527 -0.001 0.000 0.284 441 F C 2.562 178.354 175.800 -0.013 0.000 1.111 441 F CA 1.154 59.122 58.000 -0.053 0.000 1.405 441 F CB -0.664 38.248 39.000 -0.147 0.000 1.121 441 F HN 0.273 nan 8.300 nan 0.000 0.603 442 T N -3.343 111.298 114.554 0.145 0.000 2.866 442 T HA 0.388 4.737 4.350 -0.002 0.000 0.250 442 T C 1.956 176.681 174.700 0.041 0.000 1.033 442 T CA 0.966 63.124 62.100 0.096 0.000 1.145 442 T CB -0.418 68.484 68.868 0.055 0.000 0.866 442 T HN 0.389 nan 8.240 nan 0.000 0.434 443 G N 1.197 109.995 108.800 -0.003 0.000 2.159 443 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.227 443 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.227 443 G C 0.187 175.057 174.900 -0.049 0.000 0.986 443 G CA 0.276 45.361 45.100 -0.025 0.000 0.651 443 G HN 1.387 nan 8.290 nan 0.000 0.523 444 S N 0.128 115.789 115.700 -0.066 0.000 2.566 444 S HA 0.855 5.324 4.470 -0.002 0.000 0.298 444 S C -2.533 171.981 174.600 -0.144 0.000 1.083 444 S CA -1.296 56.847 58.200 -0.095 0.000 0.978 444 S CB 3.120 66.262 63.200 -0.096 0.000 1.073 444 S HN 0.316 nan 8.310 nan 0.000 0.491 445 P HA 0.243 nan 4.420 nan 0.000 0.271 445 P C 0.565 177.635 177.300 -0.383 0.000 1.216 445 P CA 0.122 63.051 63.100 -0.285 0.000 0.771 445 P CB 0.161 31.716 31.700 -0.241 0.000 0.864 446 G N 3.215 111.596 108.800 -0.698 0.000 2.667 446 G HA2 0.296 4.255 3.960 -0.002 0.000 0.250 446 G HA3 0.296 4.255 3.960 -0.002 0.000 0.250 446 G C -0.397 174.114 174.900 -0.648 0.000 1.212 446 G CA -0.358 44.242 45.100 -0.832 0.000 0.874 446 G HN 0.445 nan 8.290 nan 0.000 0.561 447 K N 0.201 120.558 120.400 -0.072 0.000 2.581 447 K HA 0.133 4.452 4.320 -0.002 0.000 0.249 447 K C -1.534 175.231 176.600 0.276 0.000 0.966 447 K CA -0.450 55.893 56.287 0.093 0.000 0.811 447 K CB 1.965 34.475 32.500 0.016 0.000 1.223 447 K HN 0.631 nan 8.250 nan 0.000 0.438 448 Y N 1.318 121.753 120.300 0.226 0.000 2.436 448 Y HA 0.194 4.743 4.550 -0.001 0.000 0.343 448 Y C 0.645 176.540 175.900 -0.007 0.000 1.008 448 Y CA -0.947 57.152 58.100 -0.002 0.000 1.241 448 Y CB 0.949 39.339 38.460 -0.116 0.000 1.153 448 Y HN 0.091 nan 8.280 nan 0.000 0.521 449 V N 4.748 124.737 119.914 0.125 0.000 2.257 449 V HA 0.311 4.430 4.120 -0.002 0.000 0.269 449 V C 0.727 176.832 176.094 0.019 0.000 1.040 449 V CA -0.779 61.557 62.300 0.060 0.000 0.813 449 V CB 0.418 32.257 31.823 0.027 0.000 1.065 449 V HN 0.982 nan 8.190 nan 0.000 0.457 450 G N 2.350 111.155 108.800 0.009 0.000 2.583 450 G HA2 0.315 4.274 3.960 -0.002 0.000 0.275 450 G HA3 0.315 4.274 3.960 -0.002 0.000 0.275 450 G C 0.930 175.818 174.900 -0.020 0.000 1.342 450 G CA -0.433 44.651 45.100 -0.027 0.000 1.030 450 G HN 0.530 nan 8.290 nan 0.000 0.520 451 L N 0.254 121.449 121.223 -0.046 0.000 1.921 451 L HA -0.191 4.148 4.340 -0.002 0.000 0.219 451 L C 3.471 180.319 176.870 -0.037 0.000 1.081 451 L CA 1.911 56.703 54.840 -0.081 0.000 0.771 451 L CB -0.899 41.093 42.059 -0.110 0.000 0.888 451 L HN 0.608 nan 8.230 nan 0.000 0.433 452 A N -0.258 122.552 122.820 -0.016 0.000 1.929 452 A HA -0.286 4.033 4.320 -0.002 0.000 0.221 452 A C 2.134 179.750 177.584 0.053 0.000 1.211 452 A CA 2.245 54.293 52.037 0.018 0.000 0.657 452 A CB -0.678 18.335 19.000 0.021 0.000 0.827 452 A HN 0.549 nan 8.150 nan 0.000 0.462 453 E N -0.740 119.494 120.200 0.057 0.000 2.110 453 E HA -0.119 4.230 4.350 -0.002 0.000 0.193 453 E C 2.151 178.837 176.600 0.143 0.000 0.988 453 E CA 1.684 58.136 56.400 0.088 0.000 0.804 453 E CB -0.838 28.907 29.700 0.074 0.000 0.745 453 E HN 0.686 nan 8.360 nan 0.000 0.458 454 T N 1.786 116.424 114.554 0.140 0.000 2.732 454 T HA -0.006 4.343 4.350 -0.002 0.000 0.261 454 T C 2.210 177.128 174.700 0.363 0.000 1.040 454 T CA 0.702 62.953 62.100 0.252 0.000 1.145 454 T CB -0.227 68.751 68.868 0.183 0.000 0.866 454 T HN 0.077 nan 8.240 nan 0.000 0.427 455 I N 1.066 121.752 120.570 0.193 0.000 2.151 455 I HA -0.270 3.899 4.170 -0.002 0.000 0.243 455 I C 2.827 179.074 176.117 0.217 0.000 1.080 455 I CA 1.584 62.989 61.300 0.175 0.000 1.339 455 I CB -0.414 37.620 38.000 0.056 0.000 1.039 455 I HN 0.167 nan 8.210 nan 0.000 0.409 456 R N 0.622 121.222 120.500 0.166 0.000 2.066 456 R HA -0.072 4.267 4.340 -0.002 0.000 0.232 456 R C 2.513 178.900 176.300 0.144 0.000 1.131 456 R CA 1.373 57.553 56.100 0.134 0.000 0.955 456 R CB -0.891 29.465 30.300 0.092 0.000 0.851 456 R HN 0.458 nan 8.270 nan 0.000 0.432 457 G N 0.798 109.706 108.800 0.180 0.000 2.505 457 G HA2 -0.274 3.685 3.960 -0.002 0.000 0.220 457 G HA3 -0.274 3.685 3.960 -0.002 0.000 0.220 457 G C 1.115 175.995 174.900 -0.033 0.000 1.145 457 G CA 0.882 46.045 45.100 0.106 0.000 0.761 457 G HN 0.191 nan 8.290 nan 0.000 0.571 458 F N 0.226 120.307 119.950 0.219 0.000 2.367 458 F HA 0.100 4.627 4.527 -0.001 0.000 0.298 458 F C 2.829 178.665 175.800 0.060 0.000 1.094 458 F CA 1.245 59.335 58.000 0.150 0.000 1.409 458 F CB -0.176 38.941 39.000 0.195 0.000 1.064 458 F HN 0.184 nan 8.300 nan 0.000 0.528 459 Q N 0.566 120.504 119.800 0.229 0.000 2.124 459 Q HA -0.155 4.184 4.340 -0.002 0.000 0.202 459 Q C 1.933 177.977 176.000 0.072 0.000 0.977 459 Q CA 1.376 57.260 55.803 0.136 0.000 0.850 459 Q CB -0.177 28.630 28.738 0.115 0.000 0.901 459 Q HN 0.439 nan 8.270 nan 0.000 0.429 460 L N 0.066 121.312 121.223 0.038 0.000 2.465 460 L HA -0.075 4.264 4.340 -0.002 0.000 0.224 460 L C 1.902 178.756 176.870 -0.027 0.000 1.145 460 L CA 0.389 55.227 54.840 -0.003 0.000 0.834 460 L CB -0.227 41.816 42.059 -0.028 0.000 0.944 460 L HN 0.324 nan 8.230 nan 0.000 0.451 461 I N -0.375 120.172 120.570 -0.039 0.000 2.364 461 I HA -0.171 3.998 4.170 -0.002 0.000 0.241 461 I C 2.058 178.162 176.117 -0.022 0.000 1.082 461 I CA 0.722 61.975 61.300 -0.079 0.000 1.401 461 I CB -0.093 37.824 38.000 -0.138 0.000 1.126 461 I HN 0.109 nan 8.210 nan 0.000 0.429 462 L N 0.966 122.212 121.223 0.038 0.000 2.549 462 L HA -0.126 4.213 4.340 -0.002 0.000 0.230 462 L C 2.122 179.005 176.870 0.022 0.000 1.162 462 L CA 0.912 55.775 54.840 0.039 0.000 0.834 462 L CB -0.758 41.342 42.059 0.069 0.000 0.947 462 L HN 0.352 nan 8.230 nan 0.000 0.452 463 S N -1.646 114.064 115.700 0.015 0.000 2.524 463 S HA 0.246 4.715 4.470 -0.002 0.000 0.215 463 S C 1.522 176.123 174.600 0.002 0.000 0.986 463 S CA 0.252 58.459 58.200 0.012 0.000 0.911 463 S CB 0.678 63.888 63.200 0.017 0.000 0.805 463 S HN 0.444 nan 8.310 nan 0.000 0.501 464 G N 1.765 110.561 108.800 -0.007 0.000 2.160 464 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.251 464 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.251 464 G C 0.244 175.142 174.900 -0.004 0.000 1.008 464 G CA 0.423 45.517 45.100 -0.010 0.000 0.724 464 G HN 0.614 nan 8.290 nan 0.000 0.514 465 E N -0.782 119.416 120.200 -0.003 0.000 2.489 465 E HA 0.315 4.664 4.350 -0.002 0.000 0.193 465 E C 1.467 178.071 176.600 0.006 0.000 1.057 465 E CA 0.237 56.638 56.400 0.001 0.000 0.866 465 E CB 0.146 29.845 29.700 -0.000 0.000 0.916 465 E HN 0.623 nan 8.360 nan 0.000 0.500 466 L N -0.056 121.176 121.223 0.014 0.000 3.483 466 L HA 0.188 4.527 4.340 -0.002 0.000 0.327 466 L C 0.638 177.541 176.870 0.055 0.000 1.318 466 L CA -0.198 54.675 54.840 0.055 0.000 0.979 466 L CB 0.694 42.827 42.059 0.122 0.000 1.404 466 L HN -0.096 nan 8.230 nan 0.000 0.615 467 D N 0.772 121.182 120.400 0.017 0.000 2.351 467 D HA -0.115 4.525 4.640 -0.002 0.000 0.216 467 D C 2.033 178.345 176.300 0.020 0.000 0.968 467 D CA 1.620 55.623 54.000 0.005 0.000 0.899 467 D CB 0.417 41.215 40.800 -0.004 0.000 0.907 467 D HN 0.467 nan 8.370 nan 0.000 0.514 468 S N -0.383 115.336 115.700 0.031 0.000 2.421 468 S HA 0.013 4.482 4.470 -0.002 0.000 0.224 468 S C 1.255 175.885 174.600 0.049 0.000 1.035 468 S CA -0.193 58.024 58.200 0.029 0.000 0.953 468 S CB -0.280 62.930 63.200 0.017 0.000 0.810 468 S HN 0.095 nan 8.310 nan 0.000 0.497 469 L N 3.976 125.248 121.223 0.083 0.000 2.525 469 L HA 0.223 4.562 4.340 -0.002 0.000 0.278 469 L C -1.854 175.127 176.870 0.185 0.000 1.218 469 L CA -1.465 53.444 54.840 0.115 0.000 0.878 469 L CB -0.197 41.946 42.059 0.139 0.000 1.127 469 L HN 0.222 nan 8.230 nan 0.000 0.492 470 P HA 0.089 nan 4.420 nan 0.000 0.274 470 P C -0.085 177.364 177.300 0.247 0.000 1.256 470 P CA -0.424 62.755 63.100 0.133 0.000 0.795 470 P CB 0.855 32.599 31.700 0.074 0.000 1.038 471 E N 0.188 120.487 120.200 0.164 0.000 2.031 471 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 471 E C 1.583 178.350 176.600 0.279 0.000 0.994 471 E CA 1.043 57.553 56.400 0.183 0.000 0.800 471 E CB -0.313 29.415 29.700 0.047 0.000 0.752 471 E HN 0.440 nan 8.360 nan 0.000 0.447 472 Q N -0.065 119.838 119.800 0.172 0.000 2.594 472 Q HA -0.018 4.321 4.340 -0.002 0.000 0.219 472 Q C 1.310 177.431 176.000 0.202 0.000 0.980 472 Q CA 0.612 56.531 55.803 0.193 0.000 0.962 472 Q CB -0.025 28.784 28.738 0.117 0.000 0.987 472 Q HN 0.280 nan 8.270 nan 0.000 0.553 473 A N -1.185 121.738 122.820 0.172 0.000 2.169 473 A HA 0.111 4.430 4.320 -0.002 0.000 0.210 473 A C 1.136 178.603 177.584 -0.195 0.000 1.168 473 A CA 0.094 52.087 52.037 -0.074 0.000 0.813 473 A CB 0.051 18.897 19.000 -0.258 0.000 0.861 473 A HN 0.239 nan 8.150 nan 0.000 0.481 474 F N -2.304 117.724 119.950 0.130 0.000 2.731 474 F HA 0.240 4.766 4.527 -0.001 0.000 0.298 474 F C 0.645 176.610 175.800 0.275 0.000 1.106 474 F CA -0.825 57.309 58.000 0.224 0.000 1.329 474 F CB -0.271 38.846 39.000 0.194 0.000 1.100 474 F HN 0.267 nan 8.300 nan 0.000 0.592 475 Y N 2.229 122.685 120.300 0.260 0.000 2.465 475 Y HA 0.297 4.846 4.550 -0.001 0.000 0.331 475 Y C 0.687 176.661 175.900 0.123 0.000 1.102 475 Y CA -1.207 56.994 58.100 0.169 0.000 1.358 475 Y CB 0.094 38.627 38.460 0.123 0.000 1.213 475 Y HN 0.150 nan 8.280 nan 0.000 0.525 476 L N 5.702 126.732 121.223 -0.323 0.000 3.677 476 L HA -0.202 4.138 4.340 -0.002 0.000 0.464 476 L C -0.613 176.169 176.870 -0.147 0.000 1.278 476 L CA 0.661 55.289 54.840 -0.354 0.000 0.806 476 L CB -1.842 39.802 42.059 -0.692 0.000 1.610 476 L HN 0.546 nan 8.230 nan 0.000 0.867 477 V N -3.589 116.305 119.914 -0.032 0.000 2.960 477 V HA 0.950 5.069 4.120 -0.002 0.000 0.315 477 V C 1.044 177.138 176.094 -0.000 0.000 1.087 477 V CA 0.114 62.416 62.300 0.003 0.000 0.982 477 V CB 1.770 33.639 31.823 0.078 0.000 1.039 477 V HN 0.135 nan 8.190 nan 0.000 0.437 478 G N 2.383 111.186 108.800 0.005 0.000 2.607 478 G HA2 0.082 4.041 3.960 -0.002 0.000 0.215 478 G HA3 0.082 4.041 3.960 -0.002 0.000 0.215 478 G C 0.472 175.389 174.900 0.028 0.000 1.275 478 G CA 0.288 45.392 45.100 0.008 0.000 0.842 478 G HN 0.769 nan 8.290 nan 0.000 0.555 479 N N -0.683 118.070 118.700 0.089 0.000 2.741 479 N HA 0.273 5.012 4.740 -0.002 0.000 0.310 479 N C 0.924 176.614 175.510 0.300 0.000 1.295 479 N CA -0.813 52.340 53.050 0.170 0.000 0.893 479 N CB 1.573 40.124 38.487 0.107 0.000 1.247 479 N HN 0.024 nan 8.380 nan 0.000 0.596 480 I N 1.130 121.876 120.570 0.294 0.000 2.394 480 I HA -0.188 3.981 4.170 -0.002 0.000 0.251 480 I C 0.957 177.040 176.117 -0.057 0.000 1.136 480 I CA 1.606 62.923 61.300 0.028 0.000 1.425 480 I CB -0.350 37.592 38.000 -0.098 0.000 1.079 480 I HN 0.373 nan 8.210 nan 0.000 0.425 481 D N 0.564 120.959 120.400 -0.008 0.000 2.144 481 D HA -0.182 4.457 4.640 -0.002 0.000 0.199 481 D C 1.944 178.214 176.300 -0.051 0.000 0.984 481 D CA 1.316 55.294 54.000 -0.036 0.000 0.834 481 D CB -0.187 40.607 40.800 -0.010 0.000 0.955 481 D HN 0.490 nan 8.370 nan 0.000 0.465 482 E N -0.392 119.797 120.200 -0.018 0.000 2.478 482 E HA 0.050 4.399 4.350 -0.002 0.000 0.198 482 E C 1.062 177.616 176.600 -0.076 0.000 1.046 482 E CA 0.294 56.675 56.400 -0.031 0.000 0.870 482 E CB 0.167 29.865 29.700 -0.002 0.000 0.818 482 E HN 0.192 nan 8.360 nan 0.000 0.527 483 A N 0.546 123.284 122.820 -0.137 0.000 2.465 483 A HA 0.109 4.428 4.320 -0.002 0.000 0.255 483 A C 0.503 177.819 177.584 -0.446 0.000 1.274 483 A CA -0.043 51.782 52.037 -0.354 0.000 0.920 483 A CB 0.478 19.158 19.000 -0.533 0.000 1.033 483 A HN -0.016 nan 8.150 nan 0.000 0.516 484 T N 0.611 115.013 114.554 -0.252 0.000 3.418 484 T HA 0.653 5.002 4.350 -0.002 0.000 0.315 484 T C -0.382 174.243 174.700 -0.125 0.000 1.447 484 T CA 0.446 62.427 62.100 -0.198 0.000 1.641 484 T CB 0.387 69.166 68.868 -0.149 0.000 0.904 484 T HN 0.848 nan 8.240 nan 0.000 0.640 485 A N 0.000 122.752 122.820 -0.113 0.000 2.254 485 A HA 0.000 4.319 4.320 -0.002 0.000 0.244 485 A CA 0.000 51.992 52.037 -0.075 0.000 0.836 485 A CB 0.000 18.960 19.000 -0.066 0.000 0.831 485 A HN 0.000 nan 8.150 nan 0.000 0.486