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 2nvv_1_E DATA FIRST_RESID 2 DATA SEQUENCE ALRFITAEEA AEFVHHNDNV GFSGFTPAGN PKVVPAAIAK RAIAAHEKGN DATA SEQUENCE PFKIGXFTGA STGARLDGVL AQADAVKFRT PYQSNKDLRN LINNGSTSYF DATA SEQUENCE DLHLSTLAQD LRYGFYGKVD VAIIEVADVT EDGKILPTTG VGILPTICRL DATA SEQUENCE ADRIIVELND KHPKEIXGXH DLCEPLDPPA RRELPVYTPS DRIGKPYVQV DATA SEQUENCE DPAKIVGVVR TSEPNDESDF APLDPVTQAI GDNVAAFLVS EXKAGRIPKD DATA SEQUENCE FLPLQSGVGN VANAVLGALG DNPDIPAFNX YTEVIQDAVI ALXKKGRIKF DATA SEQUENCE ASGCSLSVSR SVIQDIYANL DFFKDKILLR PQEYSNNPEI VRRLGVITIN DATA SEQUENCE TALEADIFGN INSTHVSGTR XXNGIGGSGD FTRNSYVSIF TTPSVXKDGK DATA SEQUENCE ISSFVPXVAH HDHSEHSVKV IISEWGVADL RGKNPRERAH EIIDKCVHPD DATA SEQUENCE YRPLLRQYLE LGVKGQTPQN LDCCFAFHQE LAKSGDXRNV RWEDY 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.582 177.584 -0.004 0.000 1.274 2 A CA 0.000 52.045 52.037 0.013 0.000 0.836 2 A CB 0.000 19.023 19.000 0.038 0.000 0.831 3 L N 1.583 122.798 121.223 -0.013 0.000 2.462 3 L HA 0.341 4.695 4.340 0.025 0.000 0.272 3 L C 1.076 177.888 176.870 -0.098 0.000 1.166 3 L CA 0.959 55.734 54.840 -0.109 0.000 0.880 3 L CB 0.036 41.999 42.059 -0.160 0.000 1.142 3 L HN 0.674 nan 8.230 nan 0.000 0.473 4 R N 3.599 123.996 120.500 -0.172 0.000 2.294 4 R HA 0.382 4.737 4.340 0.025 0.000 0.319 4 R C -1.214 174.947 176.300 -0.232 0.000 0.984 4 R CA -0.534 55.522 56.100 -0.074 0.000 0.861 4 R CB 0.537 30.820 30.300 -0.027 0.000 1.104 4 R HN 0.326 nan 8.270 nan 0.000 0.451 5 F N 6.239 126.190 119.950 0.002 0.000 2.410 5 F HA 0.382 4.924 4.527 0.025 0.000 0.349 5 F C 0.690 176.501 175.800 0.018 0.000 1.117 5 F CA -0.455 57.547 58.000 0.004 0.000 1.104 5 F CB 1.057 40.060 39.000 0.004 0.000 1.122 5 F HN 0.391 nan 8.300 nan 0.000 0.483 6 I N -1.222 119.419 120.570 0.119 0.000 3.457 6 I HA 0.719 4.904 4.170 0.025 0.000 0.307 6 I C -0.319 175.857 176.117 0.099 0.000 1.138 6 I CA -1.066 60.298 61.300 0.108 0.000 0.974 6 I CB 2.012 40.069 38.000 0.095 0.000 1.324 6 I HN 0.460 nan 8.210 nan 0.000 0.485 7 T N -1.225 113.383 114.554 0.089 0.000 2.881 7 T HA 0.594 4.959 4.350 0.025 0.000 0.278 7 T C 0.938 175.679 174.700 0.068 0.000 0.982 7 T CA -0.127 62.017 62.100 0.073 0.000 0.989 7 T CB 1.612 70.516 68.868 0.060 0.000 1.058 7 T HN 0.833 nan 8.240 nan 0.000 0.529 8 A N 0.094 122.947 122.820 0.055 0.000 2.067 8 A HA 0.046 4.381 4.320 0.025 0.000 0.219 8 A C 2.014 179.629 177.584 0.051 0.000 1.158 8 A CA 1.123 53.190 52.037 0.050 0.000 0.661 8 A CB -0.863 18.160 19.000 0.040 0.000 0.801 8 A HN 0.877 nan 8.150 nan 0.000 0.452 9 E N 0.166 120.394 120.200 0.046 0.000 2.122 9 E HA -0.057 4.307 4.350 0.025 0.000 0.190 9 E C 1.864 178.496 176.600 0.053 0.000 0.977 9 E CA 1.235 57.656 56.400 0.035 0.000 0.820 9 E CB -0.199 29.513 29.700 0.021 0.000 0.770 9 E HN 0.742 nan 8.360 nan 0.000 0.462 10 E N 0.653 120.901 120.200 0.080 0.000 2.106 10 E HA -0.105 4.260 4.350 0.025 0.000 0.192 10 E C 2.038 178.778 176.600 0.234 0.000 0.984 10 E CA 0.906 57.376 56.400 0.116 0.000 0.806 10 E CB -0.146 29.637 29.700 0.138 0.000 0.750 10 E HN 0.243 nan 8.360 nan 0.000 0.458 11 A N 1.698 124.653 122.820 0.226 0.000 1.902 11 A HA -0.087 4.247 4.320 0.025 0.000 0.217 11 A C 2.417 180.169 177.584 0.280 0.000 1.181 11 A CA 1.552 53.755 52.037 0.276 0.000 0.623 11 A CB -0.608 18.448 19.000 0.093 0.000 0.818 11 A HN 0.280 nan 8.150 nan 0.000 0.443 12 A N -0.154 122.751 122.820 0.142 0.000 2.070 12 A HA -0.145 4.190 4.320 0.025 0.000 0.220 12 A C 1.766 179.381 177.584 0.050 0.000 1.159 12 A CA 1.464 53.552 52.037 0.084 0.000 0.656 12 A CB -0.492 18.527 19.000 0.032 0.000 0.800 12 A HN 0.671 nan 8.150 nan 0.000 0.453 13 E N -1.241 118.974 120.200 0.026 0.000 2.347 13 E HA -0.103 4.262 4.350 0.025 0.000 0.196 13 E C 0.726 177.161 176.600 -0.276 0.000 1.008 13 E CA 0.640 56.971 56.400 -0.116 0.000 0.852 13 E CB -0.199 29.390 29.700 -0.186 0.000 0.783 13 E HN 0.783 nan 8.360 nan 0.000 0.505 14 F N 0.349 120.218 119.950 -0.135 0.000 2.811 14 F HA 0.025 4.567 4.527 0.025 0.000 0.301 14 F C 0.652 176.217 175.800 -0.390 0.000 1.151 14 F CA 0.127 58.019 58.000 -0.179 0.000 1.412 14 F CB 0.525 39.488 39.000 -0.062 0.000 1.113 14 F HN -0.246 nan 8.300 nan 0.000 0.579 15 V N 1.226 120.985 119.914 -0.259 0.000 2.398 15 V HA 0.297 4.431 4.120 0.025 0.000 0.286 15 V C -0.208 175.675 176.094 -0.351 0.000 1.026 15 V CA -0.848 61.325 62.300 -0.211 0.000 0.868 15 V CB 0.922 32.770 31.823 0.041 0.000 0.982 15 V HN 0.092 nan 8.190 nan 0.000 0.443 16 H N 2.140 121.224 119.070 0.023 0.000 2.771 16 H HA 0.410 4.981 4.556 0.025 0.000 0.367 16 H C -0.229 174.796 175.328 -0.505 0.000 1.172 16 H CA -0.667 55.295 56.048 -0.143 0.000 1.186 16 H CB 1.530 31.245 29.762 -0.077 0.000 1.790 16 H HN 0.767 nan 8.280 nan 0.000 0.556 17 H N 1.342 119.937 119.070 -0.792 0.000 3.001 17 H HA -0.141 4.430 4.556 0.025 0.000 0.334 17 H C 0.233 175.371 175.328 -0.317 0.000 1.034 17 H CA 1.240 56.786 56.048 -0.836 0.000 1.420 17 H CB 0.431 29.837 29.762 -0.592 0.000 1.405 17 H HN 0.820 nan 8.280 nan 0.000 0.593 18 N N 2.030 120.223 118.700 -0.845 0.000 2.965 18 N HA -0.199 4.556 4.740 0.025 0.000 0.232 18 N C -1.212 174.154 175.510 -0.240 0.000 0.913 18 N CA 1.243 53.945 53.050 -0.579 0.000 0.981 18 N CB -0.751 37.356 38.487 -0.634 0.000 1.077 18 N HN 0.629 nan 8.380 nan 0.000 0.589 19 D N 0.303 120.590 120.400 -0.188 0.000 2.341 19 D HA 0.201 4.856 4.640 0.025 0.000 0.245 19 D C 0.022 176.279 176.300 -0.071 0.000 1.106 19 D CA 0.132 54.091 54.000 -0.068 0.000 0.905 19 D CB 0.348 41.131 40.800 -0.028 0.000 1.202 19 D HN 0.174 nan 8.370 nan 0.000 0.426 20 N N 0.590 119.293 118.700 0.004 0.000 2.425 20 N HA 0.296 5.051 4.740 0.025 0.000 0.268 20 N C -0.937 174.576 175.510 0.005 0.000 0.991 20 N CA -0.359 52.692 53.050 0.001 0.000 0.931 20 N CB 1.577 40.229 38.487 0.276 0.000 1.130 20 N HN 0.021 nan 8.380 nan 0.000 0.493 21 V N 0.466 120.307 119.914 -0.121 0.000 2.495 21 V HA 0.720 4.855 4.120 0.025 0.000 0.298 21 V C 0.737 176.628 176.094 -0.339 0.000 1.031 21 V CA -0.997 61.140 62.300 -0.272 0.000 0.871 21 V CB 1.751 33.298 31.823 -0.460 0.000 0.988 21 V HN 0.663 nan 8.190 nan 0.000 0.432 22 G N 2.998 111.618 108.800 -0.300 0.000 2.379 22 G HA2 0.716 4.691 3.960 0.025 0.000 0.327 22 G HA3 0.716 4.691 3.960 0.025 0.000 0.327 22 G C -1.273 173.404 174.900 -0.372 0.000 1.145 22 G CA -0.302 44.735 45.100 -0.105 0.000 0.905 22 G HN 0.382 nan 8.290 nan 0.000 0.466 23 F N 0.976 120.981 119.950 0.092 0.000 2.492 23 F HA 0.560 5.102 4.527 0.025 0.000 0.327 23 F C 1.008 176.844 175.800 0.061 0.000 1.079 23 F CA -0.906 57.128 58.000 0.057 0.000 0.967 23 F CB 2.138 41.162 39.000 0.039 0.000 1.169 23 F HN 0.548 nan 8.300 nan 0.000 0.472 24 S N 0.893 116.721 115.700 0.213 0.000 2.634 24 S HA 0.812 5.297 4.470 0.025 0.000 0.261 24 S C 0.253 174.943 174.600 0.149 0.000 1.271 24 S CA -0.021 58.262 58.200 0.139 0.000 0.985 24 S CB 1.061 64.306 63.200 0.074 0.000 0.968 24 S HN 1.782 nan 8.310 nan 0.000 0.568 25 G N -0.546 108.332 108.800 0.131 0.000 2.756 25 G HA2 0.107 4.082 3.960 0.025 0.000 0.678 25 G HA3 0.107 4.082 3.960 0.025 0.000 0.678 25 G C -1.097 173.951 174.900 0.247 0.000 1.349 25 G CA -0.284 44.905 45.100 0.149 0.000 0.847 25 G HN 1.509 nan 8.290 nan 0.000 0.548 26 F N 2.105 122.077 119.950 0.036 0.000 2.730 26 F HA 0.620 5.162 4.527 0.024 0.000 0.335 26 F C 0.586 176.398 175.800 0.020 0.000 1.212 26 F CA 1.466 59.484 58.000 0.031 0.000 1.016 26 F CB 1.511 40.524 39.000 0.022 0.000 1.290 26 F HN 2.317 nan 8.300 nan 0.000 0.495 27 T N 3.207 117.587 114.554 -0.289 0.000 0.541 27 T HA -0.149 4.216 4.350 0.025 0.000 0.774 27 T C -2.419 172.246 174.700 -0.058 0.000 0.992 27 T CA -0.248 61.740 62.100 -0.186 0.000 4.077 27 T CB -1.581 67.214 68.868 -0.121 0.000 2.303 27 T HN 0.324 nan 8.240 nan 0.000 0.398 28 P HA 0.014 nan 4.420 nan 0.000 0.218 28 P C 1.013 178.320 177.300 0.012 0.000 1.152 28 P CA 2.178 65.268 63.100 -0.016 0.000 0.857 28 P CB -0.533 31.160 31.700 -0.012 0.000 0.787 29 A N -0.511 122.326 122.820 0.028 0.000 2.548 29 A HA 0.377 4.712 4.320 0.025 0.000 0.247 29 A C 1.602 179.216 177.584 0.051 0.000 1.067 29 A CA 0.701 52.767 52.037 0.048 0.000 0.757 29 A CB -1.323 17.717 19.000 0.066 0.000 0.996 29 A HN 0.433 nan 8.150 nan 0.000 0.504 30 G N 2.242 111.047 108.800 0.009 0.000 2.159 30 G HA2 -0.228 3.747 3.960 0.025 0.000 0.256 30 G HA3 -0.228 3.747 3.960 0.025 0.000 0.256 30 G C 0.149 175.066 174.900 0.028 0.000 0.977 30 G CA 0.272 45.372 45.100 0.001 0.000 0.652 30 G HN 0.830 nan 8.290 nan 0.000 0.531 31 N N 1.335 120.055 118.700 0.033 0.000 2.492 31 N HA 0.448 5.203 4.740 0.025 0.000 0.289 31 N C -2.529 173.010 175.510 0.050 0.000 1.133 31 N CA -1.220 51.861 53.050 0.051 0.000 0.961 31 N CB 2.017 40.517 38.487 0.021 0.000 1.186 31 N HN 0.097 nan 8.380 nan 0.000 0.493 32 P HA 0.147 nan 4.420 nan 0.000 0.271 32 P C -0.455 176.876 177.300 0.052 0.000 1.216 32 P CA 0.075 63.224 63.100 0.082 0.000 0.776 32 P CB 1.234 33.019 31.700 0.142 0.000 0.881 33 K N 1.439 121.866 120.400 0.046 0.000 2.450 33 K HA 0.142 4.477 4.320 0.025 0.000 0.206 33 K C 1.252 177.868 176.600 0.027 0.000 1.148 33 K CA -0.015 56.290 56.287 0.029 0.000 1.014 33 K CB 0.660 33.181 32.500 0.035 0.000 0.966 33 K HN 0.146 nan 8.250 nan 0.000 0.566 34 V N 0.048 119.985 119.914 0.038 0.000 3.359 34 V HA 0.002 4.137 4.120 0.025 0.000 0.245 34 V C 1.518 177.634 176.094 0.037 0.000 1.247 34 V CA 0.355 62.675 62.300 0.033 0.000 1.145 34 V CB 0.891 32.736 31.823 0.036 0.000 0.906 34 V HN -0.028 nan 8.190 nan 0.000 0.464 35 V N 2.455 122.401 119.914 0.052 0.000 2.323 35 V HA -0.034 4.101 4.120 0.025 0.000 0.244 35 V C 0.001 176.137 176.094 0.070 0.000 1.041 35 V CA 2.445 64.782 62.300 0.061 0.000 1.025 35 V CB -1.705 30.161 31.823 0.071 0.000 0.656 35 V HN 0.512 nan 8.190 nan 0.000 0.451 36 P HA -0.206 nan 4.420 nan 0.000 0.217 36 P C 1.526 178.843 177.300 0.028 0.000 1.148 36 P CA 2.250 65.403 63.100 0.089 0.000 0.828 36 P CB -0.048 31.682 31.700 0.049 0.000 0.783 37 A N 0.377 123.202 122.820 0.009 0.000 1.969 37 A HA 0.046 4.381 4.320 0.025 0.000 0.218 37 A C 2.462 180.035 177.584 -0.019 0.000 1.169 37 A CA 1.757 53.788 52.037 -0.012 0.000 0.635 37 A CB -1.355 17.639 19.000 -0.010 0.000 0.810 37 A HN 0.234 nan 8.150 nan 0.000 0.445 38 A N -0.117 122.700 122.820 -0.006 0.000 2.014 38 A HA 0.029 4.364 4.320 0.025 0.000 0.218 38 A C 1.923 179.480 177.584 -0.045 0.000 1.163 38 A CA 1.333 53.360 52.037 -0.017 0.000 0.652 38 A CB -0.379 18.625 19.000 0.008 0.000 0.808 38 A HN 0.408 nan 8.150 nan 0.000 0.449 39 I N -0.057 120.497 120.570 -0.026 0.000 2.286 39 I HA -0.179 4.006 4.170 0.025 0.000 0.245 39 I C 2.917 178.932 176.117 -0.169 0.000 1.104 39 I CA 1.323 62.589 61.300 -0.056 0.000 1.397 39 I CB -1.689 36.344 38.000 0.054 0.000 1.072 39 I HN 0.343 nan 8.210 nan 0.000 0.417 40 A N 1.551 124.311 122.820 -0.100 0.000 1.883 40 A HA -0.212 4.123 4.320 0.025 0.000 0.217 40 A C 2.332 179.817 177.584 -0.165 0.000 1.186 40 A CA 1.579 53.548 52.037 -0.115 0.000 0.624 40 A CB -0.442 18.524 19.000 -0.056 0.000 0.822 40 A HN 0.284 nan 8.150 nan 0.000 0.444 41 K N -0.454 119.867 120.400 -0.131 0.000 2.020 41 K HA -0.214 4.121 4.320 0.025 0.000 0.212 41 K C 2.202 178.680 176.600 -0.204 0.000 1.050 41 K CA 1.720 57.932 56.287 -0.126 0.000 0.929 41 K CB -0.561 31.887 32.500 -0.087 0.000 0.714 41 K HN 0.580 nan 8.250 nan 0.000 0.443 42 R N 0.847 121.194 120.500 -0.255 0.000 2.103 42 R HA -0.159 4.196 4.340 0.025 0.000 0.242 42 R C 2.277 178.174 176.300 -0.672 0.000 1.142 42 R CA 1.593 57.477 56.100 -0.360 0.000 0.960 42 R CB -0.232 29.879 30.300 -0.316 0.000 0.858 42 R HN 0.254 nan 8.270 nan 0.000 0.439 43 A N 0.922 123.206 122.820 -0.893 0.000 1.873 43 A HA -0.113 4.222 4.320 0.025 0.000 0.215 43 A C 2.168 179.255 177.584 -0.829 0.000 1.186 43 A CA 1.363 52.682 52.037 -1.197 0.000 0.616 43 A CB -0.443 18.123 19.000 -0.723 0.000 0.823 43 A HN 0.359 nan 8.150 nan 0.000 0.442 44 I N -0.173 120.162 120.570 -0.393 0.000 2.226 44 I HA -0.269 3.916 4.170 0.025 0.000 0.245 44 I C 2.910 178.938 176.117 -0.148 0.000 1.100 44 I CA 1.043 62.262 61.300 -0.135 0.000 1.374 44 I CB -0.343 37.635 38.000 -0.038 0.000 1.057 44 I HN 0.356 nan 8.210 nan 0.000 0.413 45 A N 0.633 123.341 122.820 -0.186 0.000 2.019 45 A HA -0.111 4.224 4.320 0.025 0.000 0.219 45 A C 2.461 179.978 177.584 -0.112 0.000 1.164 45 A CA 1.787 53.752 52.037 -0.120 0.000 0.644 45 A CB -0.561 18.369 19.000 -0.116 0.000 0.805 45 A HN 0.458 nan 8.150 nan 0.000 0.449 46 A N -1.236 121.461 122.820 -0.204 0.000 1.935 46 A HA -0.002 4.333 4.320 0.025 0.000 0.214 46 A C 1.999 179.558 177.584 -0.043 0.000 1.178 46 A CA 1.179 53.147 52.037 -0.114 0.000 0.640 46 A CB -0.712 18.241 19.000 -0.078 0.000 0.825 46 A HN 0.579 nan 8.150 nan 0.000 0.447 47 H N 0.901 119.970 119.070 -0.001 0.000 2.267 47 H HA -0.145 4.425 4.556 0.025 0.000 0.297 47 H C 2.004 177.328 175.328 -0.006 0.000 1.080 47 H CA 1.754 57.803 56.048 0.002 0.000 1.278 47 H CB -0.704 29.055 29.762 -0.004 0.000 1.365 47 H HN 0.831 nan 8.280 nan 0.000 0.489 48 E N 1.232 121.505 120.200 0.121 0.000 2.510 48 E HA -0.144 4.221 4.350 0.025 0.000 0.202 48 E C 1.694 178.315 176.600 0.035 0.000 1.072 48 E CA 0.865 57.300 56.400 0.058 0.000 0.883 48 E CB -0.050 29.671 29.700 0.034 0.000 0.818 48 E HN 0.328 nan 8.360 nan 0.000 0.548 49 K N 0.110 120.530 120.400 0.033 0.000 2.374 49 K HA 0.085 4.420 4.320 0.025 0.000 0.196 49 K C 0.993 177.609 176.600 0.027 0.000 1.023 49 K CA 0.638 56.937 56.287 0.021 0.000 1.103 49 K CB 0.218 32.724 32.500 0.010 0.000 0.848 49 K HN 0.252 nan 8.250 nan 0.000 0.528 50 G N 0.741 109.566 108.800 0.042 0.000 2.176 50 G HA2 -0.272 3.703 3.960 0.025 0.000 0.253 50 G HA3 -0.272 3.703 3.960 0.025 0.000 0.253 50 G C -0.589 174.334 174.900 0.039 0.000 0.979 50 G CA 0.121 45.244 45.100 0.038 0.000 0.641 50 G HN 0.476 nan 8.290 nan 0.000 0.530 51 N N 2.252 120.979 118.700 0.045 0.000 2.473 51 N HA 0.524 5.279 4.740 0.025 0.000 0.291 51 N C -2.512 173.024 175.510 0.043 0.000 1.083 51 N CA -1.459 51.607 53.050 0.027 0.000 0.951 51 N CB 1.974 40.477 38.487 0.028 0.000 1.164 51 N HN 0.137 nan 8.380 nan 0.000 0.480 52 P HA 0.156 nan 4.420 nan 0.000 0.275 52 P C -1.275 175.849 177.300 -0.294 0.000 1.228 52 P CA 0.090 63.081 63.100 -0.182 0.000 0.786 52 P CB 0.628 32.076 31.700 -0.421 0.000 0.927 53 F N 2.317 122.200 119.950 -0.111 0.000 3.240 53 F HA 0.375 4.917 4.527 0.025 0.000 0.370 53 F C -1.081 174.907 175.800 0.312 0.000 1.271 53 F CA -0.404 57.634 58.000 0.063 0.000 1.224 53 F CB 1.239 40.132 39.000 -0.178 0.000 1.624 53 F HN 0.186 nan 8.300 nan 0.000 0.658 54 K N 7.015 127.750 120.400 0.559 0.000 2.525 54 K HA 0.691 5.025 4.320 0.025 0.000 0.254 54 K C -1.173 175.481 176.600 0.091 0.000 0.934 54 K CA -0.909 55.586 56.287 0.346 0.000 0.802 54 K CB 3.224 35.889 32.500 0.275 0.000 1.295 54 K HN 0.569 nan 8.250 nan 0.000 0.433 55 I N -1.731 118.866 120.570 0.044 0.000 2.797 55 I HA 0.688 4.873 4.170 0.025 0.000 0.307 55 I C 0.313 176.256 176.117 -0.290 0.000 1.033 55 I CA -0.819 60.422 61.300 -0.100 0.000 1.071 55 I CB 1.869 39.867 38.000 -0.004 0.000 1.255 55 I HN 0.575 nan 8.210 nan 0.000 0.445 59 T N -1.348 113.415 114.554 0.348 0.000 2.831 59 T HA 0.693 5.058 4.350 0.025 0.000 0.287 59 T C 0.724 175.566 174.700 0.237 0.000 1.070 59 T CA -0.155 62.120 62.100 0.292 0.000 1.010 59 T CB 1.675 70.650 68.868 0.179 0.000 1.264 59 T HN 0.607 nan 8.240 nan 0.000 0.532 60 G N 0.146 109.086 108.800 0.232 0.000 2.456 60 G HA2 0.457 4.432 3.960 0.025 0.000 0.213 60 G HA3 0.457 4.432 3.960 0.025 0.000 0.213 60 G C 0.642 175.684 174.900 0.238 0.000 1.215 60 G CA 0.759 46.053 45.100 0.323 0.000 0.805 60 G HN 1.258 nan 8.290 nan 0.000 0.537 61 A N -0.663 122.141 122.820 -0.026 0.000 3.972 61 A HA 0.674 5.009 4.320 0.025 0.000 0.166 61 A C 0.549 178.120 177.584 -0.021 0.000 0.722 61 A CA 0.710 52.632 52.037 -0.191 0.000 1.045 61 A CB -0.234 18.128 19.000 -1.063 0.000 1.949 61 A HN 0.977 nan 8.150 nan 0.000 0.853 62 S N 0.062 115.750 115.700 -0.021 0.000 2.593 62 S HA 0.522 5.007 4.470 0.025 0.000 0.269 62 S C 0.227 174.783 174.600 -0.074 0.000 1.334 62 S CA 0.588 58.797 58.200 0.016 0.000 1.015 62 S CB 0.566 63.806 63.200 0.067 0.000 0.912 62 S HN 1.792 nan 8.310 nan 0.000 0.541 63 T N -1.787 112.716 114.554 -0.085 0.000 2.887 63 T HA 0.752 5.117 4.350 0.025 0.000 0.292 63 T C 0.551 175.196 174.700 -0.092 0.000 1.087 63 T CA -0.459 61.580 62.100 -0.102 0.000 1.009 63 T CB 0.912 69.675 68.868 -0.175 0.000 1.203 63 T HN 0.956 nan 8.240 nan 0.000 0.518 64 G N -0.441 108.311 108.800 -0.079 0.000 2.583 64 G HA2 0.457 4.432 3.960 0.025 0.000 0.275 64 G HA3 0.457 4.432 3.960 0.025 0.000 0.275 64 G C 1.121 175.974 174.900 -0.079 0.000 1.342 64 G CA -0.300 44.762 45.100 -0.063 0.000 1.030 64 G HN 1.231 nan 8.290 nan 0.000 0.520 65 A N -1.029 121.754 122.820 -0.062 0.000 2.169 65 A HA 0.116 4.451 4.320 0.025 0.000 0.212 65 A C 2.071 179.616 177.584 -0.065 0.000 1.153 65 A CA 0.502 52.500 52.037 -0.065 0.000 0.756 65 A CB -0.055 18.915 19.000 -0.049 0.000 0.813 65 A HN 0.537 nan 8.150 nan 0.000 0.471 66 R N -0.791 119.673 120.500 -0.059 0.000 2.391 66 R HA 0.327 4.682 4.340 0.025 0.000 0.249 66 R C 0.708 176.962 176.300 -0.076 0.000 0.957 66 R CA -0.119 55.950 56.100 -0.052 0.000 1.093 66 R CB 0.170 30.453 30.300 -0.029 0.000 1.156 66 R HN 0.377 nan 8.270 nan 0.000 0.526 67 L N -0.579 120.572 121.223 -0.120 0.000 3.794 67 L HA 0.212 4.567 4.340 0.025 0.000 0.185 67 L C 0.770 177.510 176.870 -0.217 0.000 1.179 67 L CA 1.041 55.758 54.840 -0.205 0.000 0.903 67 L CB -0.452 41.444 42.059 -0.272 0.000 1.582 67 L HN -0.076 nan 8.230 nan 0.000 0.677 68 D N 0.290 120.558 120.400 -0.220 0.000 2.117 68 D HA -0.095 4.560 4.640 0.025 0.000 0.197 68 D C 1.796 178.014 176.300 -0.136 0.000 0.987 68 D CA 1.530 55.416 54.000 -0.190 0.000 0.829 68 D CB -0.027 40.661 40.800 -0.187 0.000 0.961 68 D HN 0.569 nan 8.370 nan 0.000 0.460 69 G N 1.041 109.771 108.800 -0.117 0.000 2.511 69 G HA2 -0.263 3.712 3.960 0.025 0.000 0.216 69 G HA3 -0.263 3.712 3.960 0.025 0.000 0.216 69 G C 1.788 176.644 174.900 -0.073 0.000 1.218 69 G CA 1.015 46.061 45.100 -0.090 0.000 0.788 69 G HN 0.291 nan 8.290 nan 0.000 0.560 70 V N 0.200 120.074 119.914 -0.068 0.000 2.343 70 V HA -0.095 4.039 4.120 0.025 0.000 0.247 70 V C 2.840 178.907 176.094 -0.044 0.000 1.051 70 V CA 1.678 63.947 62.300 -0.051 0.000 1.036 70 V CB -0.270 31.525 31.823 -0.046 0.000 0.654 70 V HN 0.235 nan 8.190 nan 0.000 0.451 71 L N 0.268 121.458 121.223 -0.056 0.000 2.093 71 L HA 0.008 4.363 4.340 0.025 0.000 0.208 71 L C 2.658 179.516 176.870 -0.021 0.000 1.085 71 L CA 2.314 57.135 54.840 -0.032 0.000 0.755 71 L CB -1.650 40.376 42.059 -0.055 0.000 0.904 71 L HN 0.402 nan 8.230 nan 0.000 0.435 72 A N -1.299 121.491 122.820 -0.050 0.000 1.898 72 A HA -0.211 4.124 4.320 0.025 0.000 0.216 72 A C 2.148 179.712 177.584 -0.033 0.000 1.181 72 A CA 1.217 53.225 52.037 -0.048 0.000 0.620 72 A CB -0.399 18.555 19.000 -0.078 0.000 0.819 72 A HN 0.521 nan 8.150 nan 0.000 0.442 73 Q N -0.627 119.152 119.800 -0.035 0.000 2.226 73 Q HA -0.067 4.288 4.340 0.025 0.000 0.204 73 Q C 2.105 178.100 176.000 -0.008 0.000 0.975 73 Q CA 1.193 56.980 55.803 -0.027 0.000 0.866 73 Q CB -0.333 28.387 28.738 -0.030 0.000 0.915 73 Q HN 0.674 nan 8.270 nan 0.000 0.440 74 A N 1.044 123.869 122.820 0.009 0.000 2.206 74 A HA -0.078 4.257 4.320 0.025 0.000 0.211 74 A C 0.436 178.082 177.584 0.104 0.000 1.158 74 A CA 0.680 52.751 52.037 0.055 0.000 0.761 74 A CB 0.002 19.026 19.000 0.040 0.000 0.801 74 A HN 0.404 nan 8.150 nan 0.000 0.473 75 D N -2.404 118.021 120.400 0.041 0.000 2.689 75 D HA -0.182 4.473 4.640 0.025 0.000 0.237 75 D C 0.344 176.712 176.300 0.113 0.000 1.148 75 D CA 0.981 54.988 54.000 0.012 0.000 0.656 75 D CB -1.316 39.427 40.800 -0.096 0.000 1.050 75 D HN 0.563 nan 8.370 nan 0.000 0.426 76 A N -0.072 122.850 122.820 0.170 0.000 2.631 76 A HA 0.488 4.823 4.320 0.025 0.000 0.294 76 A C 0.180 177.863 177.584 0.164 0.000 1.156 76 A CA -0.185 52.013 52.037 0.268 0.000 0.963 76 A CB 0.819 19.996 19.000 0.296 0.000 1.202 76 A HN 0.194 nan 8.150 nan 0.000 0.523 77 V N 1.829 121.796 119.914 0.087 0.000 2.304 77 V HA 0.110 4.245 4.120 0.025 0.000 0.269 77 V C 1.278 177.397 176.094 0.042 0.000 1.036 77 V CA -0.066 62.249 62.300 0.025 0.000 0.840 77 V CB 0.687 32.507 31.823 -0.005 0.000 1.036 77 V HN 0.749 nan 8.190 nan 0.000 0.466 78 K N 4.800 125.207 120.400 0.011 0.000 2.116 78 K HA 0.077 4.412 4.320 0.025 0.000 0.203 78 K C 0.312 177.029 176.600 0.195 0.000 1.052 78 K CA 0.955 57.294 56.287 0.087 0.000 0.952 78 K CB 0.290 32.836 32.500 0.075 0.000 0.729 78 K HN 0.545 nan 8.250 nan 0.000 0.446 79 F N -0.881 119.099 119.950 0.050 0.000 2.688 79 F HA 0.622 5.163 4.527 0.025 0.000 0.308 79 F C -1.657 174.128 175.800 -0.026 0.000 1.117 79 F CA -1.620 56.427 58.000 0.078 0.000 0.976 79 F CB 1.240 40.340 39.000 0.166 0.000 1.291 79 F HN -0.129 nan 8.300 nan 0.000 0.439 80 R N 1.366 122.030 120.500 0.273 0.000 2.686 80 R HA 0.899 5.254 4.340 0.025 0.000 0.283 80 R C -1.788 174.395 176.300 -0.195 0.000 0.978 80 R CA -0.146 55.986 56.100 0.053 0.000 0.897 80 R CB 2.252 32.617 30.300 0.107 0.000 1.192 80 R HN 1.025 nan 8.270 nan 0.000 0.457 81 T N 3.564 117.989 114.554 -0.215 0.000 2.885 81 T HA 0.415 4.780 4.350 0.025 0.000 0.322 81 T C -2.590 172.093 174.700 -0.028 0.000 1.387 81 T CA -1.023 60.851 62.100 -0.377 0.000 1.041 81 T CB 2.221 70.697 68.868 -0.653 0.000 1.287 81 T HN 0.527 nan 8.240 nan 0.000 0.491 82 P HA 0.255 nan 4.420 nan 0.000 0.286 82 P C -0.713 176.660 177.300 0.121 0.000 1.269 82 P CA 0.169 63.240 63.100 -0.049 0.000 0.908 82 P CB 0.764 32.489 31.700 0.043 0.000 1.395 83 Y N 1.369 121.723 120.300 0.091 0.000 2.513 83 Y HA 0.505 5.070 4.550 0.025 0.000 0.340 83 Y C -1.235 174.714 175.900 0.081 0.000 1.055 83 Y CA -0.615 57.571 58.100 0.142 0.000 1.020 83 Y CB 1.786 40.279 38.460 0.055 0.000 1.301 83 Y HN -0.218 nan 8.280 nan 0.000 0.453 84 Q N 1.820 121.407 119.800 -0.356 0.000 2.544 84 Q HA 0.701 5.056 4.340 0.025 0.000 0.291 84 Q C -1.321 174.376 176.000 -0.505 0.000 1.068 84 Q CA -0.859 54.742 55.803 -0.337 0.000 0.785 84 Q CB 1.992 30.494 28.738 -0.393 0.000 1.481 84 Q HN 0.450 nan 8.270 nan 0.000 0.430 85 S N 0.651 116.181 115.700 -0.284 0.000 2.665 85 S HA 0.260 4.745 4.470 0.025 0.000 0.226 85 S C -1.511 172.997 174.600 -0.154 0.000 0.773 85 S CA -0.497 57.574 58.200 -0.216 0.000 1.041 85 S CB -0.526 62.629 63.200 -0.075 0.000 1.570 85 S HN 0.675 nan 8.310 nan 0.000 0.470 86 N N 1.886 120.477 118.700 -0.182 0.000 2.314 86 N HA 0.280 5.035 4.740 0.025 0.000 0.294 86 N C 1.080 176.501 175.510 -0.149 0.000 1.029 86 N CA -0.498 52.466 53.050 -0.144 0.000 0.845 86 N CB 1.611 40.014 38.487 -0.140 0.000 1.321 86 N HN 0.419 nan 8.380 nan 0.000 0.481 87 K N 2.751 123.083 120.400 -0.114 0.000 2.103 87 K HA -0.158 4.177 4.320 0.025 0.000 0.207 87 K C 0.267 176.803 176.600 -0.106 0.000 1.048 87 K CA 1.265 57.489 56.287 -0.105 0.000 0.930 87 K CB 0.014 32.467 32.500 -0.077 0.000 0.716 87 K HN 0.462 nan 8.250 nan 0.000 0.444 88 D N 1.265 121.606 120.400 -0.099 0.000 2.097 88 D HA -0.118 4.537 4.640 0.025 0.000 0.197 88 D C 2.056 178.291 176.300 -0.109 0.000 0.984 88 D CA 0.910 54.856 54.000 -0.090 0.000 0.826 88 D CB -0.140 40.614 40.800 -0.077 0.000 0.973 88 D HN 0.155 nan 8.370 nan 0.000 0.460 89 L N 1.419 122.560 121.223 -0.137 0.000 2.056 89 L HA -0.080 4.275 4.340 0.025 0.000 0.207 89 L C 2.346 179.091 176.870 -0.209 0.000 1.078 89 L CA 1.496 56.235 54.840 -0.168 0.000 0.749 89 L CB -0.494 41.443 42.059 -0.204 0.000 0.901 89 L HN -0.163 nan 8.230 nan 0.000 0.433 90 R N -0.397 119.968 120.500 -0.225 0.000 2.091 90 R HA -0.184 4.171 4.340 0.025 0.000 0.238 90 R C 2.059 178.253 176.300 -0.177 0.000 1.136 90 R CA 2.181 58.134 56.100 -0.244 0.000 0.959 90 R CB -0.346 29.821 30.300 -0.223 0.000 0.856 90 R HN 0.600 nan 8.270 nan 0.000 0.437 91 N N -0.021 118.600 118.700 -0.133 0.000 2.142 91 N HA -0.157 4.598 4.740 0.025 0.000 0.186 91 N C 1.699 177.158 175.510 -0.085 0.000 1.023 91 N CA 0.859 53.851 53.050 -0.098 0.000 0.852 91 N CB -0.107 38.333 38.487 -0.078 0.000 0.998 91 N HN 0.091 nan 8.380 nan 0.000 0.424 92 L N 1.544 122.714 121.223 -0.088 0.000 2.079 92 L HA -0.118 4.237 4.340 0.025 0.000 0.210 92 L C 1.764 178.599 176.870 -0.058 0.000 1.081 92 L CA 1.445 56.246 54.840 -0.067 0.000 0.752 92 L CB -0.302 41.717 42.059 -0.068 0.000 0.896 92 L HN 0.197 nan 8.230 nan 0.000 0.433 93 I N -0.573 119.942 120.570 -0.092 0.000 2.133 93 I HA -0.301 3.884 4.170 0.025 0.000 0.238 93 I C 1.949 178.038 176.117 -0.047 0.000 1.074 93 I CA 1.812 63.069 61.300 -0.072 0.000 1.342 93 I CB -0.481 37.418 38.000 -0.170 0.000 1.053 93 I HN 0.316 nan 8.210 nan 0.000 0.404 94 N N 0.721 119.373 118.700 -0.079 0.000 2.443 94 N HA -0.144 4.611 4.740 0.025 0.000 0.184 94 N C 0.958 176.446 175.510 -0.037 0.000 1.037 94 N CA 0.786 53.798 53.050 -0.062 0.000 0.896 94 N CB -0.227 38.208 38.487 -0.087 0.000 0.959 94 N HN 0.403 nan 8.380 nan 0.000 0.442 95 N N -0.345 118.335 118.700 -0.034 0.000 2.322 95 N HA 0.090 4.845 4.740 0.025 0.000 0.194 95 N C 0.476 175.982 175.510 -0.008 0.000 1.126 95 N CA 0.001 53.037 53.050 -0.022 0.000 0.845 95 N CB 0.652 39.123 38.487 -0.028 0.000 0.976 95 N HN 0.122 nan 8.380 nan 0.000 0.475 96 G N 0.730 109.530 108.800 0.001 0.000 2.249 96 G HA2 -0.297 3.678 3.960 0.025 0.000 0.273 96 G HA3 -0.297 3.678 3.960 0.025 0.000 0.273 96 G C 0.673 175.586 174.900 0.022 0.000 1.036 96 G CA 0.650 45.763 45.100 0.020 0.000 0.824 96 G HN 0.360 nan 8.290 nan 0.000 0.504 97 S N -1.275 114.432 115.700 0.012 0.000 2.575 97 S HA 0.407 4.892 4.470 0.025 0.000 0.215 97 S C 0.830 175.448 174.600 0.030 0.000 0.966 97 S CA 0.986 59.193 58.200 0.011 0.000 0.911 97 S CB 0.799 63.994 63.200 -0.009 0.000 0.780 97 S HN 1.041 nan 8.310 nan 0.000 0.514 98 T N 0.375 114.960 114.554 0.051 0.000 2.769 98 T HA 0.381 4.746 4.350 0.025 0.000 0.306 98 T C -1.679 173.104 174.700 0.138 0.000 1.400 98 T CA -0.499 61.654 62.100 0.088 0.000 1.007 98 T CB 1.563 70.473 68.868 0.069 0.000 1.392 98 T HN -0.085 nan 8.240 nan 0.000 0.500 99 S N 2.050 117.872 115.700 0.203 0.000 2.438 99 S HA 0.601 5.086 4.470 0.025 0.000 0.293 99 S C -1.551 173.284 174.600 0.392 0.000 1.141 99 S CA -0.445 57.923 58.200 0.279 0.000 1.080 99 S CB 0.319 63.693 63.200 0.290 0.000 0.978 99 S HN 0.538 nan 8.310 nan 0.000 0.479 100 Y N 4.224 124.655 120.300 0.217 0.000 2.442 100 Y HA 0.670 5.235 4.550 0.025 0.000 0.344 100 Y C -1.719 174.338 175.900 0.260 0.000 0.976 100 Y CA -1.841 56.338 58.100 0.132 0.000 1.040 100 Y CB 0.970 39.434 38.460 0.006 0.000 1.228 100 Y HN 0.616 nan 8.280 nan 0.000 0.451 101 F N 4.036 123.606 119.950 -0.634 0.000 2.617 101 F HA 0.443 4.985 4.527 0.025 0.000 0.325 101 F C -1.385 174.004 175.800 -0.686 0.000 1.179 101 F CA -1.668 56.015 58.000 -0.528 0.000 0.965 101 F CB 0.693 39.571 39.000 -0.204 0.000 1.232 101 F HN 0.388 nan 8.300 nan 0.000 0.461 102 D N 4.246 124.290 120.400 -0.594 0.000 2.304 102 D HA 0.526 5.181 4.640 0.025 0.000 0.250 102 D C -0.423 175.824 176.300 -0.087 0.000 1.107 102 D CA -0.123 53.678 54.000 -0.332 0.000 0.885 102 D CB 2.132 42.880 40.800 -0.087 0.000 1.192 102 D HN 0.654 nan 8.370 nan 0.000 0.436 103 L N 0.579 121.786 121.223 -0.026 0.000 2.279 103 L HA 0.300 4.655 4.340 0.025 0.000 0.262 103 L C 0.334 177.225 176.870 0.036 0.000 1.019 103 L CA -1.334 53.510 54.840 0.008 0.000 0.823 103 L CB 1.579 43.703 42.059 0.109 0.000 1.358 103 L HN 0.322 nan 8.230 nan 0.000 0.432 104 H N 2.401 121.562 119.070 0.152 0.000 2.975 104 H HA 0.106 4.676 4.556 0.025 0.000 0.303 104 H C 0.951 176.355 175.328 0.127 0.000 1.023 104 H CA 0.129 56.261 56.048 0.140 0.000 1.473 104 H CB 1.102 30.931 29.762 0.111 0.000 1.498 104 H HN 0.507 nan 8.280 nan 0.000 0.549 105 L N 2.523 123.893 121.223 0.246 0.000 2.043 105 L HA -0.254 4.101 4.340 0.025 0.000 0.212 105 L C 2.426 179.374 176.870 0.129 0.000 1.075 105 L CA 1.850 56.810 54.840 0.199 0.000 0.752 105 L CB -0.553 41.653 42.059 0.245 0.000 0.891 105 L HN 0.557 nan 8.230 nan 0.000 0.432 106 S N -1.321 114.424 115.700 0.075 0.000 2.500 106 S HA -0.136 4.349 4.470 0.025 0.000 0.239 106 S C 1.802 176.400 174.600 -0.003 0.000 0.989 106 S CA 1.256 59.450 58.200 -0.010 0.000 0.951 106 S CB -0.645 62.503 63.200 -0.086 0.000 0.759 106 S HN 0.623 nan 8.310 nan 0.000 0.523 107 T N -1.289 113.310 114.554 0.074 0.000 3.037 107 T HA 0.250 4.615 4.350 0.025 0.000 0.251 107 T C 1.516 176.264 174.700 0.079 0.000 1.079 107 T CA 0.297 62.443 62.100 0.076 0.000 1.067 107 T CB -0.364 68.606 68.868 0.170 0.000 0.948 107 T HN 0.237 nan 8.240 nan 0.000 0.496 108 L N 2.142 123.429 121.223 0.107 0.000 2.042 108 L HA 0.196 4.551 4.340 0.025 0.000 0.210 108 L C 2.759 179.641 176.870 0.021 0.000 1.076 108 L CA 1.884 56.795 54.840 0.118 0.000 0.749 108 L CB -1.256 40.861 42.059 0.096 0.000 0.893 108 L HN 0.356 nan 8.230 nan 0.000 0.432 109 A N -0.259 122.537 122.820 -0.040 0.000 1.851 109 A HA -0.309 4.026 4.320 0.025 0.000 0.216 109 A C 2.170 179.621 177.584 -0.222 0.000 1.195 109 A CA 2.094 54.070 52.037 -0.102 0.000 0.622 109 A CB -0.892 18.061 19.000 -0.078 0.000 0.831 109 A HN 0.745 nan 8.150 nan 0.000 0.444 110 Q N -0.938 118.665 119.800 -0.329 0.000 2.124 110 Q HA -0.199 4.156 4.340 0.025 0.000 0.202 110 Q C 1.070 176.409 176.000 -1.103 0.000 0.977 110 Q CA 1.692 57.080 55.803 -0.691 0.000 0.850 110 Q CB -0.555 27.757 28.738 -0.711 0.000 0.901 110 Q HN 0.478 nan 8.270 nan 0.000 0.429 111 D N 0.751 120.760 120.400 -0.652 0.000 2.264 111 D HA -0.035 4.620 4.640 0.025 0.000 0.208 111 D C 1.774 177.855 176.300 -0.365 0.000 0.966 111 D CA 0.678 54.354 54.000 -0.540 0.000 0.864 111 D CB 0.034 40.901 40.800 0.110 0.000 0.933 111 D HN 0.250 nan 8.370 nan 0.000 0.499 112 L N 0.049 121.156 121.223 -0.194 0.000 2.095 112 L HA -0.028 4.327 4.340 0.025 0.000 0.204 112 L C 2.424 179.182 176.870 -0.187 0.000 1.080 112 L CA 0.852 55.621 54.840 -0.119 0.000 0.759 112 L CB -0.015 41.942 42.059 -0.171 0.000 0.914 112 L HN -0.067 nan 8.230 nan 0.000 0.439 113 R N -1.086 119.257 120.500 -0.262 0.000 2.092 113 R HA -0.159 4.196 4.340 0.025 0.000 0.231 113 R C 2.084 178.333 176.300 -0.085 0.000 1.119 113 R CA 1.096 57.093 56.100 -0.171 0.000 0.970 113 R CB -0.326 29.867 30.300 -0.178 0.000 0.864 113 R HN 0.291 nan 8.270 nan 0.000 0.440 114 Y N 0.012 120.075 120.300 -0.394 0.000 2.574 114 Y HA 0.044 4.609 4.550 0.025 0.000 0.294 114 Y C 1.859 177.523 175.900 -0.393 0.000 1.142 114 Y CA 0.766 58.531 58.100 -0.560 0.000 1.314 114 Y CB -0.583 37.101 38.460 -1.293 0.000 0.991 114 Y HN 0.362 nan 8.280 nan 0.000 0.555 115 G N -1.570 107.158 108.800 -0.121 0.000 2.141 115 G HA2 -0.294 3.681 3.960 0.025 0.000 0.242 115 G HA3 -0.294 3.681 3.960 0.025 0.000 0.242 115 G C 0.811 175.781 174.900 0.117 0.000 0.982 115 G CA 0.275 45.383 45.100 0.012 0.000 0.662 115 G HN 0.233 nan 8.290 nan 0.000 0.527 116 F N 0.010 119.856 119.950 -0.173 0.000 2.171 116 F HA 0.182 4.723 4.527 0.025 0.000 0.300 116 F C 1.461 176.947 175.800 -0.523 0.000 1.090 116 F CA 0.219 57.970 58.000 -0.416 0.000 1.293 116 F CB -0.652 37.958 39.000 -0.650 0.000 1.013 116 F HN 0.361 nan 8.300 nan 0.000 0.486 117 Y N -0.746 119.703 120.300 0.248 0.000 2.377 117 Y HA 0.545 5.110 4.550 0.025 0.000 0.339 117 Y C 1.219 177.242 175.900 0.204 0.000 1.011 117 Y CA -1.019 57.221 58.100 0.232 0.000 1.093 117 Y CB 0.492 39.171 38.460 0.365 0.000 1.201 117 Y HN 0.020 nan 8.280 nan 0.000 0.455 118 G N 2.704 111.712 108.800 0.346 0.000 2.081 118 G HA2 -0.224 3.751 3.960 0.025 0.000 0.864 118 G HA3 -0.224 3.751 3.960 0.025 0.000 0.864 118 G C -0.128 174.912 174.900 0.233 0.000 1.118 118 G CA 0.102 45.360 45.100 0.263 0.000 1.148 118 G HN 0.579 nan 8.290 nan 0.000 0.671 119 K N -1.212 119.330 120.400 0.236 0.000 2.123 119 K HA 0.509 4.844 4.320 0.025 0.000 0.248 119 K C -1.102 175.644 176.600 0.244 0.000 0.969 119 K CA -0.636 55.757 56.287 0.177 0.000 0.882 119 K CB 1.702 34.278 32.500 0.127 0.000 1.080 119 K HN 0.119 nan 8.250 nan 0.000 0.441 120 V N 4.212 124.217 119.914 0.151 0.000 2.334 120 V HA 0.088 4.223 4.120 0.025 0.000 0.281 120 V C 0.510 176.661 176.094 0.094 0.000 1.016 120 V CA -0.520 61.874 62.300 0.157 0.000 0.832 120 V CB 1.196 33.053 31.823 0.057 0.000 0.999 120 V HN 0.855 nan 8.190 nan 0.000 0.439 121 D N 2.546 123.002 120.400 0.093 0.000 2.120 121 D HA 0.006 4.661 4.640 0.025 0.000 0.202 121 D C 0.618 176.936 176.300 0.030 0.000 0.972 121 D CA 1.473 55.510 54.000 0.062 0.000 0.837 121 D CB 1.033 41.872 40.800 0.065 0.000 0.989 121 D HN 0.452 nan 8.370 nan 0.000 0.469 122 V N -1.109 118.800 119.914 -0.008 0.000 3.049 122 V HA 0.720 4.855 4.120 0.025 0.000 0.309 122 V C -1.905 174.118 176.094 -0.117 0.000 1.148 122 V CA -0.775 61.493 62.300 -0.052 0.000 0.990 122 V CB 2.168 33.963 31.823 -0.046 0.000 1.039 122 V HN 0.067 nan 8.190 nan 0.000 0.430 123 A N 6.362 129.109 122.820 -0.122 0.000 2.319 123 A HA 0.847 5.182 4.320 0.025 0.000 0.310 123 A C -0.920 176.575 177.584 -0.147 0.000 1.152 123 A CA -0.648 51.299 52.037 -0.150 0.000 0.783 123 A CB 0.932 19.882 19.000 -0.084 0.000 1.184 123 A HN 0.813 nan 8.150 nan 0.000 0.474 124 I N 4.283 124.740 120.570 -0.188 0.000 2.321 124 I HA 0.466 4.651 4.170 0.025 0.000 0.291 124 I C -0.025 176.097 176.117 0.009 0.000 0.998 124 I CA -0.260 60.998 61.300 -0.069 0.000 1.227 124 I CB 0.568 38.575 38.000 0.013 0.000 1.368 124 I HN 0.690 nan 8.210 nan 0.000 0.466 125 I N 1.903 122.475 120.570 0.003 0.000 2.730 125 I HA 0.620 4.804 4.170 0.025 0.000 0.298 125 I C -0.534 175.591 176.117 0.013 0.000 1.089 125 I CA -0.823 60.487 61.300 0.018 0.000 1.041 125 I CB 2.765 40.759 38.000 -0.010 0.000 1.235 125 I HN 0.561 nan 8.210 nan 0.000 0.423 126 E N 3.900 124.108 120.200 0.015 0.000 2.191 126 E HA 0.658 5.023 4.350 0.025 0.000 0.278 126 E C -1.640 174.944 176.600 -0.027 0.000 0.972 126 E CA -0.663 55.738 56.400 0.000 0.000 0.804 126 E CB 2.057 31.755 29.700 -0.004 0.000 1.110 126 E HN 0.595 nan 8.360 nan 0.000 0.394 127 V N 2.777 122.680 119.914 -0.018 0.000 3.040 127 V HA 0.465 4.600 4.120 0.025 0.000 0.312 127 V C 0.365 176.462 176.094 0.005 0.000 1.115 127 V CA -0.193 62.092 62.300 -0.025 0.000 0.998 127 V CB 1.704 33.512 31.823 -0.025 0.000 1.042 127 V HN 0.894 nan 8.190 nan 0.000 0.433 128 A N 1.436 124.260 122.820 0.006 0.000 2.169 128 A HA 0.445 4.780 4.320 0.025 0.000 0.210 128 A C 0.300 177.903 177.584 0.032 0.000 1.168 128 A CA 0.886 52.950 52.037 0.045 0.000 0.813 128 A CB -0.026 19.009 19.000 0.059 0.000 0.861 128 A HN 0.881 nan 8.150 nan 0.000 0.481 129 D N -2.400 118.008 120.400 0.013 0.000 2.746 129 D HA 0.301 4.956 4.640 0.025 0.000 0.211 129 D C -1.819 174.475 176.300 -0.010 0.000 1.242 129 D CA -0.068 53.938 54.000 0.010 0.000 0.790 129 D CB 1.703 42.506 40.800 0.006 0.000 1.744 129 D HN 0.164 nan 8.370 nan 0.000 0.520 130 V N 3.761 123.670 119.914 -0.008 0.000 2.443 130 V HA 0.628 4.763 4.120 0.025 0.000 0.293 130 V C -0.342 175.734 176.094 -0.031 0.000 1.021 130 V CA -0.069 62.212 62.300 -0.033 0.000 0.848 130 V CB 1.494 33.285 31.823 -0.053 0.000 0.998 130 V HN 0.700 nan 8.190 nan 0.000 0.424 131 T N 4.396 118.917 114.554 -0.056 0.000 2.828 131 T HA 0.159 4.524 4.350 0.025 0.000 0.290 131 T C 0.967 175.639 174.700 -0.046 0.000 1.019 131 T CA 0.003 62.068 62.100 -0.057 0.000 1.031 131 T CB 1.348 70.153 68.868 -0.104 0.000 1.001 131 T HN 0.877 nan 8.240 nan 0.000 0.531 132 E N 0.914 121.096 120.200 -0.031 0.000 2.208 132 E HA -0.103 4.262 4.350 0.025 0.000 0.193 132 E C 1.233 177.813 176.600 -0.034 0.000 0.988 132 E CA 0.806 57.192 56.400 -0.023 0.000 0.828 132 E CB -0.007 29.690 29.700 -0.004 0.000 0.763 132 E HN 0.659 nan 8.360 nan 0.000 0.478 133 D N -1.248 119.126 120.400 -0.044 0.000 2.370 133 D HA 0.116 4.771 4.640 0.025 0.000 0.230 133 D C 0.781 177.054 176.300 -0.045 0.000 1.143 133 D CA 0.444 54.419 54.000 -0.042 0.000 0.834 133 D CB -0.281 40.491 40.800 -0.046 0.000 0.944 133 D HN 0.178 nan 8.370 nan 0.000 0.504 134 G N 0.638 109.408 108.800 -0.051 0.000 2.198 134 G HA2 -0.300 3.675 3.960 0.025 0.000 0.257 134 G HA3 -0.300 3.675 3.960 0.025 0.000 0.257 134 G C -0.153 174.723 174.900 -0.040 0.000 1.042 134 G CA -0.157 44.917 45.100 -0.044 0.000 0.791 134 G HN 0.436 nan 8.290 nan 0.000 0.502 135 K N -0.297 120.054 120.400 -0.082 0.000 2.234 135 K HA 0.582 4.917 4.320 0.025 0.000 0.277 135 K C -0.161 176.406 176.600 -0.054 0.000 1.038 135 K CA -0.750 55.472 56.287 -0.108 0.000 0.888 135 K CB 1.218 33.499 32.500 -0.364 0.000 1.091 135 K HN 0.135 nan 8.250 nan 0.000 0.467 136 I N 3.511 124.095 120.570 0.024 0.000 2.359 136 I HA 0.210 4.394 4.170 0.025 0.000 0.294 136 I C -0.795 175.330 176.117 0.013 0.000 0.987 136 I CA -0.680 60.622 61.300 0.002 0.000 1.225 136 I CB 1.326 39.320 38.000 -0.011 0.000 1.366 136 I HN 0.362 nan 8.210 nan 0.000 0.466 137 L N 9.782 130.987 121.223 -0.031 0.000 2.316 137 L HA 0.681 5.036 4.340 0.025 0.000 0.280 137 L C -2.509 174.268 176.870 -0.155 0.000 1.006 137 L CA -1.895 52.903 54.840 -0.071 0.000 0.836 137 L CB 1.017 43.075 42.059 -0.001 0.000 1.221 137 L HN 0.312 nan 8.230 nan 0.000 0.418 138 P HA 0.318 nan 4.420 nan 0.000 0.272 138 P C -0.130 177.066 177.300 -0.173 0.000 1.254 138 P CA -0.171 62.746 63.100 -0.305 0.000 0.795 138 P CB 0.510 31.948 31.700 -0.438 0.000 1.022 139 T N -3.546 110.968 114.554 -0.067 0.000 2.507 139 T HA 0.082 4.447 4.350 0.025 0.000 0.180 139 T C 1.281 176.058 174.700 0.128 0.000 0.681 139 T CA 0.910 62.976 62.100 -0.056 0.000 1.959 139 T CB -1.327 67.275 68.868 -0.443 0.000 2.896 139 T HN 0.425 nan 8.240 nan 0.000 0.391 140 T N -1.266 113.294 114.554 0.009 0.000 3.086 140 T HA 0.506 4.871 4.350 0.025 0.000 0.250 140 T C 0.689 175.454 174.700 0.108 0.000 1.074 140 T CA -0.035 62.126 62.100 0.102 0.000 0.988 140 T CB -0.233 68.695 68.868 0.100 0.000 0.988 140 T HN 0.888 nan 8.240 nan 0.000 0.530 141 G N -0.299 108.568 108.800 0.112 0.000 2.731 141 G HA2 0.536 4.511 3.960 0.025 0.000 0.298 141 G HA3 0.536 4.511 3.960 0.025 0.000 0.298 141 G C -0.047 174.933 174.900 0.133 0.000 1.424 141 G CA -0.555 44.634 45.100 0.149 0.000 1.029 141 G HN 0.030 nan 8.290 nan 0.000 0.518 142 V N 1.897 121.880 119.914 0.116 0.000 2.627 142 V HA 0.409 4.544 4.120 0.025 0.000 0.239 142 V C 2.432 178.581 176.094 0.091 0.000 1.077 142 V CA 1.868 64.211 62.300 0.071 0.000 1.103 142 V CB -0.914 30.929 31.823 0.033 0.000 0.802 142 V HN 1.633 nan 8.190 nan 0.000 0.482 143 G N 1.895 110.746 108.800 0.086 0.000 2.596 143 G HA2 -0.361 3.613 3.960 0.025 0.000 0.304 143 G HA3 -0.361 3.613 3.960 0.025 0.000 0.304 143 G C 0.679 175.641 174.900 0.103 0.000 1.189 143 G CA 0.776 45.986 45.100 0.184 0.000 0.986 143 G HN 1.096 nan 8.290 nan 0.000 0.548 144 I N -0.472 120.173 120.570 0.125 0.000 3.877 144 I HA 0.601 4.786 4.170 0.025 0.000 0.332 144 I C 1.916 178.064 176.117 0.052 0.000 1.525 144 I CA 0.177 61.522 61.300 0.076 0.000 1.146 144 I CB 0.276 38.323 38.000 0.078 0.000 1.137 144 I HN 0.494 nan 8.210 nan 0.000 0.424 145 L N 3.591 124.846 121.223 0.053 0.000 1.976 145 L HA -0.097 4.258 4.340 0.025 0.000 0.223 145 L C -0.452 176.422 176.870 0.007 0.000 1.081 145 L CA 2.773 57.629 54.840 0.028 0.000 0.784 145 L CB -1.547 40.519 42.059 0.012 0.000 0.896 145 L HN 0.217 nan 8.230 nan 0.000 0.438 146 P HA -0.151 nan 4.420 nan 0.000 0.217 146 P C 1.422 178.716 177.300 -0.009 0.000 1.148 146 P CA 2.161 65.258 63.100 -0.005 0.000 0.828 146 P CB -0.292 31.406 31.700 -0.003 0.000 0.783 147 T N 1.102 115.650 114.554 -0.010 0.000 2.896 147 T HA -0.040 4.325 4.350 0.025 0.000 0.263 147 T C 1.964 176.640 174.700 -0.039 0.000 1.050 147 T CA 1.213 63.294 62.100 -0.032 0.000 1.140 147 T CB -0.729 68.109 68.868 -0.050 0.000 0.877 147 T HN 0.254 nan 8.240 nan 0.000 0.457 148 I N -0.562 119.993 120.570 -0.026 0.000 2.439 148 I HA -0.048 4.137 4.170 0.025 0.000 0.251 148 I C 2.233 178.333 176.117 -0.028 0.000 1.139 148 I CA 0.890 62.173 61.300 -0.028 0.000 1.438 148 I CB -0.995 37.001 38.000 -0.007 0.000 1.085 148 I HN 0.172 nan 8.210 nan 0.000 0.427 149 C N 1.021 120.308 119.300 -0.023 0.000 2.450 149 C HA -0.033 4.442 4.460 0.025 0.000 0.279 149 C C 3.014 177.992 174.990 -0.021 0.000 1.335 149 C CA 0.829 59.832 59.018 -0.024 0.000 1.749 149 C CB -1.204 26.524 27.740 -0.019 0.000 1.963 149 C HN 0.548 nan 8.230 nan 0.000 0.501 150 R N 0.441 120.929 120.500 -0.019 0.000 2.062 150 R HA -0.059 4.296 4.340 0.025 0.000 0.229 150 R C 1.767 178.057 176.300 -0.017 0.000 1.128 150 R CA 1.409 57.499 56.100 -0.016 0.000 0.960 150 R CB -0.284 30.006 30.300 -0.017 0.000 0.855 150 R HN 0.303 nan 8.270 nan 0.000 0.432 151 L N 1.068 122.276 121.223 -0.025 0.000 2.313 151 L HA 0.197 4.552 4.340 0.025 0.000 0.214 151 L C 0.962 177.827 176.870 -0.008 0.000 1.119 151 L CA 0.840 55.667 54.840 -0.021 0.000 0.809 151 L CB -0.862 41.173 42.059 -0.041 0.000 0.933 151 L HN 0.137 nan 8.230 nan 0.000 0.449 152 A N -0.503 122.310 122.820 -0.012 0.000 2.462 152 A HA 0.096 4.431 4.320 0.025 0.000 0.243 152 A C 1.059 178.642 177.584 -0.001 0.000 1.076 152 A CA -0.197 51.837 52.037 -0.006 0.000 0.773 152 A CB 0.096 19.081 19.000 -0.025 0.000 1.010 152 A HN 0.220 nan 8.150 nan 0.000 0.493 153 D N 0.424 120.831 120.400 0.012 0.000 2.149 153 D HA -0.017 4.638 4.640 0.025 0.000 0.201 153 D C 0.782 177.086 176.300 0.007 0.000 0.972 153 D CA 1.458 55.469 54.000 0.019 0.000 0.835 153 D CB 0.118 40.942 40.800 0.040 0.000 0.966 153 D HN 0.760 nan 8.370 nan 0.000 0.476 154 R N -0.399 120.098 120.500 -0.006 0.000 2.740 154 R HA 0.679 5.034 4.340 0.025 0.000 0.273 154 R C -1.044 175.208 176.300 -0.080 0.000 0.998 154 R CA -0.707 55.367 56.100 -0.042 0.000 0.900 154 R CB 1.506 31.792 30.300 -0.024 0.000 1.223 154 R HN -0.178 nan 8.270 nan 0.000 0.466 155 I N 2.606 123.105 120.570 -0.120 0.000 2.465 155 I HA 0.416 4.601 4.170 0.025 0.000 0.291 155 I C -0.355 175.654 176.117 -0.181 0.000 1.014 155 I CA -1.077 60.146 61.300 -0.127 0.000 1.093 155 I CB 2.218 40.158 38.000 -0.101 0.000 1.267 155 I HN 0.466 nan 8.210 nan 0.000 0.431 156 I N 6.532 127.006 120.570 -0.159 0.000 2.354 156 I HA 0.320 4.504 4.170 0.025 0.000 0.286 156 I C -0.360 175.689 176.117 -0.113 0.000 1.007 156 I CA -0.692 60.507 61.300 -0.168 0.000 1.167 156 I CB 1.517 39.439 38.000 -0.129 0.000 1.320 156 I HN 0.197 nan 8.210 nan 0.000 0.458 157 V N 5.742 125.579 119.914 -0.129 0.000 2.644 157 V HA 0.310 4.445 4.120 0.025 0.000 0.295 157 V C 0.057 176.114 176.094 -0.063 0.000 1.053 157 V CA -0.538 61.706 62.300 -0.093 0.000 0.987 157 V CB 1.759 33.511 31.823 -0.117 0.000 1.006 157 V HN 0.692 nan 8.190 nan 0.000 0.472 158 E N 3.036 123.222 120.200 -0.024 0.000 2.235 158 E HA 0.381 4.745 4.350 0.025 0.000 0.252 158 E C -1.195 175.421 176.600 0.027 0.000 0.886 158 E CA -0.477 55.930 56.400 0.011 0.000 0.767 158 E CB 1.413 31.129 29.700 0.028 0.000 1.205 158 E HN 0.625 nan 8.360 nan 0.000 0.421 159 L N 5.002 126.254 121.223 0.049 0.000 2.312 159 L HA 0.262 4.617 4.340 0.025 0.000 0.287 159 L C -0.286 176.638 176.870 0.091 0.000 1.091 159 L CA -0.286 54.599 54.840 0.073 0.000 0.846 159 L CB 0.242 42.371 42.059 0.117 0.000 1.219 159 L HN 0.477 nan 8.230 nan 0.000 0.439 160 N N 3.148 121.910 118.700 0.103 0.000 2.458 160 N HA -0.028 4.727 4.740 0.025 0.000 0.270 160 N C 0.656 176.246 175.510 0.135 0.000 1.102 160 N CA -0.010 53.127 53.050 0.145 0.000 0.967 160 N CB 1.196 39.831 38.487 0.247 0.000 1.078 160 N HN 0.550 nan 8.380 nan 0.000 0.471 161 D N 2.464 122.918 120.400 0.091 0.000 2.123 161 D HA -0.134 4.521 4.640 0.025 0.000 0.196 161 D C 0.906 177.218 176.300 0.022 0.000 0.992 161 D CA 1.183 55.213 54.000 0.049 0.000 0.833 161 D CB 0.505 41.325 40.800 0.033 0.000 0.954 161 D HN 0.461 nan 8.370 nan 0.000 0.455 162 K N 0.415 120.818 120.400 0.006 0.000 2.442 162 K HA -0.064 4.271 4.320 0.025 0.000 0.198 162 K C 0.119 176.552 176.600 -0.279 0.000 1.042 162 K CA 0.496 56.709 56.287 -0.122 0.000 0.958 162 K CB -0.489 31.907 32.500 -0.173 0.000 0.766 162 K HN 0.388 nan 8.250 nan 0.000 0.474 163 H N 0.903 119.988 119.070 0.025 0.000 2.595 163 H HA 0.209 4.780 4.556 0.025 0.000 0.313 163 H C -2.272 172.953 175.328 -0.171 0.000 1.023 163 H CA -2.022 53.977 56.048 -0.082 0.000 1.218 163 H CB 1.075 30.857 29.762 0.033 0.000 1.403 163 H HN -0.036 nan 8.280 nan 0.000 0.477 164 P HA 0.031 nan 4.420 nan 0.000 0.275 164 P C 0.085 177.316 177.300 -0.115 0.000 1.228 164 P CA -0.676 62.310 63.100 -0.189 0.000 0.786 164 P CB 1.528 33.069 31.700 -0.266 0.000 0.927 165 K N 1.253 121.624 120.400 -0.048 0.000 2.555 165 K HA -0.072 4.263 4.320 0.025 0.000 0.193 165 K C 0.722 177.319 176.600 -0.005 0.000 1.032 165 K CA 0.980 57.261 56.287 -0.009 0.000 1.004 165 K CB -0.226 32.273 32.500 -0.001 0.000 0.804 165 K HN 0.219 nan 8.250 nan 0.000 0.496 166 E N 0.873 121.052 120.200 -0.035 0.000 2.418 166 E HA 0.029 4.394 4.350 0.025 0.000 0.197 166 E C 0.617 177.219 176.600 0.003 0.000 1.026 166 E CA 0.245 56.636 56.400 -0.013 0.000 0.862 166 E CB 0.040 29.727 29.700 -0.023 0.000 0.799 166 E HN 0.233 nan 8.360 nan 0.000 0.518 172 D N 1.915 122.349 120.400 0.056 0.000 2.375 172 D HA 0.271 4.926 4.640 0.025 0.000 0.259 172 D C -1.176 175.055 176.300 -0.115 0.000 1.235 172 D CA -0.465 53.506 54.000 -0.048 0.000 0.924 172 D CB 0.583 41.344 40.800 -0.065 0.000 1.143 172 D HN 0.297 nan 8.370 nan 0.000 0.529 173 L N 3.245 124.394 121.223 -0.124 0.000 2.309 173 L HA 0.703 5.058 4.340 0.025 0.000 0.282 173 L C 0.492 177.249 176.870 -0.189 0.000 1.036 173 L CA -0.747 54.007 54.840 -0.143 0.000 0.806 173 L CB 0.344 42.336 42.059 -0.110 0.000 1.220 173 L HN 0.755 nan 8.230 nan 0.000 0.429 174 C N 0.864 120.066 119.300 -0.164 0.000 2.959 174 C HA 0.611 5.086 4.460 0.025 0.000 0.327 174 C C -1.017 174.001 174.990 0.046 0.000 1.315 174 C CA -0.994 57.956 59.018 -0.113 0.000 1.216 174 C CB 1.661 29.293 27.740 -0.179 0.000 1.343 174 C HN 0.895 nan 8.230 nan 0.000 0.454 175 E N 1.007 121.266 120.200 0.098 0.000 2.356 175 E HA 0.767 5.132 4.350 0.025 0.000 0.275 175 E C -2.719 173.973 176.600 0.153 0.000 0.904 175 E CA -1.069 55.435 56.400 0.174 0.000 0.757 175 E CB 2.763 32.502 29.700 0.065 0.000 1.232 175 E HN 0.763 nan 8.360 nan 0.000 0.442 176 P HA 0.324 nan 4.420 nan 0.000 0.283 176 P C -0.737 176.591 177.300 0.047 0.000 1.278 176 P CA -0.740 62.416 63.100 0.094 0.000 0.834 176 P CB 0.915 32.651 31.700 0.061 0.000 1.150 177 L N 1.162 122.410 121.223 0.041 0.000 2.476 177 L HA 0.193 4.548 4.340 0.025 0.000 0.264 177 L C 0.802 177.698 176.870 0.044 0.000 1.224 177 L CA 0.841 55.702 54.840 0.034 0.000 0.821 177 L CB -0.684 41.391 42.059 0.027 0.000 1.101 177 L HN 0.350 nan 8.230 nan 0.000 0.488 178 D N 1.229 121.662 120.400 0.055 0.000 2.272 178 D HA 0.383 5.038 4.640 0.025 0.000 0.247 178 D C -2.315 174.010 176.300 0.041 0.000 0.990 178 D CA -1.268 52.793 54.000 0.101 0.000 0.931 178 D CB 1.193 42.102 40.800 0.182 0.000 1.195 178 D HN 0.276 nan 8.370 nan 0.000 0.477 179 P HA 0.050 nan 4.420 nan 0.000 0.267 179 P C -1.816 175.449 177.300 -0.058 0.000 1.201 179 P CA -0.684 62.394 63.100 -0.037 0.000 0.775 179 P CB -0.098 31.557 31.700 -0.076 0.000 0.854 180 P HA 0.153 nan 4.420 nan 0.000 0.253 180 P C 0.457 177.750 177.300 -0.012 0.000 1.459 180 P CA 0.127 63.211 63.100 -0.028 0.000 0.908 180 P CB -0.076 31.607 31.700 -0.028 0.000 1.470 181 A N -0.180 122.637 122.820 -0.004 0.000 2.430 181 A HA 0.146 4.481 4.320 0.025 0.000 0.243 181 A C 1.153 178.745 177.584 0.013 0.000 1.254 181 A CA -0.389 51.651 52.037 0.004 0.000 0.914 181 A CB -0.360 18.643 19.000 0.006 0.000 0.998 181 A HN 0.115 nan 8.150 nan 0.000 0.515 182 R N 1.059 121.568 120.500 0.016 0.000 2.537 182 R HA 0.221 4.576 4.340 0.025 0.000 0.280 182 R C -0.082 176.230 176.300 0.020 0.000 1.058 182 R CA -0.050 56.063 56.100 0.022 0.000 1.057 182 R CB 0.409 30.724 30.300 0.025 0.000 0.973 182 R HN 0.240 nan 8.270 nan 0.000 0.438 183 R N 1.791 122.307 120.500 0.026 0.000 2.843 183 R HA 0.169 4.524 4.340 0.025 0.000 0.232 183 R C -0.208 176.111 176.300 0.031 0.000 1.305 183 R CA -0.752 55.365 56.100 0.030 0.000 1.096 183 R CB 0.222 30.543 30.300 0.036 0.000 1.455 183 R HN 0.752 nan 8.270 nan 0.000 0.520 184 E N 1.396 121.620 120.200 0.040 0.000 2.374 184 E HA 0.075 4.440 4.350 0.025 0.000 0.260 184 E C -0.583 176.037 176.600 0.034 0.000 1.101 184 E CA -0.147 56.274 56.400 0.035 0.000 0.907 184 E CB 0.521 30.258 29.700 0.062 0.000 1.014 184 E HN 0.391 nan 8.360 nan 0.000 0.427 185 L N 2.988 124.215 121.223 0.006 0.000 2.288 185 L HA 0.229 4.584 4.340 0.025 0.000 0.283 185 L C -1.639 175.171 176.870 -0.100 0.000 1.072 185 L CA -1.954 52.910 54.840 0.039 0.000 0.862 185 L CB 0.701 42.795 42.059 0.059 0.000 1.245 185 L HN 0.337 nan 8.230 nan 0.000 0.432 186 P HA -0.091 nan 4.420 nan 0.000 0.272 186 P C -0.118 176.915 177.300 -0.445 0.000 1.542 186 P CA 0.502 63.475 63.100 -0.212 0.000 0.846 186 P CB 0.012 31.754 31.700 0.071 0.000 1.782 187 V N 0.980 120.518 119.914 -0.628 0.000 2.350 187 V HA 0.273 4.408 4.120 0.025 0.000 0.285 187 V C -0.238 175.443 176.094 -0.689 0.000 1.014 187 V CA -0.582 61.449 62.300 -0.447 0.000 0.831 187 V CB 0.716 32.445 31.823 -0.156 0.000 1.000 187 V HN 0.017 nan 8.190 nan 0.000 0.433 188 Y N 3.147 123.420 120.300 -0.045 0.000 2.481 188 Y HA 0.472 5.037 4.550 0.025 0.000 0.247 188 Y C 1.002 176.855 175.900 -0.078 0.000 1.151 188 Y CA -0.237 57.828 58.100 -0.058 0.000 1.238 188 Y CB 0.875 39.310 38.460 -0.041 0.000 1.179 188 Y HN 0.571 nan 8.280 nan 0.000 0.524 189 T N 1.767 116.319 114.554 -0.004 0.000 2.916 189 T HA 0.192 4.557 4.350 0.025 0.000 0.305 189 T C -2.147 172.517 174.700 -0.060 0.000 1.119 189 T CA -1.353 60.724 62.100 -0.039 0.000 1.008 189 T CB 2.362 71.206 68.868 -0.041 0.000 1.129 189 T HN -0.247 nan 8.240 nan 0.000 0.480 190 P HA -0.049 nan 4.420 nan 0.000 0.228 190 P C 0.922 178.322 177.300 0.168 0.000 1.151 190 P CA 0.736 63.958 63.100 0.204 0.000 0.770 190 P CB 0.104 32.029 31.700 0.375 0.000 0.786 191 S N -2.559 112.962 115.700 -0.299 0.000 2.568 191 S HA 0.130 4.615 4.470 0.025 0.000 0.232 191 S C 0.319 174.759 174.600 -0.266 0.000 0.975 191 S CA -0.604 57.157 58.200 -0.732 0.000 0.949 191 S CB -0.580 61.705 63.200 -1.525 0.000 0.829 191 S HN -0.114 nan 8.310 nan 0.000 0.479 192 D N 2.981 123.320 120.400 -0.102 0.000 2.390 192 D HA 0.249 4.904 4.640 0.025 0.000 0.249 192 D C 0.081 176.369 176.300 -0.019 0.000 1.144 192 D CA 0.193 54.164 54.000 -0.047 0.000 0.880 192 D CB 0.622 41.412 40.800 -0.016 0.000 1.182 192 D HN 0.274 nan 8.370 nan 0.000 0.451 193 R N 2.237 122.722 120.500 -0.025 0.000 2.312 193 R HA 0.409 4.764 4.340 0.025 0.000 0.311 193 R C 0.883 177.154 176.300 -0.048 0.000 1.004 193 R CA -0.333 55.748 56.100 -0.032 0.000 0.902 193 R CB 1.291 31.577 30.300 -0.023 0.000 1.073 193 R HN 0.551 nan 8.270 nan 0.000 0.457 194 I N -2.016 118.499 120.570 -0.092 0.000 4.439 194 I HA 0.384 4.569 4.170 0.025 0.000 0.331 194 I C 0.502 176.538 176.117 -0.135 0.000 1.345 194 I CA -0.270 60.970 61.300 -0.099 0.000 1.193 194 I CB 1.109 39.044 38.000 -0.108 0.000 1.221 194 I HN 0.557 nan 8.210 nan 0.000 0.429 195 G N 1.386 110.088 108.800 -0.164 0.000 3.211 195 G HA2 0.561 4.536 3.960 0.025 0.000 0.167 195 G HA3 0.561 4.536 3.960 0.025 0.000 0.167 195 G C -1.077 173.723 174.900 -0.168 0.000 1.212 195 G CA -0.649 44.343 45.100 -0.180 0.000 0.928 195 G HN 0.044 nan 8.290 nan 0.000 0.607 196 K N 0.589 120.851 120.400 -0.230 0.000 2.281 196 K HA 0.392 4.727 4.320 0.025 0.000 0.242 196 K C -2.042 174.405 176.600 -0.255 0.000 0.971 196 K CA -1.684 54.411 56.287 -0.321 0.000 0.834 196 K CB 3.005 35.121 32.500 -0.640 0.000 1.181 196 K HN 0.150 nan 8.250 nan 0.000 0.435 197 P HA -0.006 nan 4.420 nan 0.000 0.255 197 P C -1.311 176.063 177.300 0.124 0.000 1.357 197 P CA 0.457 63.587 63.100 0.049 0.000 0.839 197 P CB -0.126 31.657 31.700 0.138 0.000 1.356 198 Y N -3.673 116.624 120.300 -0.005 0.000 2.677 198 Y HA 0.550 5.115 4.550 0.025 0.000 0.334 198 Y C -1.854 174.019 175.900 -0.044 0.000 1.196 198 Y CA -1.950 56.125 58.100 -0.042 0.000 1.059 198 Y CB 0.613 39.057 38.460 -0.027 0.000 1.315 198 Y HN -0.231 nan 8.280 nan 0.000 0.455 199 V N 2.236 122.250 119.914 0.167 0.000 2.417 199 V HA 0.606 4.741 4.120 0.025 0.000 0.291 199 V C -1.042 175.181 176.094 0.214 0.000 1.024 199 V CA -0.356 61.997 62.300 0.088 0.000 0.861 199 V CB 1.428 33.260 31.823 0.014 0.000 0.985 199 V HN 0.964 nan 8.190 nan 0.000 0.436 200 Q N 5.036 124.946 119.800 0.183 0.000 2.278 200 Q HA 0.673 5.028 4.340 0.025 0.000 0.257 200 Q C -0.741 175.299 176.000 0.067 0.000 0.928 200 Q CA -0.145 55.758 55.803 0.167 0.000 0.932 200 Q CB 1.698 30.559 28.738 0.206 0.000 1.221 200 Q HN 1.108 nan 8.270 nan 0.000 0.434 201 V N 0.313 120.249 119.914 0.036 0.000 3.141 201 V HA 0.609 4.744 4.120 0.025 0.000 0.312 201 V C -0.782 175.311 176.094 -0.002 0.000 1.157 201 V CA -1.170 61.136 62.300 0.009 0.000 1.041 201 V CB 2.069 33.886 31.823 -0.009 0.000 1.071 201 V HN 0.764 nan 8.190 nan 0.000 0.441 202 D N 3.021 123.416 120.400 -0.008 0.000 2.339 202 D HA 0.336 4.991 4.640 0.025 0.000 0.256 202 D C -1.300 174.984 176.300 -0.026 0.000 1.214 202 D CA -1.894 52.099 54.000 -0.012 0.000 0.877 202 D CB 1.881 42.676 40.800 -0.009 0.000 1.111 202 D HN 0.509 nan 8.370 nan 0.000 0.478 203 P HA -0.179 nan 4.420 nan 0.000 0.220 203 P C 0.939 178.210 177.300 -0.049 0.000 1.144 203 P CA 0.767 63.840 63.100 -0.045 0.000 0.800 203 P CB 0.187 31.863 31.700 -0.040 0.000 0.772 204 A N 0.405 123.205 122.820 -0.033 0.000 2.067 204 A HA -0.131 4.204 4.320 0.025 0.000 0.219 204 A C 2.150 179.711 177.584 -0.038 0.000 1.158 204 A CA 1.217 53.237 52.037 -0.029 0.000 0.661 204 A CB -0.850 18.142 19.000 -0.013 0.000 0.801 204 A HN 0.210 nan 8.150 nan 0.000 0.452 205 K N -0.265 120.108 120.400 -0.045 0.000 2.366 205 K HA 0.102 4.437 4.320 0.025 0.000 0.198 205 K C -0.185 176.356 176.600 -0.098 0.000 1.044 205 K CA 0.149 56.403 56.287 -0.054 0.000 0.973 205 K CB 0.053 32.528 32.500 -0.043 0.000 0.767 205 K HN 0.347 nan 8.250 nan 0.000 0.475 206 I N 3.063 123.565 120.570 -0.114 0.000 2.389 206 I HA -0.062 4.123 4.170 0.025 0.000 0.295 206 I C 1.507 177.490 176.117 -0.224 0.000 1.117 206 I CA 0.294 61.493 61.300 -0.167 0.000 1.317 206 I CB 0.084 37.988 38.000 -0.160 0.000 1.431 206 I HN -0.094 nan 8.210 nan 0.000 0.521 207 V N 3.650 123.360 119.914 -0.340 0.000 3.141 207 V HA 0.402 4.537 4.120 0.025 0.000 0.265 207 V C 0.858 176.639 176.094 -0.522 0.000 1.126 207 V CA 0.852 62.831 62.300 -0.535 0.000 1.141 207 V CB -0.705 30.421 31.823 -1.161 0.000 0.743 207 V HN 0.865 nan 8.190 nan 0.000 0.492 208 G N -1.352 107.211 108.800 -0.396 0.000 2.404 208 G HA2 0.478 4.453 3.960 0.025 0.000 0.298 208 G HA3 0.478 4.453 3.960 0.025 0.000 0.298 208 G C -1.699 173.023 174.900 -0.297 0.000 1.577 208 G CA -0.120 44.794 45.100 -0.310 0.000 0.847 208 G HN 0.376 nan 8.290 nan 0.000 0.598 209 V N 0.972 120.666 119.914 -0.366 0.000 2.376 209 V HA 0.525 4.660 4.120 0.025 0.000 0.287 209 V C 0.060 176.056 176.094 -0.163 0.000 1.015 209 V CA -0.736 61.341 62.300 -0.371 0.000 0.834 209 V CB 1.421 32.788 31.823 -0.760 0.000 1.001 209 V HN 0.708 nan 8.190 nan 0.000 0.428 210 V N 5.899 125.788 119.914 -0.041 0.000 2.383 210 V HA 0.433 4.568 4.120 0.025 0.000 0.275 210 V C 0.532 176.686 176.094 0.099 0.000 1.036 210 V CA -0.728 61.605 62.300 0.054 0.000 0.889 210 V CB 1.198 33.044 31.823 0.037 0.000 0.985 210 V HN 0.764 nan 8.190 nan 0.000 0.459 211 R N 3.167 123.761 120.500 0.156 0.000 2.340 211 R HA 0.544 4.899 4.340 0.025 0.000 0.300 211 R C 0.302 176.656 176.300 0.089 0.000 1.069 211 R CA -0.117 56.066 56.100 0.139 0.000 0.984 211 R CB 1.234 31.618 30.300 0.140 0.000 1.003 211 R HN 0.923 nan 8.270 nan 0.000 0.459 212 T N -2.063 112.539 114.554 0.081 0.000 2.864 212 T HA 0.436 4.801 4.350 0.025 0.000 0.289 212 T C -0.436 174.304 174.700 0.067 0.000 1.082 212 T CA -0.829 61.312 62.100 0.068 0.000 1.009 212 T CB 2.059 70.968 68.868 0.069 0.000 1.234 212 T HN 0.321 nan 8.240 nan 0.000 0.526 213 S N 0.764 116.499 115.700 0.058 0.000 2.381 213 S HA 0.368 4.853 4.470 0.025 0.000 0.193 213 S C -1.565 173.066 174.600 0.051 0.000 1.287 213 S CA -0.578 57.653 58.200 0.051 0.000 1.199 213 S CB 0.061 63.281 63.200 0.033 0.000 1.214 213 S HN 0.624 nan 8.310 nan 0.000 0.444 214 E N 4.754 124.999 120.200 0.074 0.000 2.145 214 E HA 0.419 4.784 4.350 0.025 0.000 0.262 214 E C -2.638 174.008 176.600 0.076 0.000 0.883 214 E CA -2.070 54.374 56.400 0.073 0.000 0.748 214 E CB 1.899 31.652 29.700 0.088 0.000 1.140 214 E HN 0.425 nan 8.360 nan 0.000 0.417 215 P HA 0.201 nan 4.420 nan 0.000 0.278 215 P C -0.340 176.979 177.300 0.032 0.000 1.258 215 P CA -0.689 62.418 63.100 0.012 0.000 0.811 215 P CB 1.013 32.712 31.700 -0.003 0.000 1.063 216 N N 0.415 119.124 118.700 0.015 0.000 2.482 216 N HA 0.113 4.868 4.740 0.025 0.000 0.260 216 N C -0.248 175.265 175.510 0.005 0.000 1.236 216 N CA 0.271 53.335 53.050 0.024 0.000 0.938 216 N CB -0.221 38.264 38.487 -0.004 0.000 1.128 216 N HN 0.345 nan 8.380 nan 0.000 0.448 217 D N 0.044 120.448 120.400 0.008 0.000 2.371 217 D HA 0.131 4.786 4.640 0.025 0.000 0.242 217 D C 0.185 176.481 176.300 -0.007 0.000 1.218 217 D CA 0.109 54.110 54.000 0.002 0.000 0.945 217 D CB 0.584 41.386 40.800 0.003 0.000 1.137 217 D HN 0.413 nan 8.370 nan 0.000 0.464 218 E N -0.446 119.751 120.200 -0.005 0.000 2.239 218 E HA 0.362 4.727 4.350 0.025 0.000 0.261 218 E C -0.875 175.725 176.600 -0.001 0.000 1.016 218 E CA -0.861 55.535 56.400 -0.008 0.000 0.882 218 E CB 0.852 30.549 29.700 -0.005 0.000 1.190 218 E HN 0.332 nan 8.360 nan 0.000 0.415 219 S N 2.091 117.789 115.700 -0.002 0.000 2.525 219 S HA 0.202 4.686 4.470 0.025 0.000 0.285 219 S C -0.625 173.991 174.600 0.027 0.000 1.283 219 S CA -0.574 57.629 58.200 0.005 0.000 1.072 219 S CB 0.245 63.445 63.200 -0.001 0.000 0.867 219 S HN 0.367 nan 8.310 nan 0.000 0.492 220 D N 2.230 122.653 120.400 0.038 0.000 2.308 220 D HA 0.323 4.978 4.640 0.025 0.000 0.242 220 D C -0.036 176.345 176.300 0.134 0.000 1.059 220 D CA -0.658 53.391 54.000 0.082 0.000 0.830 220 D CB 0.616 41.457 40.800 0.069 0.000 1.161 220 D HN 0.544 nan 8.370 nan 0.000 0.494 221 F N 2.361 122.305 119.950 -0.010 0.000 1.891 221 F HA -0.223 4.320 4.527 0.026 0.000 0.205 221 F C -0.588 175.208 175.800 -0.007 0.000 0.957 221 F CA -0.334 57.662 58.000 -0.008 0.000 0.612 221 F CB -0.207 38.788 39.000 -0.008 0.000 0.630 221 F HN 0.370 nan 8.300 nan 0.000 0.712 222 A N 8.511 131.139 122.820 -0.319 0.000 3.159 222 A HA 0.527 4.862 4.320 0.025 0.000 0.330 222 A C -2.158 175.179 177.584 -0.412 0.000 1.032 222 A CA -0.793 50.997 52.037 -0.413 0.000 0.841 222 A CB -0.258 18.640 19.000 -0.170 0.000 1.093 222 A HN 0.562 nan 8.150 nan 0.000 0.478 223 P HA 0.304 nan 4.420 nan 0.000 0.272 223 P C -0.416 176.773 177.300 -0.185 0.000 1.223 223 P CA -0.252 62.660 63.100 -0.314 0.000 0.784 223 P CB 0.960 32.477 31.700 -0.305 0.000 0.923 224 L N 1.979 123.158 121.223 -0.074 0.000 2.439 224 L HA 0.359 4.714 4.340 0.025 0.000 0.261 224 L C 0.260 177.104 176.870 -0.044 0.000 1.153 224 L CA 0.531 55.338 54.840 -0.054 0.000 0.808 224 L CB 0.314 42.358 42.059 -0.024 0.000 1.126 224 L HN 0.529 nan 8.230 nan 0.000 0.460 225 D N 2.669 123.043 120.400 -0.043 0.000 2.936 225 D HA 0.375 5.030 4.640 0.025 0.000 0.238 225 D C -2.055 174.222 176.300 -0.038 0.000 1.248 225 D CA -1.405 52.573 54.000 -0.036 0.000 0.903 225 D CB 2.145 42.919 40.800 -0.043 0.000 1.544 225 D HN 0.186 nan 8.370 nan 0.000 0.543 226 P HA -0.191 nan 4.420 nan 0.000 0.216 226 P C 1.442 178.695 177.300 -0.079 0.000 1.150 226 P CA 0.682 63.752 63.100 -0.050 0.000 0.843 226 P CB 0.350 32.023 31.700 -0.044 0.000 0.787 227 V N 0.856 120.720 119.914 -0.083 0.000 2.343 227 V HA -0.203 3.932 4.120 0.025 0.000 0.247 227 V C 2.979 179.021 176.094 -0.086 0.000 1.051 227 V CA 2.720 64.952 62.300 -0.113 0.000 1.036 227 V CB -2.001 29.770 31.823 -0.087 0.000 0.654 227 V HN 0.327 nan 8.190 nan 0.000 0.451 228 T N -2.909 111.610 114.554 -0.058 0.000 2.904 228 T HA -0.179 4.186 4.350 0.025 0.000 0.267 228 T C 1.829 176.505 174.700 -0.039 0.000 1.059 228 T CA 0.867 62.941 62.100 -0.043 0.000 1.137 228 T CB -0.205 68.640 68.868 -0.039 0.000 0.879 228 T HN 0.358 nan 8.240 nan 0.000 0.467 229 Q N 1.292 121.067 119.800 -0.043 0.000 2.050 229 Q HA 0.057 4.412 4.340 0.025 0.000 0.202 229 Q C 2.806 178.784 176.000 -0.037 0.000 0.980 229 Q CA 1.861 57.644 55.803 -0.033 0.000 0.840 229 Q CB -0.988 27.730 28.738 -0.033 0.000 0.898 229 Q HN 0.723 nan 8.270 nan 0.000 0.424 230 A N 1.115 123.899 122.820 -0.061 0.000 1.851 230 A HA -0.179 4.156 4.320 0.025 0.000 0.216 230 A C 2.227 179.782 177.584 -0.048 0.000 1.195 230 A CA 1.377 53.370 52.037 -0.072 0.000 0.622 230 A CB -0.858 18.057 19.000 -0.141 0.000 0.831 230 A HN 0.313 nan 8.150 nan 0.000 0.444 231 I N -0.264 120.276 120.570 -0.050 0.000 2.118 231 I HA -0.282 3.903 4.170 0.025 0.000 0.241 231 I C 2.721 178.838 176.117 -0.001 0.000 1.070 231 I CA 1.376 62.664 61.300 -0.020 0.000 1.327 231 I CB -0.748 37.243 38.000 -0.014 0.000 1.034 231 I HN 0.431 nan 8.210 nan 0.000 0.405 232 G N 0.015 108.812 108.800 -0.004 0.000 2.442 232 G HA2 -0.345 3.630 3.960 0.025 0.000 0.219 232 G HA3 -0.345 3.630 3.960 0.025 0.000 0.219 232 G C 1.260 176.169 174.900 0.015 0.000 1.141 232 G CA 1.377 46.481 45.100 0.007 0.000 0.763 232 G HN 0.412 nan 8.290 nan 0.000 0.554 233 D N 0.318 120.723 120.400 0.009 0.000 2.117 233 D HA -0.092 4.563 4.640 0.025 0.000 0.198 233 D C 2.335 178.656 176.300 0.035 0.000 0.982 233 D CA 1.002 55.011 54.000 0.016 0.000 0.828 233 D CB -0.049 40.755 40.800 0.007 0.000 0.967 233 D HN 0.114 nan 8.370 nan 0.000 0.464 234 N N -0.021 118.701 118.700 0.035 0.000 2.104 234 N HA -0.139 4.616 4.740 0.025 0.000 0.190 234 N C 1.968 177.542 175.510 0.107 0.000 1.024 234 N CA 0.899 53.985 53.050 0.061 0.000 0.853 234 N CB -0.523 37.986 38.487 0.037 0.000 1.008 234 N HN 0.167 nan 8.380 nan 0.000 0.424 235 V N 1.598 121.564 119.914 0.088 0.000 2.255 235 V HA -0.222 3.913 4.120 0.025 0.000 0.247 235 V C 2.478 178.665 176.094 0.155 0.000 1.051 235 V CA 1.943 64.323 62.300 0.134 0.000 1.018 235 V CB -1.113 30.756 31.823 0.077 0.000 0.641 235 V HN 0.319 nan 8.190 nan 0.000 0.445 236 A N -0.028 122.837 122.820 0.074 0.000 1.902 236 A HA -0.118 4.217 4.320 0.025 0.000 0.217 236 A C 2.393 179.987 177.584 0.017 0.000 1.181 236 A CA 2.217 54.267 52.037 0.022 0.000 0.623 236 A CB -0.824 18.174 19.000 -0.004 0.000 0.818 236 A HN 0.597 nan 8.150 nan 0.000 0.443 237 A N -1.364 121.489 122.820 0.055 0.000 1.969 237 A HA 0.049 4.384 4.320 0.025 0.000 0.218 237 A C 1.992 179.631 177.584 0.092 0.000 1.169 237 A CA 1.493 53.561 52.037 0.052 0.000 0.635 237 A CB -0.640 18.398 19.000 0.062 0.000 0.810 237 A HN 0.707 nan 8.150 nan 0.000 0.445 238 F N 0.452 120.406 119.950 0.007 0.000 2.084 238 F HA -0.120 4.416 4.527 0.015 0.000 0.296 238 F C 1.728 177.546 175.800 0.028 0.000 1.111 238 F CA 1.380 59.395 58.000 0.024 0.000 1.224 238 F CB -0.497 38.525 39.000 0.037 0.000 0.991 238 F HN 0.133 nan 8.300 nan 0.000 0.471 239 L N 0.670 121.791 121.223 -0.171 0.000 1.989 239 L HA -0.177 4.178 4.340 0.025 0.000 0.211 239 L C 2.906 179.640 176.870 -0.227 0.000 1.071 239 L CA 2.079 56.777 54.840 -0.237 0.000 0.749 239 L CB -1.662 40.405 42.059 0.013 0.000 0.890 239 L HN 0.325 nan 8.230 nan 0.000 0.431 240 V N -3.565 116.236 119.914 -0.188 0.000 2.407 240 V HA -0.236 3.899 4.120 0.025 0.000 0.248 240 V C 2.542 178.553 176.094 -0.139 0.000 1.055 240 V CA 1.998 64.190 62.300 -0.180 0.000 1.049 240 V CB -1.039 30.698 31.823 -0.143 0.000 0.662 240 V HN 0.469 nan 8.190 nan 0.000 0.455 241 S N -0.567 115.054 115.700 -0.132 0.000 2.399 241 S HA -0.099 4.386 4.470 0.025 0.000 0.231 241 S C 1.247 175.764 174.600 -0.139 0.000 1.022 241 S CA 0.752 58.893 58.200 -0.097 0.000 0.983 241 S CB -0.551 62.629 63.200 -0.033 0.000 0.803 241 S HN 0.785 nan 8.310 nan 0.000 0.480 245 A N 1.741 124.550 122.820 -0.017 0.000 2.169 245 A HA 0.473 4.808 4.320 0.025 0.000 0.212 245 A C 1.653 179.244 177.584 0.011 0.000 1.153 245 A CA 1.153 53.190 52.037 -0.001 0.000 0.756 245 A CB -0.342 18.657 19.000 -0.001 0.000 0.813 245 A HN 0.993 nan 8.150 nan 0.000 0.471 246 G N -0.989 107.818 108.800 0.011 0.000 2.141 246 G HA2 -0.250 3.725 3.960 0.025 0.000 0.231 246 G HA3 -0.250 3.725 3.960 0.025 0.000 0.231 246 G C 0.797 175.728 174.900 0.052 0.000 0.984 246 G CA 0.461 45.578 45.100 0.028 0.000 0.660 246 G HN 0.498 nan 8.290 nan 0.000 0.525 247 R N -0.594 119.937 120.500 0.052 0.000 2.317 247 R HA 0.498 4.853 4.340 0.025 0.000 0.208 247 R C 0.542 176.952 176.300 0.184 0.000 0.914 247 R CA 0.481 56.641 56.100 0.100 0.000 1.060 247 R CB 0.330 30.673 30.300 0.072 0.000 1.015 247 R HN 0.486 nan 8.270 nan 0.000 0.498 248 I N 1.569 122.201 120.570 0.102 0.000 2.644 248 I HA 0.265 4.450 4.170 0.025 0.000 0.291 248 I C -2.401 173.724 176.117 0.014 0.000 1.180 248 I CA -2.603 58.722 61.300 0.040 0.000 1.040 248 I CB 2.608 40.610 38.000 0.004 0.000 1.255 248 I HN -0.181 nan 8.210 nan 0.000 0.422 249 P HA 0.051 nan 4.420 nan 0.000 0.265 249 P C 0.102 177.418 177.300 0.026 0.000 1.187 249 P CA -0.211 62.889 63.100 0.000 0.000 0.766 249 P CB 0.983 32.666 31.700 -0.027 0.000 0.820 250 K N 1.466 121.881 120.400 0.025 0.000 2.173 250 K HA -0.158 4.177 4.320 0.025 0.000 0.207 250 K C 1.073 177.699 176.600 0.042 0.000 1.046 250 K CA 1.590 57.890 56.287 0.022 0.000 0.929 250 K CB -0.404 32.102 32.500 0.011 0.000 0.720 250 K HN 0.460 nan 8.250 nan 0.000 0.453 251 D N -0.980 119.456 120.400 0.059 0.000 2.328 251 D HA 0.062 4.717 4.640 0.025 0.000 0.226 251 D C 0.247 176.668 176.300 0.202 0.000 1.066 251 D CA 0.093 54.148 54.000 0.091 0.000 0.861 251 D CB -0.092 40.745 40.800 0.061 0.000 0.912 251 D HN 0.144 nan 8.370 nan 0.000 0.521 252 F N -1.104 118.810 119.950 -0.059 0.000 2.183 252 F HA -0.345 4.197 4.527 0.025 0.000 0.318 252 F C -1.156 174.578 175.800 -0.109 0.000 0.255 252 F CA -0.352 57.596 58.000 -0.086 0.000 0.912 252 F CB -0.310 38.668 39.000 -0.036 0.000 4.135 252 F HN -0.120 nan 8.300 nan 0.000 0.137 253 L N 0.633 121.507 121.223 -0.582 0.000 2.397 253 L HA 0.610 4.965 4.340 0.025 0.000 0.251 253 L C -2.409 174.180 176.870 -0.468 0.000 1.064 253 L CA -1.827 52.728 54.840 -0.475 0.000 0.859 253 L CB 1.268 42.993 42.059 -0.557 0.000 1.468 253 L HN 0.187 nan 8.230 nan 0.000 0.411 254 P HA 0.383 nan 4.420 nan 0.000 0.271 254 P C -1.041 176.184 177.300 -0.125 0.000 1.218 254 P CA -0.065 62.996 63.100 -0.065 0.000 0.780 254 P CB 0.505 32.222 31.700 0.029 0.000 0.901 255 L N 1.831 123.041 121.223 -0.023 0.000 2.303 255 L HA 0.627 4.982 4.340 0.025 0.000 0.266 255 L C 0.014 176.872 176.870 -0.021 0.000 1.011 255 L CA -0.774 54.022 54.840 -0.073 0.000 0.818 255 L CB 1.839 43.835 42.059 -0.104 0.000 1.326 255 L HN 0.314 nan 8.230 nan 0.000 0.435 256 Q N 1.740 121.471 119.800 -0.115 0.000 2.309 256 Q HA 0.544 4.899 4.340 0.025 0.000 0.273 256 Q C -1.725 174.124 176.000 -0.251 0.000 1.040 256 Q CA -0.356 55.291 55.803 -0.259 0.000 0.834 256 Q CB 2.613 31.020 28.738 -0.552 0.000 1.345 256 Q HN 0.784 nan 8.270 nan 0.000 0.414 257 S N 1.383 116.947 115.700 -0.227 0.000 2.588 257 S HA 0.883 5.368 4.470 0.025 0.000 0.275 257 S C -0.019 174.491 174.600 -0.149 0.000 1.130 257 S CA -0.154 57.949 58.200 -0.162 0.000 0.855 257 S CB 1.505 64.658 63.200 -0.078 0.000 1.116 257 S HN 0.719 nan 8.310 nan 0.000 0.472 258 G N 0.181 108.920 108.800 -0.102 0.000 2.494 258 G HA2 0.570 4.545 3.960 0.025 0.000 0.270 258 G HA3 0.570 4.545 3.960 0.025 0.000 0.270 258 G C -0.818 174.064 174.900 -0.031 0.000 1.423 258 G CA -0.678 44.387 45.100 -0.057 0.000 1.055 258 G HN 0.919 nan 8.290 nan 0.000 0.536 259 V N -0.388 119.521 119.914 -0.008 0.000 2.630 259 V HA 0.865 5.000 4.120 0.025 0.000 0.305 259 V C 0.773 176.866 176.094 -0.001 0.000 1.046 259 V CA 0.810 63.107 62.300 -0.004 0.000 0.934 259 V CB 0.771 32.595 31.823 0.001 0.000 1.003 259 V HN 1.698 nan 8.190 nan 0.000 0.451 260 G N 3.093 111.887 108.800 -0.010 0.000 2.361 260 G HA2 -0.075 3.900 3.960 0.025 0.000 0.331 260 G HA3 -0.075 3.900 3.960 0.025 0.000 0.331 260 G C -0.031 174.853 174.900 -0.027 0.000 1.324 260 G CA -0.064 45.026 45.100 -0.016 0.000 0.984 260 G HN 0.568 nan 8.290 nan 0.000 0.586 261 N N -0.932 117.745 118.700 -0.038 0.000 2.120 261 N HA -0.113 4.642 4.740 0.025 0.000 0.188 261 N C 2.388 177.879 175.510 -0.032 0.000 1.024 261 N CA 1.473 54.494 53.050 -0.049 0.000 0.852 261 N CB -0.018 38.429 38.487 -0.067 0.000 1.003 261 N HN 0.319 nan 8.380 nan 0.000 0.424 262 V N 1.611 121.512 119.914 -0.022 0.000 2.261 262 V HA -0.262 3.873 4.120 0.025 0.000 0.246 262 V C 2.456 178.545 176.094 -0.010 0.000 1.047 262 V CA 2.006 64.298 62.300 -0.014 0.000 1.015 262 V CB -1.014 30.806 31.823 -0.004 0.000 0.642 262 V HN 0.351 nan 8.190 nan 0.000 0.446 263 A N 0.380 123.194 122.820 -0.010 0.000 1.892 263 A HA -0.340 3.995 4.320 0.025 0.000 0.218 263 A C 2.048 179.633 177.584 0.001 0.000 1.188 263 A CA 2.617 54.649 52.037 -0.009 0.000 0.631 263 A CB -1.042 17.950 19.000 -0.014 0.000 0.822 263 A HN 0.720 nan 8.150 nan 0.000 0.447 264 N N -0.158 118.539 118.700 -0.004 0.000 2.104 264 N HA -0.090 4.665 4.740 0.025 0.000 0.190 264 N C 1.952 177.467 175.510 0.007 0.000 1.024 264 N CA 1.031 54.082 53.050 0.001 0.000 0.853 264 N CB -0.250 38.227 38.487 -0.016 0.000 1.008 264 N HN 0.533 nan 8.380 nan 0.000 0.424 265 A N 0.776 123.595 122.820 -0.002 0.000 1.898 265 A HA -0.059 4.275 4.320 0.025 0.000 0.216 265 A C 2.415 180.006 177.584 0.012 0.000 1.181 265 A CA 0.965 53.002 52.037 -0.000 0.000 0.620 265 A CB -0.669 18.324 19.000 -0.011 0.000 0.819 265 A HN 0.081 nan 8.150 nan 0.000 0.442 266 V N 0.227 120.148 119.914 0.013 0.000 2.261 266 V HA -0.283 3.852 4.120 0.025 0.000 0.246 266 V C 2.588 178.704 176.094 0.038 0.000 1.047 266 V CA 2.087 64.398 62.300 0.019 0.000 1.015 266 V CB -0.848 30.981 31.823 0.009 0.000 0.642 266 V HN 0.577 nan 8.190 nan 0.000 0.446 267 L N 0.334 121.591 121.223 0.058 0.000 2.042 267 L HA -0.138 4.217 4.340 0.025 0.000 0.210 267 L C 2.633 179.576 176.870 0.122 0.000 1.076 267 L CA 1.856 56.768 54.840 0.120 0.000 0.749 267 L CB -1.154 40.976 42.059 0.118 0.000 0.893 267 L HN 0.488 nan 8.230 nan 0.000 0.432 268 G N -0.665 108.178 108.800 0.072 0.000 2.418 268 G HA2 -0.233 3.742 3.960 0.025 0.000 0.217 268 G HA3 -0.233 3.742 3.960 0.025 0.000 0.217 268 G C 1.774 176.708 174.900 0.057 0.000 1.158 268 G CA 0.781 45.917 45.100 0.060 0.000 0.771 268 G HN 0.470 nan 8.290 nan 0.000 0.545 269 A N 0.678 123.523 122.820 0.042 0.000 1.883 269 A HA 0.045 4.380 4.320 0.025 0.000 0.217 269 A C 2.457 180.062 177.584 0.033 0.000 1.186 269 A CA 1.409 53.464 52.037 0.029 0.000 0.624 269 A CB -0.473 18.538 19.000 0.019 0.000 0.822 269 A HN 0.356 nan 8.150 nan 0.000 0.444 270 L N -0.686 120.564 121.223 0.045 0.000 2.012 270 L HA -0.164 4.191 4.340 0.025 0.000 0.210 270 L C 2.849 179.800 176.870 0.136 0.000 1.073 270 L CA 1.273 56.134 54.840 0.035 0.000 0.748 270 L CB -0.887 41.158 42.059 -0.023 0.000 0.891 270 L HN 0.492 nan 8.230 nan 0.000 0.431 271 G N -0.861 108.054 108.800 0.192 0.000 2.432 271 G HA2 -0.240 3.735 3.960 0.025 0.000 0.219 271 G HA3 -0.240 3.735 3.960 0.025 0.000 0.219 271 G C 1.088 176.039 174.900 0.085 0.000 1.135 271 G CA 0.849 46.048 45.100 0.164 0.000 0.767 271 G HN 0.293 nan 8.290 nan 0.000 0.550 272 D N -0.336 120.098 120.400 0.058 0.000 2.348 272 D HA 0.016 4.670 4.640 0.025 0.000 0.211 272 D C 0.581 176.891 176.300 0.016 0.000 0.998 272 D CA -0.013 54.005 54.000 0.031 0.000 0.873 272 D CB 0.053 40.868 40.800 0.024 0.000 0.925 272 D HN 0.130 nan 8.370 nan 0.000 0.524 273 N N 1.412 120.118 118.700 0.010 0.000 2.437 273 N HA 0.060 4.815 4.740 0.025 0.000 0.243 273 N C -1.776 173.719 175.510 -0.024 0.000 1.041 273 N CA -1.541 51.499 53.050 -0.016 0.000 0.940 273 N CB 1.884 40.348 38.487 -0.039 0.000 1.133 273 N HN -0.079 nan 8.380 nan 0.000 0.506 274 P HA -0.096 nan 4.420 nan 0.000 0.221 274 P C 0.218 177.492 177.300 -0.043 0.000 1.145 274 P CA 0.982 64.070 63.100 -0.020 0.000 0.795 274 P CB 0.555 32.247 31.700 -0.013 0.000 0.775 275 D N -0.559 119.801 120.400 -0.066 0.000 2.363 275 D HA 0.025 4.680 4.640 0.025 0.000 0.220 275 D C 0.767 176.965 176.300 -0.170 0.000 0.994 275 D CA 0.489 54.432 54.000 -0.096 0.000 0.890 275 D CB 0.154 40.900 40.800 -0.091 0.000 0.906 275 D HN 0.196 nan 8.370 nan 0.000 0.530 276 I N 3.959 124.418 120.570 -0.185 0.000 2.301 276 I HA 0.146 4.331 4.170 0.025 0.000 0.292 276 I C -1.975 174.049 176.117 -0.154 0.000 1.046 276 I CA -2.123 58.978 61.300 -0.331 0.000 1.282 276 I CB 0.826 38.642 38.000 -0.308 0.000 1.409 276 I HN -0.244 nan 8.210 nan 0.000 0.484 277 P HA 0.110 nan 4.420 nan 0.000 0.272 277 P C -0.324 177.093 177.300 0.195 0.000 1.223 277 P CA -0.443 62.670 63.100 0.022 0.000 0.784 277 P CB 0.865 32.581 31.700 0.027 0.000 0.923 278 A N 3.041 125.949 122.820 0.148 0.000 2.591 278 A HA 0.276 4.611 4.320 0.025 0.000 0.244 278 A C 0.202 177.930 177.584 0.240 0.000 1.031 278 A CA 0.382 52.490 52.037 0.118 0.000 0.767 278 A CB -1.235 17.786 19.000 0.036 0.000 0.942 278 A HN 0.522 nan 8.150 nan 0.000 0.514 279 F N 0.784 120.823 119.950 0.148 0.000 2.631 279 F HA 0.776 5.320 4.527 0.027 0.000 0.328 279 F C -0.250 175.637 175.800 0.145 0.000 1.067 279 F CA -1.466 56.653 58.000 0.199 0.000 0.969 279 F CB 1.244 40.461 39.000 0.363 0.000 1.332 279 F HN 0.517 nan 8.300 nan 0.000 0.490 283 T N -2.759 111.710 114.554 -0.141 0.000 2.893 283 T HA 0.468 4.833 4.350 0.025 0.000 0.281 283 T C 0.846 175.453 174.700 -0.156 0.000 1.027 283 T CA -0.187 61.788 62.100 -0.208 0.000 0.953 283 T CB 1.845 70.617 68.868 -0.162 0.000 1.434 283 T HN 0.398 nan 8.240 nan 0.000 0.597 284 E N -0.571 119.558 120.200 -0.118 0.000 2.083 284 E HA 0.245 4.610 4.350 0.025 0.000 0.193 284 E C 0.492 177.099 176.600 0.012 0.000 0.950 284 E CA 0.234 56.630 56.400 -0.008 0.000 0.849 284 E CB 0.387 30.192 29.700 0.175 0.000 0.827 284 E HN 0.463 nan 8.360 nan 0.000 0.465 285 V N 0.979 120.936 119.914 0.071 0.000 2.495 285 V HA 0.443 4.578 4.120 0.025 0.000 0.298 285 V C -0.775 175.323 176.094 0.007 0.000 1.031 285 V CA -0.756 61.596 62.300 0.087 0.000 0.871 285 V CB 1.329 33.239 31.823 0.146 0.000 0.988 285 V HN 0.087 nan 8.190 nan 0.000 0.432 286 I N 7.581 128.145 120.570 -0.009 0.000 2.312 286 I HA 0.384 4.569 4.170 0.025 0.000 0.291 286 I C 0.476 176.583 176.117 -0.018 0.000 1.031 286 I CA -0.291 60.991 61.300 -0.030 0.000 1.293 286 I CB 1.176 39.139 38.000 -0.062 0.000 1.403 286 I HN 0.826 nan 8.210 nan 0.000 0.484 287 Q N 4.664 124.456 119.800 -0.013 0.000 2.286 287 Q HA 0.306 4.661 4.340 0.025 0.000 0.250 287 Q C -0.231 175.761 176.000 -0.014 0.000 1.021 287 Q CA -0.655 55.140 55.803 -0.012 0.000 0.930 287 Q CB 1.084 29.817 28.738 -0.007 0.000 1.266 287 Q HN 0.440 nan 8.270 nan 0.000 0.491 288 D N 1.027 121.416 120.400 -0.018 0.000 2.116 288 D HA -0.152 4.503 4.640 0.025 0.000 0.193 288 D C 1.798 178.100 176.300 0.004 0.000 0.998 288 D CA 2.378 56.368 54.000 -0.017 0.000 0.836 288 D CB -0.482 40.305 40.800 -0.021 0.000 0.951 288 D HN 0.690 nan 8.370 nan 0.000 0.449 289 A N 0.480 123.305 122.820 0.009 0.000 1.948 289 A HA -0.193 4.141 4.320 0.025 0.000 0.220 289 A C 2.520 180.128 177.584 0.040 0.000 1.177 289 A CA 1.537 53.589 52.037 0.025 0.000 0.636 289 A CB -0.752 18.264 19.000 0.026 0.000 0.815 289 A HN 0.185 nan 8.150 nan 0.000 0.449 290 V N 0.451 120.386 119.914 0.034 0.000 2.323 290 V HA -0.206 3.929 4.120 0.025 0.000 0.244 290 V C 2.428 178.545 176.094 0.039 0.000 1.041 290 V CA 1.597 63.917 62.300 0.034 0.000 1.025 290 V CB -0.593 31.239 31.823 0.015 0.000 0.656 290 V HN 0.523 nan 8.190 nan 0.000 0.451 291 I N 0.878 121.480 120.570 0.054 0.000 2.208 291 I HA -0.244 3.941 4.170 0.025 0.000 0.245 291 I C 2.749 178.954 176.117 0.147 0.000 1.097 291 I CA 2.004 63.381 61.300 0.128 0.000 1.363 291 I CB -1.737 36.305 38.000 0.069 0.000 1.051 291 I HN 0.313 nan 8.210 nan 0.000 0.413 292 A N 1.243 124.112 122.820 0.081 0.000 1.883 292 A HA -0.126 4.209 4.320 0.025 0.000 0.217 292 A C 1.731 179.350 177.584 0.058 0.000 1.186 292 A CA 0.933 53.010 52.037 0.066 0.000 0.624 292 A CB -0.833 18.190 19.000 0.039 0.000 0.822 292 A HN 0.309 nan 8.150 nan 0.000 0.444 296 K N 1.275 121.689 120.400 0.022 0.000 2.410 296 K HA 0.154 4.489 4.320 0.025 0.000 0.200 296 K C 0.832 177.440 176.600 0.014 0.000 1.023 296 K CA 0.643 56.932 56.287 0.003 0.000 1.149 296 K CB 0.834 33.337 32.500 0.004 0.000 0.859 296 K HN 0.386 nan 8.250 nan 0.000 0.514 297 G N 2.487 111.314 108.800 0.044 0.000 2.175 297 G HA2 -0.366 3.609 3.960 0.025 0.000 0.265 297 G HA3 -0.366 3.609 3.960 0.025 0.000 0.265 297 G C 1.027 175.908 174.900 -0.031 0.000 0.979 297 G CA 1.068 46.184 45.100 0.026 0.000 0.663 297 G HN 0.324 nan 8.290 nan 0.000 0.533 298 R N 0.284 120.751 120.500 -0.055 0.000 2.092 298 R HA 0.245 4.600 4.340 0.025 0.000 0.231 298 R C 1.130 177.225 176.300 -0.341 0.000 1.119 298 R CA 1.203 57.237 56.100 -0.110 0.000 0.970 298 R CB -0.118 30.149 30.300 -0.054 0.000 0.864 298 R HN 0.498 nan 8.270 nan 0.000 0.440 299 I N 1.287 121.647 120.570 -0.349 0.000 2.362 299 I HA 0.173 4.358 4.170 0.025 0.000 0.289 299 I C 0.515 176.499 176.117 -0.221 0.000 0.994 299 I CA -0.497 60.501 61.300 -0.503 0.000 1.158 299 I CB 2.130 39.871 38.000 -0.431 0.000 1.315 299 I HN 0.091 nan 8.210 nan 0.000 0.451 300 K N 4.743 125.054 120.400 -0.149 0.000 2.186 300 K HA 0.130 4.465 4.320 0.025 0.000 0.202 300 K C -0.250 176.391 176.600 0.068 0.000 1.052 300 K CA 1.080 57.349 56.287 -0.031 0.000 0.965 300 K CB 0.392 32.901 32.500 0.016 0.000 0.746 300 K HN 0.440 nan 8.250 nan 0.000 0.457 301 F N -0.966 118.923 119.950 -0.101 0.000 2.719 301 F HA 0.489 5.031 4.527 0.024 0.000 0.309 301 F C -2.151 173.631 175.800 -0.030 0.000 1.138 301 F CA -1.082 56.878 58.000 -0.068 0.000 0.943 301 F CB 1.269 40.246 39.000 -0.037 0.000 1.304 301 F HN -0.232 nan 8.300 nan 0.000 0.445 302 A N 3.065 125.282 122.820 -1.006 0.000 2.375 302 A HA 0.661 4.996 4.320 0.025 0.000 0.295 302 A C -1.443 175.713 177.584 -0.713 0.000 1.066 302 A CA -0.427 51.269 52.037 -0.569 0.000 0.722 302 A CB 1.463 20.268 19.000 -0.325 0.000 1.206 302 A HN 0.814 nan 8.150 nan 0.000 0.435 303 S N 1.485 117.036 115.700 -0.247 0.000 2.475 303 S HA 0.870 5.355 4.470 0.025 0.000 0.298 303 S C 0.264 174.714 174.600 -0.249 0.000 1.119 303 S CA 0.353 58.468 58.200 -0.142 0.000 1.085 303 S CB 1.172 64.436 63.200 0.107 0.000 1.028 303 S HN 1.926 nan 8.310 nan 0.000 0.489 304 G N 0.856 109.513 108.800 -0.238 0.000 2.619 304 G HA2 0.376 4.351 3.960 0.025 0.000 0.305 304 G HA3 0.376 4.351 3.960 0.025 0.000 0.305 304 G C -0.035 174.735 174.900 -0.216 0.000 1.330 304 G CA 0.042 45.007 45.100 -0.224 0.000 0.789 304 G HN 0.778 nan 8.290 nan 0.000 0.487 305 C N -0.087 119.062 119.300 -0.252 0.000 3.188 305 C HA 0.697 5.172 4.460 0.025 0.000 0.315 305 C C 0.932 175.834 174.990 -0.146 0.000 1.285 305 C CA 1.022 59.827 59.018 -0.355 0.000 1.729 305 C CB -1.108 26.050 27.740 -0.970 0.000 2.257 305 C HN 1.258 nan 8.230 nan 0.000 0.645 306 S N 0.047 115.740 115.700 -0.013 0.000 2.547 306 S HA 0.594 5.079 4.470 0.025 0.000 0.270 306 S C -1.378 173.254 174.600 0.053 0.000 1.150 306 S CA -0.520 57.743 58.200 0.104 0.000 0.850 306 S CB 1.273 64.647 63.200 0.290 0.000 1.118 306 S HN 0.220 nan 8.310 nan 0.000 0.461 307 L N 2.564 123.812 121.223 0.041 0.000 2.360 307 L HA 0.594 4.949 4.340 0.025 0.000 0.265 307 L C -0.415 176.463 176.870 0.013 0.000 1.066 307 L CA 0.100 54.941 54.840 0.001 0.000 0.929 307 L CB 0.780 42.827 42.059 -0.021 0.000 1.306 307 L HN 0.767 nan 8.230 nan 0.000 0.434 308 S N 4.137 119.847 115.700 0.017 0.000 3.170 308 S HA 0.462 4.947 4.470 0.025 0.000 0.257 308 S C -0.082 174.510 174.600 -0.014 0.000 1.284 308 S CA -0.458 57.750 58.200 0.013 0.000 0.973 308 S CB -0.081 63.134 63.200 0.025 0.000 1.330 308 S HN 0.493 nan 8.310 nan 0.000 0.493 309 V N 0.281 120.174 119.914 -0.035 0.000 3.019 309 V HA 0.817 4.952 4.120 0.025 0.000 0.317 309 V C 0.343 176.402 176.094 -0.058 0.000 1.094 309 V CA -1.229 61.036 62.300 -0.058 0.000 1.000 309 V CB 1.469 33.231 31.823 -0.102 0.000 1.060 309 V HN 0.572 nan 8.190 nan 0.000 0.443 310 S N 1.402 117.067 115.700 -0.058 0.000 2.589 310 S HA 0.258 4.743 4.470 0.025 0.000 0.265 310 S C 1.063 175.618 174.600 -0.075 0.000 1.342 310 S CA 0.326 58.496 58.200 -0.050 0.000 1.005 310 S CB 0.648 63.825 63.200 -0.039 0.000 0.909 310 S HN 1.036 nan 8.310 nan 0.000 0.555 311 R N 0.474 120.938 120.500 -0.059 0.000 2.091 311 R HA -0.129 4.226 4.340 0.025 0.000 0.238 311 R C 2.451 178.695 176.300 -0.093 0.000 1.136 311 R CA 1.780 57.836 56.100 -0.074 0.000 0.959 311 R CB -0.839 29.434 30.300 -0.045 0.000 0.856 311 R HN 0.771 nan 8.270 nan 0.000 0.437 312 S N -0.417 115.239 115.700 -0.072 0.000 2.368 312 S HA -0.094 4.391 4.470 0.025 0.000 0.225 312 S C 1.898 176.434 174.600 -0.106 0.000 1.030 312 S CA 1.499 59.656 58.200 -0.071 0.000 0.999 312 S CB -0.138 63.035 63.200 -0.046 0.000 0.844 312 S HN 0.257 nan 8.310 nan 0.000 0.459 313 V N 1.382 121.223 119.914 -0.122 0.000 2.358 313 V HA -0.062 4.073 4.120 0.025 0.000 0.246 313 V C 2.347 178.268 176.094 -0.288 0.000 1.047 313 V CA 1.644 63.842 62.300 -0.171 0.000 1.035 313 V CB -0.622 31.118 31.823 -0.139 0.000 0.658 313 V HN 0.526 nan 8.190 nan 0.000 0.452 314 I N -0.005 120.380 120.570 -0.308 0.000 2.394 314 I HA -0.229 3.956 4.170 0.025 0.000 0.251 314 I C 2.425 178.181 176.117 -0.601 0.000 1.136 314 I CA 1.658 62.646 61.300 -0.520 0.000 1.425 314 I CB -0.354 37.375 38.000 -0.452 0.000 1.079 314 I HN 0.357 nan 8.210 nan 0.000 0.425 315 Q N -0.546 119.064 119.800 -0.317 0.000 2.123 315 Q HA -0.220 4.135 4.340 0.025 0.000 0.199 315 Q C 1.791 177.712 176.000 -0.132 0.000 0.966 315 Q CA 1.642 57.343 55.803 -0.170 0.000 0.845 315 Q CB -0.230 28.457 28.738 -0.086 0.000 0.907 315 Q HN 0.538 nan 8.270 nan 0.000 0.439 316 D N 0.854 121.150 120.400 -0.173 0.000 2.144 316 D HA -0.116 4.539 4.640 0.025 0.000 0.200 316 D C 1.670 177.855 176.300 -0.192 0.000 0.978 316 D CA 0.898 54.825 54.000 -0.123 0.000 0.833 316 D CB -0.001 40.734 40.800 -0.108 0.000 0.961 316 D HN 0.166 nan 8.370 nan 0.000 0.470 317 I N -0.538 119.746 120.570 -0.477 0.000 2.163 317 I HA -0.273 3.912 4.170 0.025 0.000 0.240 317 I C 1.913 177.998 176.117 -0.054 0.000 1.081 317 I CA 0.964 61.866 61.300 -0.663 0.000 1.353 317 I CB -0.470 37.059 38.000 -0.785 0.000 1.054 317 I HN 0.134 nan 8.210 nan 0.000 0.407 318 Y N 0.411 120.647 120.300 -0.108 0.000 2.403 318 Y HA -0.167 4.399 4.550 0.025 0.000 0.291 318 Y C 2.461 178.368 175.900 0.012 0.000 1.143 318 Y CA 0.146 58.230 58.100 -0.027 0.000 1.257 318 Y CB -0.158 38.277 38.460 -0.042 0.000 0.984 318 Y HN 0.210 nan 8.280 nan 0.000 0.550 319 A N -0.569 122.350 122.820 0.165 0.000 2.238 319 A HA 0.046 4.381 4.320 0.025 0.000 0.210 319 A C 0.669 178.346 177.584 0.154 0.000 1.179 319 A CA 0.263 52.375 52.037 0.125 0.000 0.827 319 A CB 0.012 19.059 19.000 0.078 0.000 0.856 319 A HN 0.288 nan 8.150 nan 0.000 0.488 320 N N 0.212 119.052 118.700 0.233 0.000 2.646 320 N HA 0.171 4.926 4.740 0.025 0.000 0.303 320 N C -0.194 175.585 175.510 0.448 0.000 1.921 320 N CA -0.214 53.037 53.050 0.335 0.000 0.872 320 N CB 1.084 39.842 38.487 0.451 0.000 1.327 320 N HN 0.084 nan 8.380 nan 0.000 0.492 321 L N 1.315 122.717 121.223 0.299 0.000 2.353 321 L HA -0.118 4.237 4.340 0.025 0.000 0.220 321 L C 2.066 179.065 176.870 0.216 0.000 1.133 321 L CA 1.528 56.528 54.840 0.266 0.000 0.798 321 L CB -0.357 41.803 42.059 0.169 0.000 0.922 321 L HN 0.325 nan 8.230 nan 0.000 0.445 322 D N -1.595 118.923 120.400 0.197 0.000 2.182 322 D HA -0.299 4.356 4.640 0.025 0.000 0.201 322 D C 2.063 178.454 176.300 0.151 0.000 0.986 322 D CA 1.354 55.441 54.000 0.146 0.000 0.847 322 D CB -0.370 40.508 40.800 0.131 0.000 0.942 322 D HN 0.403 nan 8.370 nan 0.000 0.467 323 F N -0.113 119.836 119.950 -0.001 0.000 2.453 323 F HA 0.176 4.718 4.527 0.024 0.000 0.284 323 F C 1.779 177.419 175.800 -0.268 0.000 1.065 323 F CA 0.070 57.953 58.000 -0.196 0.000 1.411 323 F CB 0.019 38.786 39.000 -0.389 0.000 1.131 323 F HN -0.276 nan 8.300 nan 0.000 0.582 324 F N 0.730 120.699 119.950 0.031 0.000 2.335 324 F HA 0.107 4.649 4.527 0.024 0.000 0.296 324 F C 2.329 178.079 175.800 -0.084 0.000 1.091 324 F CA 0.883 58.836 58.000 -0.078 0.000 1.399 324 F CB -0.792 38.243 39.000 0.059 0.000 1.067 324 F HN -0.195 nan 8.300 nan 0.000 0.520 325 K N 0.806 121.299 120.400 0.155 0.000 2.077 325 K HA -0.244 4.091 4.320 0.025 0.000 0.213 325 K C 1.310 177.939 176.600 0.048 0.000 1.051 325 K CA 2.142 58.483 56.287 0.089 0.000 0.929 325 K CB -0.335 32.215 32.500 0.084 0.000 0.715 325 K HN 0.364 nan 8.250 nan 0.000 0.451 326 D N -1.060 119.349 120.400 0.015 0.000 2.328 326 D HA -0.045 4.610 4.640 0.025 0.000 0.221 326 D C 0.601 176.968 176.300 0.113 0.000 1.072 326 D CA 0.379 54.407 54.000 0.047 0.000 0.850 326 D CB 0.380 41.180 40.800 0.001 0.000 0.922 326 D HN 0.255 nan 8.370 nan 0.000 0.516 327 K N -0.078 120.330 120.400 0.013 0.000 2.412 327 K HA 0.313 4.648 4.320 0.025 0.000 0.202 327 K C 0.420 176.770 176.600 -0.416 0.000 1.102 327 K CA 0.011 56.282 56.287 -0.026 0.000 1.027 327 K CB 1.620 33.962 32.500 -0.263 0.000 0.931 327 K HN 0.081 nan 8.250 nan 0.000 0.557 328 I N 1.693 122.095 120.570 -0.279 0.000 2.509 328 I HA 0.327 4.512 4.170 0.025 0.000 0.293 328 I C -1.391 174.575 176.117 -0.252 0.000 1.020 328 I CA -1.242 59.827 61.300 -0.385 0.000 1.088 328 I CB 1.991 39.897 38.000 -0.158 0.000 1.267 328 I HN -0.153 nan 8.210 nan 0.000 0.430 329 L N 7.267 128.317 121.223 -0.288 0.000 2.476 329 L HA 0.534 4.889 4.340 0.025 0.000 0.269 329 L C -1.399 175.418 176.870 -0.089 0.000 0.965 329 L CA -0.132 54.676 54.840 -0.054 0.000 0.845 329 L CB 1.693 43.901 42.059 0.248 0.000 1.259 329 L HN 0.424 nan 8.230 nan 0.000 0.403 330 L N 5.307 126.478 121.223 -0.088 0.000 2.295 330 L HA 0.647 5.002 4.340 0.025 0.000 0.285 330 L C -0.102 176.761 176.870 -0.013 0.000 1.035 330 L CA -0.630 54.175 54.840 -0.058 0.000 0.806 330 L CB 1.424 43.472 42.059 -0.018 0.000 1.214 330 L HN 0.629 nan 8.230 nan 0.000 0.426 331 R N 2.643 123.111 120.500 -0.053 0.000 2.888 331 R HA 0.570 4.925 4.340 0.025 0.000 0.266 331 R C -2.677 173.594 176.300 -0.047 0.000 1.020 331 R CA -2.054 54.020 56.100 -0.043 0.000 0.963 331 R CB 1.357 31.638 30.300 -0.032 0.000 1.197 331 R HN 0.284 nan 8.270 nan 0.000 0.481 332 P HA -0.033 nan 4.420 nan 0.000 0.272 332 P C -0.056 177.237 177.300 -0.011 0.000 1.223 332 P CA -0.234 62.882 63.100 0.026 0.000 0.784 332 P CB 0.632 32.406 31.700 0.124 0.000 0.923 333 Q N 1.785 121.517 119.800 -0.113 0.000 2.368 333 Q HA -0.254 4.101 4.340 0.025 0.000 0.210 333 Q C 1.559 177.518 176.000 -0.068 0.000 0.982 333 Q CA 1.538 57.241 55.803 -0.168 0.000 0.884 333 Q CB -0.595 28.046 28.738 -0.161 0.000 0.933 333 Q HN 0.549 nan 8.270 nan 0.000 0.460 334 E N 0.077 120.259 120.200 -0.030 0.000 2.204 334 E HA -0.194 4.171 4.350 0.025 0.000 0.195 334 E C 0.762 177.206 176.600 -0.261 0.000 0.990 334 E CA 1.136 57.453 56.400 -0.138 0.000 0.821 334 E CB 0.018 29.622 29.700 -0.160 0.000 0.750 334 E HN 0.587 nan 8.360 nan 0.000 0.477 335 Y N -0.364 119.904 120.300 -0.053 0.000 2.464 335 Y HA 0.050 4.615 4.550 0.025 0.000 0.288 335 Y C 2.747 178.655 175.900 0.012 0.000 1.133 335 Y CA 0.745 58.838 58.100 -0.012 0.000 1.223 335 Y CB -0.094 38.365 38.460 -0.001 0.000 1.187 335 Y HN 0.136 nan 8.280 nan 0.000 0.539 336 S N 0.229 115.968 115.700 0.065 0.000 2.419 336 S HA -0.159 4.326 4.470 0.025 0.000 0.233 336 S C 0.976 175.569 174.600 -0.011 0.000 1.016 336 S CA 1.749 59.883 58.200 -0.110 0.000 0.974 336 S CB -0.440 62.631 63.200 -0.216 0.000 0.786 336 S HN 0.374 nan 8.310 nan 0.000 0.492 337 N N 1.497 120.148 118.700 -0.082 0.000 2.234 337 N HA 0.245 5.000 4.740 0.025 0.000 0.227 337 N C -0.619 174.703 175.510 -0.314 0.000 1.151 337 N CA -0.207 52.637 53.050 -0.343 0.000 0.865 337 N CB -0.058 38.280 38.487 -0.248 0.000 1.066 337 N HN 0.381 nan 8.380 nan 0.000 0.515 338 N N 1.772 120.392 118.700 -0.133 0.000 2.468 338 N HA 0.054 4.809 4.740 0.025 0.000 0.265 338 N C -1.675 173.753 175.510 -0.136 0.000 1.199 338 N CA -1.165 51.801 53.050 -0.140 0.000 0.928 338 N CB 1.502 39.911 38.487 -0.130 0.000 1.059 338 N HN -0.032 nan 8.380 nan 0.000 0.467 339 P HA -0.167 nan 4.420 nan 0.000 0.216 339 P C 1.038 178.292 177.300 -0.076 0.000 1.153 339 P CA 1.219 64.252 63.100 -0.112 0.000 0.858 339 P CB 0.289 31.931 31.700 -0.096 0.000 0.789 340 E N -0.500 119.655 120.200 -0.076 0.000 2.058 340 E HA -0.194 4.171 4.350 0.025 0.000 0.194 340 E C 1.758 178.314 176.600 -0.074 0.000 0.997 340 E CA 1.338 57.700 56.400 -0.063 0.000 0.801 340 E CB -0.308 29.352 29.700 -0.067 0.000 0.746 340 E HN -0.008 nan 8.360 nan 0.000 0.450 341 I N 0.892 121.411 120.570 -0.086 0.000 2.202 341 I HA -0.197 3.988 4.170 0.025 0.000 0.242 341 I C 2.601 178.622 176.117 -0.161 0.000 1.091 341 I CA 0.698 61.915 61.300 -0.138 0.000 1.368 341 I CB -1.503 36.440 38.000 -0.096 0.000 1.058 341 I HN 0.081 nan 8.210 nan 0.000 0.410 342 V N 1.273 121.143 119.914 -0.074 0.000 2.252 342 V HA -0.309 3.826 4.120 0.025 0.000 0.249 342 V C 2.830 178.925 176.094 0.002 0.000 1.056 342 V CA 2.388 64.686 62.300 -0.004 0.000 1.022 342 V CB -0.855 30.977 31.823 0.016 0.000 0.641 342 V HN 0.381 nan 8.190 nan 0.000 0.445 343 R N -0.194 120.303 120.500 -0.005 0.000 2.092 343 R HA -0.145 4.210 4.340 0.025 0.000 0.231 343 R C 2.537 178.850 176.300 0.022 0.000 1.119 343 R CA 1.578 57.690 56.100 0.019 0.000 0.970 343 R CB -0.284 30.018 30.300 0.005 0.000 0.864 343 R HN 0.454 nan 8.270 nan 0.000 0.440 344 R N 0.488 120.980 120.500 -0.012 0.000 2.073 344 R HA -0.089 4.266 4.340 0.025 0.000 0.234 344 R C 2.007 178.308 176.300 0.001 0.000 1.134 344 R CA 1.612 57.712 56.100 -0.000 0.000 0.952 344 R CB -0.274 30.011 30.300 -0.024 0.000 0.850 344 R HN 0.289 nan 8.270 nan 0.000 0.433 345 L N -0.123 121.063 121.223 -0.062 0.000 2.376 345 L HA 0.117 4.472 4.340 0.025 0.000 0.219 345 L C 1.097 177.950 176.870 -0.028 0.000 1.133 345 L CA 0.659 55.450 54.840 -0.082 0.000 0.816 345 L CB -0.309 41.621 42.059 -0.215 0.000 0.933 345 L HN 0.628 nan 8.230 nan 0.000 0.449 346 G N 1.004 109.836 108.800 0.054 0.000 2.272 346 G HA2 -0.234 3.741 3.960 0.025 0.000 0.280 346 G HA3 -0.234 3.741 3.960 0.025 0.000 0.280 346 G C 0.094 175.019 174.900 0.042 0.000 1.067 346 G CA 0.004 45.211 45.100 0.178 0.000 0.902 346 G HN 0.096 nan 8.290 nan 0.000 0.500 347 V N 0.895 120.840 119.914 0.052 0.000 2.540 347 V HA 0.195 4.329 4.120 0.025 0.000 0.297 347 V C 1.371 177.500 176.094 0.058 0.000 1.024 347 V CA 0.217 62.546 62.300 0.048 0.000 1.105 347 V CB 0.961 32.890 31.823 0.177 0.000 0.938 347 V HN 0.384 nan 8.190 nan 0.000 0.482 348 I N 5.257 125.794 120.570 -0.055 0.000 2.325 348 I HA 0.269 4.454 4.170 0.025 0.000 0.291 348 I C 0.667 176.758 176.117 -0.043 0.000 1.019 348 I CA 0.021 61.293 61.300 -0.046 0.000 1.302 348 I CB 1.359 39.252 38.000 -0.177 0.000 1.401 348 I HN 0.770 nan 8.210 nan 0.000 0.485 349 T N 4.959 119.505 114.554 -0.013 0.000 2.824 349 T HA 0.747 5.112 4.350 0.025 0.000 0.280 349 T C -0.489 174.115 174.700 -0.160 0.000 0.995 349 T CA -0.661 61.386 62.100 -0.089 0.000 1.009 349 T CB 1.431 70.289 68.868 -0.017 0.000 0.955 349 T HN 0.343 nan 8.240 nan 0.000 0.452 350 I N 3.262 123.707 120.570 -0.208 0.000 2.468 350 I HA 0.434 4.619 4.170 0.025 0.000 0.284 350 I C -0.356 175.605 176.117 -0.259 0.000 1.038 350 I CA -0.821 60.350 61.300 -0.215 0.000 1.083 350 I CB 1.410 39.342 38.000 -0.113 0.000 1.223 350 I HN 0.629 nan 8.210 nan 0.000 0.443 351 N N 2.845 121.306 118.700 -0.398 0.000 2.469 351 N HA 0.523 5.278 4.740 0.025 0.000 0.286 351 N C -0.570 174.901 175.510 -0.065 0.000 1.275 351 N CA -0.505 52.381 53.050 -0.274 0.000 0.790 351 N CB 2.644 40.906 38.487 -0.375 0.000 1.446 351 N HN 0.595 nan 8.380 nan 0.000 0.501 352 T N -1.993 112.623 114.554 0.103 0.000 2.881 352 T HA 0.785 5.150 4.350 0.025 0.000 0.278 352 T C -0.328 174.551 174.700 0.298 0.000 0.982 352 T CA -0.680 61.526 62.100 0.176 0.000 0.989 352 T CB 1.412 70.341 68.868 0.101 0.000 1.058 352 T HN 0.518 nan 8.240 nan 0.000 0.529 353 A N 1.674 124.598 122.820 0.172 0.000 2.374 353 A HA 0.641 4.976 4.320 0.025 0.000 0.305 353 A C 0.991 178.578 177.584 0.004 0.000 1.053 353 A CA -0.953 51.127 52.037 0.072 0.000 0.726 353 A CB 0.977 19.951 19.000 -0.043 0.000 1.229 353 A HN 0.902 nan 8.150 nan 0.000 0.431 354 L N 0.591 121.823 121.223 0.015 0.000 2.056 354 L HA 0.023 4.378 4.340 0.025 0.000 0.207 354 L C 1.178 178.009 176.870 -0.065 0.000 1.078 354 L CA 1.796 56.635 54.840 -0.003 0.000 0.749 354 L CB -0.097 41.980 42.059 0.031 0.000 0.901 354 L HN 0.942 nan 8.230 nan 0.000 0.433 355 E N -1.328 118.815 120.200 -0.095 0.000 2.423 355 E HA 0.682 5.047 4.350 0.025 0.000 0.280 355 E C -1.530 174.937 176.600 -0.222 0.000 1.030 355 E CA -0.891 55.402 56.400 -0.178 0.000 0.812 355 E CB 2.214 31.874 29.700 -0.067 0.000 1.313 355 E HN -0.067 nan 8.360 nan 0.000 0.456 356 A N 1.252 123.884 122.820 -0.313 0.000 2.572 356 A HA 0.647 4.982 4.320 0.025 0.000 0.295 356 A C -1.720 175.808 177.584 -0.093 0.000 1.072 356 A CA -0.511 51.395 52.037 -0.219 0.000 0.691 356 A CB 1.638 20.499 19.000 -0.231 0.000 1.291 356 A HN 0.793 nan 8.150 nan 0.000 0.404 357 D N -0.518 119.859 120.400 -0.038 0.000 2.392 357 D HA 0.429 5.084 4.640 0.025 0.000 0.246 357 D C 1.041 177.306 176.300 -0.059 0.000 1.013 357 D CA -0.405 53.574 54.000 -0.035 0.000 0.993 357 D CB 0.414 41.200 40.800 -0.025 0.000 1.219 357 D HN 0.612 nan 8.370 nan 0.000 0.538 358 I N -3.109 117.303 120.570 -0.264 0.000 3.010 358 I HA -0.022 4.163 4.170 0.025 0.000 0.271 358 I C 0.290 176.023 176.117 -0.639 0.000 1.293 358 I CA 0.800 61.811 61.300 -0.482 0.000 1.452 358 I CB -0.723 36.865 38.000 -0.686 0.000 1.082 358 I HN 0.130 nan 8.210 nan 0.000 0.484 359 F N 1.667 121.607 119.950 -0.016 0.000 2.653 359 F HA 0.467 5.010 4.527 0.028 0.000 0.304 359 F C 1.776 177.565 175.800 -0.019 0.000 1.092 359 F CA 0.303 58.292 58.000 -0.019 0.000 1.279 359 F CB 0.755 39.744 39.000 -0.017 0.000 1.044 359 F HN 0.238 nan 8.300 nan 0.000 0.564 360 G N 0.514 109.361 108.800 0.079 0.000 2.141 360 G HA2 -0.254 3.721 3.960 0.025 0.000 0.242 360 G HA3 -0.254 3.721 3.960 0.025 0.000 0.242 360 G C -0.155 174.759 174.900 0.022 0.000 0.982 360 G CA -0.508 44.625 45.100 0.056 0.000 0.662 360 G HN 0.305 nan 8.290 nan 0.000 0.527 361 N N -0.085 118.624 118.700 0.016 0.000 2.498 361 N HA 0.612 5.367 4.740 0.025 0.000 0.287 361 N C -0.539 174.882 175.510 -0.148 0.000 1.097 361 N CA 0.022 53.048 53.050 -0.041 0.000 0.973 361 N CB 1.553 40.019 38.487 -0.035 0.000 1.153 361 N HN 0.122 nan 8.380 nan 0.000 0.472 362 I N 1.729 122.191 120.570 -0.180 0.000 2.474 362 I HA 0.194 4.379 4.170 0.025 0.000 0.294 362 I C 0.007 176.064 176.117 -0.100 0.000 1.005 362 I CA -0.671 60.485 61.300 -0.240 0.000 1.113 362 I CB 1.499 39.124 38.000 -0.625 0.000 1.289 362 I HN 0.386 nan 8.210 nan 0.000 0.436 363 N N 3.027 121.684 118.700 -0.072 0.000 2.417 363 N HA 0.369 5.124 4.740 0.025 0.000 0.274 363 N C -0.373 175.201 175.510 0.107 0.000 0.987 363 N CA -0.371 52.705 53.050 0.044 0.000 0.912 363 N CB 1.277 39.788 38.487 0.041 0.000 1.177 363 N HN 0.520 nan 8.380 nan 0.000 0.490 364 S N 0.657 116.484 115.700 0.212 0.000 2.846 364 S HA 0.139 4.624 4.470 0.025 0.000 0.249 364 S C 0.727 175.460 174.600 0.223 0.000 1.028 364 S CA 0.159 58.498 58.200 0.231 0.000 1.043 364 S CB -0.223 63.193 63.200 0.360 0.000 0.990 364 S HN 0.657 nan 8.310 nan 0.000 0.564 365 T N -2.288 112.403 114.554 0.229 0.000 3.336 365 T HA 0.291 4.656 4.350 0.025 0.000 0.273 365 T C -0.272 174.430 174.700 0.003 0.000 0.932 365 T CA 0.084 62.279 62.100 0.158 0.000 0.995 365 T CB -0.155 68.870 68.868 0.262 0.000 1.213 365 T HN 0.345 nan 8.240 nan 0.000 0.502 366 H N 1.317 120.312 119.070 -0.125 0.000 2.519 366 H HA 0.698 5.269 4.556 0.025 0.000 0.316 366 H C -0.578 174.698 175.328 -0.087 0.000 1.065 366 H CA -0.743 55.193 56.048 -0.186 0.000 1.264 366 H CB 1.396 30.918 29.762 -0.399 0.000 1.413 366 H HN 0.102 nan 8.280 nan 0.000 0.465 367 V N 3.124 123.031 119.914 -0.012 0.000 2.508 367 V HA 0.034 4.169 4.120 0.025 0.000 0.281 367 V C 0.735 176.828 176.094 -0.000 0.000 1.041 367 V CA 0.104 62.403 62.300 -0.001 0.000 1.016 367 V CB 0.969 32.777 31.823 -0.026 0.000 0.984 367 V HN 1.118 nan 8.190 nan 0.000 0.478 368 S N 3.929 119.634 115.700 0.010 0.000 3.445 368 S HA -0.248 4.237 4.470 0.025 0.000 0.319 368 S C 1.493 175.999 174.600 -0.158 0.000 1.209 368 S CA 1.431 59.598 58.200 -0.054 0.000 0.934 368 S CB -1.423 61.770 63.200 -0.013 0.000 0.999 368 S HN 2.137 nan 8.310 nan 0.000 0.582 369 G N -0.691 108.052 108.800 -0.095 0.000 2.189 369 G HA2 -0.407 3.568 3.960 0.025 0.000 0.267 369 G HA3 -0.407 3.568 3.960 0.025 0.000 0.267 369 G C 0.700 175.596 174.900 -0.007 0.000 0.975 369 G CA 1.662 46.716 45.100 -0.077 0.000 0.644 369 G HN 1.536 nan 8.290 nan 0.000 0.537 370 T N -3.829 110.749 114.554 0.040 0.000 3.115 370 T HA 0.416 4.781 4.350 0.025 0.000 0.256 370 T C 1.281 176.013 174.700 0.053 0.000 0.970 370 T CA 0.493 62.641 62.100 0.080 0.000 1.010 370 T CB 0.606 69.476 68.868 0.003 0.000 1.151 370 T HN 0.440 nan 8.240 nan 0.000 0.479 375 G N 0.478 109.184 108.800 -0.157 0.000 2.340 375 G HA2 0.222 4.197 3.960 0.025 0.000 0.300 375 G HA3 0.222 4.197 3.960 0.025 0.000 0.300 375 G C -0.300 174.821 174.900 0.369 0.000 1.488 375 G CA -0.672 44.512 45.100 0.140 0.000 0.878 375 G HN 0.209 nan 8.290 nan 0.000 0.618 376 I N 0.711 121.472 120.570 0.319 0.000 2.423 376 I HA 0.130 4.315 4.170 0.025 0.000 0.254 376 I C 1.915 178.273 176.117 0.401 0.000 1.151 376 I CA 2.561 64.056 61.300 0.325 0.000 1.421 376 I CB -0.286 37.828 38.000 0.189 0.000 1.079 376 I HN 1.751 nan 8.210 nan 0.000 0.431 377 G N 0.147 109.212 108.800 0.441 0.000 2.574 377 G HA2 -0.367 3.608 3.960 0.025 0.000 0.286 377 G HA3 -0.367 3.608 3.960 0.025 0.000 0.286 377 G C 0.686 175.756 174.900 0.284 0.000 1.212 377 G CA 0.035 45.292 45.100 0.262 0.000 0.979 377 G HN 0.597 nan 8.290 nan 0.000 0.557 378 G N -0.326 108.648 108.800 0.289 0.000 3.393 378 G HA2 0.458 4.433 3.960 0.025 0.000 0.255 378 G HA3 0.458 4.433 3.960 0.025 0.000 0.255 378 G C 1.707 176.911 174.900 0.507 0.000 1.097 378 G CA 1.352 46.684 45.100 0.386 0.000 0.780 378 G HN 1.763 nan 8.290 nan 0.000 0.540 379 S N -0.055 115.923 115.700 0.462 0.000 2.399 379 S HA -0.015 4.470 4.470 0.025 0.000 0.231 379 S C 2.332 177.266 174.600 0.558 0.000 1.022 379 S CA 1.409 59.890 58.200 0.469 0.000 0.983 379 S CB -0.348 63.150 63.200 0.495 0.000 0.803 379 S HN 0.295 nan 8.310 nan 0.000 0.480 380 G N 1.843 111.009 108.800 0.610 0.000 2.395 380 G HA2 -0.103 3.872 3.960 0.025 0.000 0.214 380 G HA3 -0.103 3.872 3.960 0.025 0.000 0.214 380 G C 1.175 176.173 174.900 0.164 0.000 1.177 380 G CA 0.781 46.165 45.100 0.473 0.000 0.794 380 G HN 0.470 nan 8.290 nan 0.000 0.532 381 D N 0.551 120.993 120.400 0.069 0.000 2.133 381 D HA -0.115 4.540 4.640 0.025 0.000 0.195 381 D C 2.139 178.325 176.300 -0.189 0.000 0.997 381 D CA 0.951 54.857 54.000 -0.156 0.000 0.840 381 D CB -0.214 40.422 40.800 -0.273 0.000 0.947 381 D HN 0.333 nan 8.370 nan 0.000 0.452 382 F N 1.232 121.235 119.950 0.090 0.000 2.059 382 F HA -0.083 4.459 4.527 0.025 0.000 0.289 382 F C 2.816 178.649 175.800 0.055 0.000 1.128 382 F CA 0.903 58.941 58.000 0.064 0.000 1.181 382 F CB -1.148 37.877 39.000 0.042 0.000 1.012 382 F HN -0.161 nan 8.300 nan 0.000 0.473 383 T N 0.292 115.003 114.554 0.262 0.000 2.620 383 T HA -0.350 4.015 4.350 0.025 0.000 0.267 383 T C 2.015 176.827 174.700 0.187 0.000 1.044 383 T CA 2.235 64.439 62.100 0.174 0.000 1.161 383 T CB -0.448 68.563 68.868 0.239 0.000 0.862 383 T HN -0.005 nan 8.240 nan 0.000 0.438 384 R N 1.822 122.435 120.500 0.189 0.000 2.103 384 R HA -0.051 4.304 4.340 0.025 0.000 0.242 384 R C 1.445 177.797 176.300 0.086 0.000 1.142 384 R CA 2.024 58.204 56.100 0.134 0.000 0.960 384 R CB -0.611 29.736 30.300 0.080 0.000 0.858 384 R HN 0.543 nan 8.270 nan 0.000 0.439 385 N N -0.532 118.208 118.700 0.067 0.000 2.205 385 N HA 0.058 4.813 4.740 0.025 0.000 0.201 385 N C -0.576 174.981 175.510 0.078 0.000 1.128 385 N CA 0.314 53.393 53.050 0.047 0.000 0.867 385 N CB 0.655 39.144 38.487 0.003 0.000 0.996 385 N HN 0.225 nan 8.380 nan 0.000 0.503 386 S N -0.594 115.177 115.700 0.118 0.000 2.584 386 S HA -0.026 4.459 4.470 0.025 0.000 0.270 386 S C 0.965 175.652 174.600 0.145 0.000 1.346 386 S CA -0.582 57.706 58.200 0.147 0.000 1.018 386 S CB 0.615 63.904 63.200 0.149 0.000 0.899 386 S HN 0.260 nan 8.310 nan 0.000 0.542 387 Y N 2.280 122.599 120.300 0.031 0.000 2.128 387 Y HA 0.049 4.613 4.550 0.023 0.000 0.284 387 Y C 0.490 176.416 175.900 0.043 0.000 1.154 387 Y CA 1.637 59.749 58.100 0.022 0.000 1.149 387 Y CB 0.124 38.579 38.460 -0.008 0.000 0.976 387 Y HN 0.512 nan 8.280 nan 0.000 0.505 388 V N 0.500 120.562 119.914 0.247 0.000 2.655 388 V HA 0.245 4.380 4.120 0.025 0.000 0.301 388 V C -0.811 175.371 176.094 0.146 0.000 1.082 388 V CA -0.718 61.698 62.300 0.193 0.000 0.899 388 V CB 1.498 33.480 31.823 0.265 0.000 1.014 388 V HN 0.163 nan 8.190 nan 0.000 0.429 389 S N 5.290 121.061 115.700 0.119 0.000 2.480 389 S HA 0.856 5.341 4.470 0.025 0.000 0.286 389 S C -0.674 173.940 174.600 0.024 0.000 1.180 389 S CA -0.551 57.676 58.200 0.046 0.000 1.075 389 S CB 1.127 64.375 63.200 0.080 0.000 0.996 389 S HN 0.556 nan 8.310 nan 0.000 0.487 390 I N 2.478 122.978 120.570 -0.117 0.000 2.509 390 I HA 0.516 4.701 4.170 0.025 0.000 0.293 390 I C -1.227 174.699 176.117 -0.319 0.000 1.020 390 I CA -0.775 60.470 61.300 -0.092 0.000 1.088 390 I CB 1.725 39.715 38.000 -0.017 0.000 1.267 390 I HN 0.565 nan 8.210 nan 0.000 0.430 391 F N 2.793 122.742 119.950 -0.002 0.000 2.518 391 F HA 0.480 5.021 4.527 0.023 0.000 0.323 391 F C 0.409 176.213 175.800 0.006 0.000 1.129 391 F CA -0.520 57.474 58.000 -0.010 0.000 0.920 391 F CB 2.314 41.303 39.000 -0.017 0.000 1.160 391 F HN 0.382 nan 8.300 nan 0.000 0.440 392 T N -0.748 113.903 114.554 0.162 0.000 2.940 392 T HA 0.831 5.196 4.350 0.025 0.000 0.288 392 T C -0.487 174.272 174.700 0.099 0.000 1.033 392 T CA -0.803 61.361 62.100 0.107 0.000 1.033 392 T CB 2.009 70.906 68.868 0.049 0.000 1.079 392 T HN 0.728 nan 8.240 nan 0.000 0.496 393 T N 1.977 116.576 114.554 0.075 0.000 3.610 393 T HA 0.374 4.739 4.350 0.025 0.000 0.419 393 T C -3.270 171.461 174.700 0.051 0.000 1.582 393 T CA -0.944 61.173 62.100 0.028 0.000 1.146 393 T CB 1.376 70.206 68.868 -0.064 0.000 1.460 393 T HN 0.613 nan 8.240 nan 0.000 0.465 394 P HA 0.148 nan 4.420 nan 0.000 0.269 394 P C 1.092 178.468 177.300 0.125 0.000 1.209 394 P CA 0.001 63.132 63.100 0.051 0.000 0.776 394 P CB 0.828 32.541 31.700 0.023 0.000 0.876 395 S N 1.995 117.847 115.700 0.252 0.000 2.382 395 S HA -0.040 4.445 4.470 0.025 0.000 0.228 395 S C 1.075 175.869 174.600 0.324 0.000 1.027 395 S CA 1.336 59.822 58.200 0.478 0.000 0.991 395 S CB -0.983 62.654 63.200 0.728 0.000 0.823 395 S HN 0.517 nan 8.310 nan 0.000 0.469 399 D N 0.838 121.253 120.400 0.025 0.000 2.792 399 D HA -0.227 4.428 4.640 0.025 0.000 0.231 399 D C 0.899 177.213 176.300 0.024 0.000 1.160 399 D CA 2.152 56.169 54.000 0.028 0.000 0.697 399 D CB -0.794 40.018 40.800 0.021 0.000 1.070 399 D HN 0.856 nan 8.370 nan 0.000 0.426 400 G N -0.346 108.470 108.800 0.027 0.000 2.199 400 G HA2 -0.415 3.559 3.960 0.025 0.000 0.254 400 G HA3 -0.415 3.559 3.960 0.025 0.000 0.254 400 G C 1.069 176.013 174.900 0.072 0.000 0.982 400 G CA 0.718 45.827 45.100 0.015 0.000 0.632 400 G HN 0.482 nan 8.290 nan 0.000 0.529 401 K N -0.327 120.099 120.400 0.043 0.000 2.362 401 K HA 0.258 4.593 4.320 0.025 0.000 0.200 401 K C 0.877 177.509 176.600 0.054 0.000 1.046 401 K CA 0.688 57.002 56.287 0.045 0.000 0.952 401 K CB 0.252 32.757 32.500 0.007 0.000 0.753 401 K HN 0.493 nan 8.250 nan 0.000 0.466 402 I N 0.412 120.994 120.570 0.020 0.000 2.436 402 I HA 0.070 4.255 4.170 0.025 0.000 0.289 402 I C -0.439 175.574 176.117 -0.174 0.000 1.010 402 I CA -0.708 60.550 61.300 -0.070 0.000 1.098 402 I CB 2.061 40.032 38.000 -0.049 0.000 1.266 402 I HN -0.142 nan 8.210 nan 0.000 0.434 403 S N 3.116 118.562 115.700 -0.423 0.000 2.480 403 S HA 0.262 4.747 4.470 0.025 0.000 0.286 403 S C 0.905 175.364 174.600 -0.236 0.000 1.180 403 S CA -0.477 57.386 58.200 -0.562 0.000 1.075 403 S CB 1.389 63.861 63.200 -1.213 0.000 0.996 403 S HN 0.627 nan 8.310 nan 0.000 0.487 404 S N 3.564 119.173 115.700 -0.153 0.000 2.481 404 S HA 0.178 4.663 4.470 0.025 0.000 0.231 404 S C -0.237 174.066 174.600 -0.495 0.000 0.996 404 S CA 0.542 58.566 58.200 -0.292 0.000 0.942 404 S CB -0.248 62.741 63.200 -0.351 0.000 0.768 404 S HN 0.683 nan 8.310 nan 0.000 0.520 405 F N 1.507 121.404 119.950 -0.088 0.000 2.427 405 F HA 0.560 5.105 4.527 0.030 0.000 0.346 405 F C 0.125 175.817 175.800 -0.181 0.000 1.120 405 F CA -1.033 56.904 58.000 -0.104 0.000 1.033 405 F CB 1.385 40.347 39.000 -0.063 0.000 1.126 405 F HN -0.162 nan 8.300 nan 0.000 0.462 406 V N 1.120 120.969 119.914 -0.108 0.000 3.141 406 V HA 0.737 4.871 4.120 0.025 0.000 0.312 406 V C -2.881 172.959 176.094 -0.423 0.000 1.157 406 V CA -3.050 59.028 62.300 -0.370 0.000 1.041 406 V CB 1.872 33.569 31.823 -0.211 0.000 1.071 406 V HN 0.384 nan 8.190 nan 0.000 0.441 410 A N 1.888 124.699 122.820 -0.014 0.000 2.216 410 A HA 0.200 4.535 4.320 0.025 0.000 0.214 410 A C 0.712 178.279 177.584 -0.028 0.000 1.160 410 A CA 2.038 53.898 52.037 -0.295 0.000 0.725 410 A CB -0.624 17.957 19.000 -0.697 0.000 0.784 410 A HN 1.933 nan 8.150 nan 0.000 0.472 411 H N -0.962 118.074 119.070 -0.056 0.000 3.128 411 H HA 0.337 4.908 4.556 0.025 0.000 0.336 411 H C -1.203 174.120 175.328 -0.010 0.000 1.026 411 H CA -0.669 55.360 56.048 -0.032 0.000 1.376 411 H CB 0.453 30.142 29.762 -0.121 0.000 1.882 411 H HN 0.350 nan 8.280 nan 0.000 0.479 412 H N 4.772 123.563 119.070 -0.464 0.000 2.594 412 H HA 0.133 4.704 4.556 0.025 0.000 0.304 412 H C -0.156 174.949 175.328 -0.370 0.000 1.068 412 H CA -0.246 55.627 56.048 -0.292 0.000 1.308 412 H CB 1.329 30.985 29.762 -0.176 0.000 1.409 412 H HN 0.734 nan 8.280 nan 0.000 0.460 413 D N 1.707 122.015 120.400 -0.153 0.000 2.431 413 D HA 0.022 4.677 4.640 0.025 0.000 0.227 413 D C -0.101 175.865 176.300 -0.557 0.000 1.030 413 D CA 0.765 54.596 54.000 -0.281 0.000 0.897 413 D CB 0.863 41.559 40.800 -0.175 0.000 1.058 413 D HN 0.612 nan 8.370 nan 0.000 0.500 414 H N -0.674 118.416 119.070 0.034 0.000 2.667 414 H HA 0.401 4.972 4.556 0.026 0.000 0.353 414 H C -0.229 175.123 175.328 0.040 0.000 1.072 414 H CA -0.762 55.321 56.048 0.058 0.000 1.214 414 H CB 1.794 31.560 29.762 0.008 0.000 1.600 414 H HN -0.194 nan 8.280 nan 0.000 0.527 415 S N 1.109 116.920 115.700 0.185 0.000 2.713 415 S HA 0.092 4.577 4.470 0.025 0.000 0.283 415 S C 1.277 175.920 174.600 0.072 0.000 1.161 415 S CA -0.488 57.798 58.200 0.142 0.000 0.999 415 S CB 1.265 64.576 63.200 0.184 0.000 1.039 415 S HN 0.915 nan 8.310 nan 0.000 0.548 416 E N 0.177 120.345 120.200 -0.053 0.000 2.219 416 E HA -0.273 4.091 4.350 0.025 0.000 0.198 416 E C 1.032 177.528 176.600 -0.174 0.000 0.998 416 E CA 1.683 58.001 56.400 -0.138 0.000 0.818 416 E CB -0.688 28.870 29.700 -0.238 0.000 0.741 416 E HN 0.797 nan 8.360 nan 0.000 0.477 417 H N -0.145 118.983 119.070 0.097 0.000 2.547 417 H HA 0.193 4.765 4.556 0.026 0.000 0.272 417 H C 1.245 176.634 175.328 0.101 0.000 0.989 417 H CA 1.066 57.164 56.048 0.084 0.000 1.214 417 H CB 0.597 30.398 29.762 0.065 0.000 1.389 417 H HN 0.200 nan 8.280 nan 0.000 0.577 418 S N 0.002 115.826 115.700 0.207 0.000 2.539 418 S HA 0.101 4.586 4.470 0.025 0.000 0.226 418 S C 0.811 175.549 174.600 0.230 0.000 1.054 418 S CA -0.222 58.109 58.200 0.218 0.000 0.910 418 S CB 1.008 64.364 63.200 0.260 0.000 0.818 418 S HN -0.057 nan 8.310 nan 0.000 0.490 419 V N 4.115 124.157 119.914 0.213 0.000 2.408 419 V HA 0.257 4.391 4.120 0.025 0.000 0.267 419 V C 0.755 176.959 176.094 0.184 0.000 1.047 419 V CA -0.059 62.391 62.300 0.249 0.000 0.937 419 V CB 0.988 32.907 31.823 0.160 0.000 0.999 419 V HN 0.195 nan 8.190 nan 0.000 0.472 420 K N 3.488 124.002 120.400 0.189 0.000 2.244 420 K HA 0.288 4.623 4.320 0.025 0.000 0.200 420 K C 0.100 176.772 176.600 0.120 0.000 1.052 420 K CA 0.684 57.057 56.287 0.143 0.000 0.980 420 K CB 0.705 33.291 32.500 0.143 0.000 0.838 420 K HN 0.482 nan 8.250 nan 0.000 0.481 421 V N 1.843 121.829 119.914 0.120 0.000 2.888 421 V HA 0.454 4.589 4.120 0.025 0.000 0.309 421 V C -0.695 175.439 176.094 0.067 0.000 1.114 421 V CA -0.874 61.439 62.300 0.022 0.000 0.940 421 V CB 2.696 34.458 31.823 -0.103 0.000 1.021 421 V HN -0.026 nan 8.190 nan 0.000 0.426 422 I N 4.477 125.065 120.570 0.031 0.000 2.545 422 I HA 0.617 4.802 4.170 0.025 0.000 0.292 422 I C -1.093 175.054 176.117 0.050 0.000 1.040 422 I CA -0.570 60.800 61.300 0.117 0.000 1.068 422 I CB 2.260 40.376 38.000 0.193 0.000 1.251 422 I HN 0.424 nan 8.210 nan 0.000 0.424 423 I N 4.566 125.193 120.570 0.095 0.000 2.571 423 I HA 0.335 4.520 4.170 0.025 0.000 0.289 423 I C -0.140 176.054 176.117 0.128 0.000 1.115 423 I CA -0.151 61.185 61.300 0.061 0.000 1.045 423 I CB 2.243 40.235 38.000 -0.013 0.000 1.238 423 I HN 0.686 nan 8.210 nan 0.000 0.424 424 S N 3.764 119.551 115.700 0.146 0.000 2.823 424 S HA 0.376 4.861 4.470 0.025 0.000 0.316 424 S C 0.826 175.444 174.600 0.031 0.000 1.116 424 S CA -0.584 57.706 58.200 0.150 0.000 0.911 424 S CB 1.385 64.777 63.200 0.320 0.000 1.276 424 S HN 0.683 nan 8.310 nan 0.000 0.565 425 E N 0.125 120.263 120.200 -0.104 0.000 2.338 425 E HA -0.138 4.227 4.350 0.025 0.000 0.197 425 E C 1.049 177.486 176.600 -0.272 0.000 1.007 425 E CA 0.808 57.048 56.400 -0.267 0.000 0.849 425 E CB -0.462 28.955 29.700 -0.471 0.000 0.774 425 E HN 0.839 nan 8.360 nan 0.000 0.506 426 W N 1.674 122.985 121.300 0.020 0.000 2.658 426 W HA 0.250 4.915 4.660 0.008 0.000 0.263 426 W C 1.158 177.665 176.519 -0.020 0.000 1.274 426 W CA 0.418 57.754 57.345 -0.015 0.000 1.343 426 W CB 0.520 29.957 29.460 -0.038 0.000 1.106 426 W HN 0.312 nan 8.180 nan 0.000 0.615 427 G N -0.625 108.283 108.800 0.180 0.000 2.356 427 G HA2 0.269 4.244 3.960 0.025 0.000 0.288 427 G HA3 0.269 4.244 3.960 0.025 0.000 0.288 427 G C -1.633 173.291 174.900 0.040 0.000 1.302 427 G CA -0.547 44.612 45.100 0.097 0.000 0.887 427 G HN 0.274 nan 8.290 nan 0.000 0.521 428 V N -2.418 117.490 119.914 -0.010 0.000 2.628 428 V HA 0.956 5.091 4.120 0.025 0.000 0.306 428 V C 0.181 176.217 176.094 -0.097 0.000 1.045 428 V CA -0.140 62.099 62.300 -0.101 0.000 0.905 428 V CB 1.469 33.140 31.823 -0.253 0.000 0.997 428 V HN 2.466 nan 8.190 nan 0.000 0.436 429 A N 3.063 125.819 122.820 -0.108 0.000 2.328 429 A HA 0.559 4.894 4.320 0.025 0.000 0.318 429 A C -0.405 177.133 177.584 -0.075 0.000 1.347 429 A CA -0.401 51.594 52.037 -0.069 0.000 0.842 429 A CB 0.424 19.395 19.000 -0.049 0.000 1.148 429 A HN 0.924 nan 8.150 nan 0.000 0.499 430 D N 2.810 123.178 120.400 -0.053 0.000 2.325 430 D HA 0.247 4.902 4.640 0.025 0.000 0.251 430 D C 0.445 176.768 176.300 0.038 0.000 1.196 430 D CA -0.246 53.753 54.000 -0.002 0.000 0.866 430 D CB 0.972 41.824 40.800 0.086 0.000 1.101 430 D HN 0.276 nan 8.370 nan 0.000 0.476 431 L N 3.485 124.738 121.223 0.050 0.000 2.509 431 L HA 0.148 4.503 4.340 0.025 0.000 0.222 431 L C 1.206 178.118 176.870 0.071 0.000 1.123 431 L CA 0.391 55.267 54.840 0.059 0.000 0.856 431 L CB -0.484 41.614 42.059 0.065 0.000 0.985 431 L HN 0.232 nan 8.230 nan 0.000 0.456 432 R N 0.021 120.571 120.500 0.083 0.000 2.585 432 R HA 0.303 4.658 4.340 0.025 0.000 0.275 432 R C 1.247 177.589 176.300 0.070 0.000 1.018 432 R CA 0.810 56.959 56.100 0.081 0.000 1.072 432 R CB -0.162 30.193 30.300 0.092 0.000 0.953 432 R HN 0.320 nan 8.270 nan 0.000 0.419 433 G N 1.993 110.831 108.800 0.063 0.000 2.153 433 G HA2 -0.331 3.644 3.960 0.025 0.000 0.252 433 G HA3 -0.331 3.644 3.960 0.025 0.000 0.252 433 G C -0.211 174.722 174.900 0.054 0.000 0.994 433 G CA 0.257 45.390 45.100 0.055 0.000 0.698 433 G HN 0.506 nan 8.290 nan 0.000 0.521 434 K N 0.273 120.709 120.400 0.059 0.000 2.259 434 K HA 0.428 4.763 4.320 0.025 0.000 0.249 434 K C 0.593 177.233 176.600 0.066 0.000 0.942 434 K CA -0.439 55.885 56.287 0.062 0.000 0.816 434 K CB 1.383 33.921 32.500 0.064 0.000 1.155 434 K HN 0.496 nan 8.250 nan 0.000 0.428 435 N N 0.951 119.693 118.700 0.070 0.000 2.405 435 N HA 0.212 4.967 4.740 0.025 0.000 0.269 435 N C -2.115 173.460 175.510 0.108 0.000 1.249 435 N CA -1.478 51.615 53.050 0.072 0.000 0.974 435 N CB 0.704 39.227 38.487 0.060 0.000 1.204 435 N HN 0.010 nan 8.380 nan 0.000 0.565 436 P HA -0.161 nan 4.420 nan 0.000 0.214 436 P C 1.092 178.606 177.300 0.356 0.000 1.163 436 P CA 1.643 64.911 63.100 0.279 0.000 0.889 436 P CB 0.076 31.825 31.700 0.082 0.000 0.790 437 R N -0.320 120.326 120.500 0.243 0.000 2.081 437 R HA -0.128 4.227 4.340 0.025 0.000 0.235 437 R C 2.259 178.675 176.300 0.193 0.000 1.131 437 R CA 1.419 57.645 56.100 0.209 0.000 0.960 437 R CB -0.528 29.879 30.300 0.179 0.000 0.856 437 R HN 0.362 nan 8.270 nan 0.000 0.436 438 E N 0.232 120.528 120.200 0.159 0.000 2.106 438 E HA -0.191 4.173 4.350 0.025 0.000 0.192 438 E C 1.989 178.650 176.600 0.101 0.000 0.984 438 E CA 1.144 57.626 56.400 0.137 0.000 0.806 438 E CB -0.023 29.731 29.700 0.091 0.000 0.750 438 E HN 0.383 nan 8.360 nan 0.000 0.458 439 R N 0.676 121.223 120.500 0.080 0.000 2.200 439 R HA 0.168 4.523 4.340 0.025 0.000 0.208 439 R C 2.112 178.386 176.300 -0.043 0.000 1.033 439 R CA 0.922 57.044 56.100 0.037 0.000 1.000 439 R CB -0.094 30.240 30.300 0.057 0.000 0.906 439 R HN 0.049 nan 8.270 nan 0.000 0.462 440 A N 1.321 124.075 122.820 -0.109 0.000 1.872 440 A HA -0.113 4.222 4.320 0.025 0.000 0.214 440 A C 1.630 179.058 177.584 -0.260 0.000 1.187 440 A CA 1.400 53.245 52.037 -0.321 0.000 0.614 440 A CB -0.754 17.933 19.000 -0.522 0.000 0.826 440 A HN 0.511 nan 8.150 nan 0.000 0.442 441 H N -1.213 117.805 119.070 -0.085 0.000 2.389 441 H HA -0.071 4.499 4.556 0.023 0.000 0.299 441 H C 2.145 177.429 175.328 -0.073 0.000 1.081 441 H CA 1.580 57.587 56.048 -0.068 0.000 1.345 441 H CB 0.134 29.874 29.762 -0.036 0.000 1.393 441 H HN 0.591 nan 8.280 nan 0.000 0.520 442 E N 1.006 121.235 120.200 0.048 0.000 2.047 442 E HA -0.120 4.245 4.350 0.025 0.000 0.191 442 E C 1.990 178.552 176.600 -0.062 0.000 0.987 442 E CA 1.152 57.554 56.400 0.003 0.000 0.799 442 E CB -0.302 29.404 29.700 0.011 0.000 0.752 442 E HN 0.467 nan 8.360 nan 0.000 0.449 443 I N 0.322 120.828 120.570 -0.106 0.000 2.264 443 I HA -0.263 3.922 4.170 0.025 0.000 0.248 443 I C 2.285 178.228 176.117 -0.289 0.000 1.111 443 I CA 1.022 62.204 61.300 -0.196 0.000 1.382 443 I CB -0.272 37.612 38.000 -0.193 0.000 1.060 443 I HN 0.191 nan 8.210 nan 0.000 0.418 444 I N 0.572 121.010 120.570 -0.219 0.000 2.202 444 I HA -0.284 3.901 4.170 0.025 0.000 0.242 444 I C 1.970 177.996 176.117 -0.151 0.000 1.091 444 I CA 1.425 62.609 61.300 -0.194 0.000 1.368 444 I CB -0.433 37.485 38.000 -0.136 0.000 1.058 444 I HN 0.209 nan 8.210 nan 0.000 0.410 445 D N 0.586 120.930 120.400 -0.093 0.000 2.183 445 D HA -0.101 4.554 4.640 0.025 0.000 0.203 445 D C 2.082 178.330 176.300 -0.088 0.000 0.969 445 D CA 0.979 54.934 54.000 -0.076 0.000 0.842 445 D CB -0.005 40.779 40.800 -0.027 0.000 0.957 445 D HN 0.234 nan 8.370 nan 0.000 0.484 446 K N -0.575 119.773 120.400 -0.086 0.000 2.287 446 K HA 0.175 4.510 4.320 0.025 0.000 0.199 446 K C 1.921 178.510 176.600 -0.017 0.000 1.061 446 K CA 0.254 56.517 56.287 -0.041 0.000 0.976 446 K CB -0.045 32.437 32.500 -0.029 0.000 0.898 446 K HN 0.183 nan 8.250 nan 0.000 0.492 447 C N 0.732 119.944 119.300 -0.146 0.000 2.563 447 C HA 0.255 4.730 4.460 0.025 0.000 0.346 447 C C 1.159 175.992 174.990 -0.261 0.000 1.334 447 C CA -0.527 58.385 59.018 -0.176 0.000 1.938 447 C CB 0.343 27.869 27.740 -0.355 0.000 2.445 447 C HN -0.048 nan 8.230 nan 0.000 0.541 448 V N 3.006 122.595 119.914 -0.541 0.000 2.763 448 V HA 0.019 4.154 4.120 0.025 0.000 0.306 448 V C 0.589 176.675 176.094 -0.013 0.000 1.059 448 V CA 0.384 62.505 62.300 -0.299 0.000 1.138 448 V CB -0.079 31.600 31.823 -0.240 0.000 0.940 448 V HN 0.532 nan 8.190 nan 0.000 0.489 449 H N 6.851 126.026 119.070 0.174 0.000 2.764 449 H HA 0.132 4.706 4.556 0.031 0.000 0.341 449 H C -1.778 173.499 175.328 -0.085 0.000 1.072 449 H CA -1.840 54.281 56.048 0.123 0.000 1.444 449 H CB 1.664 31.736 29.762 0.515 0.000 1.458 449 H HN 0.357 nan 8.280 nan 0.000 0.572 450 P HA -0.210 nan 4.420 nan 0.000 0.220 450 P C 0.933 178.260 177.300 0.045 0.000 1.155 450 P CA 1.718 64.678 63.100 -0.234 0.000 0.880 450 P CB 0.305 31.744 31.700 -0.435 0.000 0.790 451 D N -2.917 117.660 120.400 0.295 0.000 2.311 451 D HA -0.144 4.511 4.640 0.025 0.000 0.212 451 D C 1.010 177.091 176.300 -0.365 0.000 0.972 451 D CA 1.203 55.140 54.000 -0.105 0.000 0.887 451 D CB -0.338 40.254 40.800 -0.346 0.000 0.915 451 D HN 0.398 nan 8.370 nan 0.000 0.497 452 Y N -0.948 119.422 120.300 0.117 0.000 2.527 452 Y HA 0.249 4.813 4.550 0.023 0.000 0.247 452 Y C 1.927 177.911 175.900 0.140 0.000 1.138 452 Y CA -0.489 57.697 58.100 0.143 0.000 1.228 452 Y CB 0.500 39.096 38.460 0.226 0.000 1.252 452 Y HN -0.183 nan 8.280 nan 0.000 0.531 453 R N 0.867 121.467 120.500 0.166 0.000 2.073 453 R HA -0.081 4.274 4.340 0.025 0.000 0.234 453 R C -0.795 175.566 176.300 0.101 0.000 1.134 453 R CA 1.501 57.650 56.100 0.082 0.000 0.952 453 R CB -1.898 28.390 30.300 -0.021 0.000 0.850 453 R HN 0.278 nan 8.270 nan 0.000 0.433 454 P HA -0.133 nan 4.420 nan 0.000 0.218 454 P C 1.528 178.947 177.300 0.197 0.000 1.149 454 P CA 0.924 64.088 63.100 0.107 0.000 0.817 454 P CB -0.014 31.723 31.700 0.063 0.000 0.785 455 L N -0.516 120.863 121.223 0.259 0.000 2.056 455 L HA -0.039 4.316 4.340 0.025 0.000 0.207 455 L C 2.538 179.782 176.870 0.623 0.000 1.078 455 L CA 1.565 56.678 54.840 0.455 0.000 0.749 455 L CB -1.474 40.823 42.059 0.398 0.000 0.901 455 L HN -0.148 nan 8.230 nan 0.000 0.433 456 L N -1.488 119.980 121.223 0.409 0.000 2.313 456 L HA -0.088 4.267 4.340 0.025 0.000 0.214 456 L C 2.567 179.510 176.870 0.122 0.000 1.119 456 L CA 0.498 55.476 54.840 0.230 0.000 0.809 456 L CB -0.342 41.756 42.059 0.065 0.000 0.933 456 L HN 0.198 nan 8.230 nan 0.000 0.449 457 R N -0.297 120.279 120.500 0.127 0.000 2.090 457 R HA -0.114 4.241 4.340 0.025 0.000 0.228 457 R C 2.188 178.538 176.300 0.083 0.000 1.110 457 R CA 1.008 57.150 56.100 0.069 0.000 0.973 457 R CB -0.157 30.203 30.300 0.100 0.000 0.869 457 R HN 0.452 nan 8.270 nan 0.000 0.440 458 Q N -0.573 119.327 119.800 0.167 0.000 2.224 458 Q HA -0.191 4.164 4.340 0.025 0.000 0.203 458 Q C 1.600 177.537 176.000 -0.104 0.000 0.970 458 Q CA 1.223 57.106 55.803 0.135 0.000 0.865 458 Q CB -0.091 28.864 28.738 0.361 0.000 0.922 458 Q HN 0.362 nan 8.270 nan 0.000 0.445 459 Y N 0.880 120.994 120.300 -0.311 0.000 2.274 459 Y HA -0.142 4.422 4.550 0.024 0.000 0.290 459 Y C 1.525 177.197 175.900 -0.380 0.000 1.145 459 Y CA 1.079 58.764 58.100 -0.693 0.000 1.203 459 Y CB 0.044 38.126 38.460 -0.631 0.000 0.984 459 Y HN 0.025 nan 8.280 nan 0.000 0.533 460 L N 0.194 121.284 121.223 -0.222 0.000 2.552 460 L HA -0.032 4.323 4.340 0.025 0.000 0.227 460 L C 0.699 177.470 176.870 -0.165 0.000 1.146 460 L CA 0.669 55.395 54.840 -0.191 0.000 0.858 460 L CB -0.126 41.861 42.059 -0.121 0.000 0.969 460 L HN 0.123 nan 8.230 nan 0.000 0.451 461 E N 0.099 120.193 120.200 -0.177 0.000 2.869 461 E HA 0.210 4.575 4.350 0.025 0.000 0.207 461 E C 0.865 177.375 176.600 -0.150 0.000 0.986 461 E CA 0.040 56.372 56.400 -0.113 0.000 1.131 461 E CB 0.631 30.309 29.700 -0.037 0.000 1.098 461 E HN 0.399 nan 8.360 nan 0.000 0.459 462 L N -0.133 120.933 121.223 -0.262 0.000 2.653 462 L HA 0.217 4.572 4.340 0.025 0.000 0.232 462 L C 1.179 177.950 176.870 -0.166 0.000 1.169 462 L CA 0.305 55.002 54.840 -0.238 0.000 0.951 462 L CB -0.111 41.711 42.059 -0.395 0.000 1.181 462 L HN 0.332 nan 8.230 nan 0.000 0.460 463 G N -0.006 108.714 108.800 -0.134 0.000 2.179 463 G HA2 -0.263 3.712 3.960 0.025 0.000 0.260 463 G HA3 -0.263 3.712 3.960 0.025 0.000 0.260 463 G C 0.329 175.168 174.900 -0.101 0.000 0.977 463 G CA 0.086 45.129 45.100 -0.094 0.000 0.641 463 G HN 0.137 nan 8.290 nan 0.000 0.533 464 V N 1.097 120.924 119.914 -0.145 0.000 2.585 464 V HA 0.311 4.446 4.120 0.025 0.000 0.296 464 V C 0.864 176.897 176.094 -0.101 0.000 1.035 464 V CA 0.417 62.636 62.300 -0.133 0.000 1.084 464 V CB 1.237 32.948 31.823 -0.186 0.000 0.953 464 V HN 0.345 nan 8.190 nan 0.000 0.483 465 K N 3.165 123.517 120.400 -0.079 0.000 2.138 465 K HA 0.753 5.087 4.320 0.025 0.000 0.263 465 K C 0.312 176.872 176.600 -0.066 0.000 0.965 465 K CA 0.115 56.365 56.287 -0.062 0.000 0.868 465 K CB 1.805 34.277 32.500 -0.047 0.000 1.083 465 K HN 1.055 nan 8.250 nan 0.000 0.443 466 G N 0.976 109.741 108.800 -0.059 0.000 2.354 466 G HA2 -0.177 3.798 3.960 0.025 0.000 0.582 466 G HA3 -0.177 3.798 3.960 0.025 0.000 0.582 466 G C 0.093 174.953 174.900 -0.067 0.000 1.316 466 G CA -0.369 44.694 45.100 -0.062 0.000 0.995 466 G HN 0.535 nan 8.290 nan 0.000 0.573 467 Q N -0.591 119.168 119.800 -0.068 0.000 2.061 467 Q HA 0.055 4.410 4.340 0.025 0.000 0.204 467 Q C 1.283 177.210 176.000 -0.121 0.000 0.984 467 Q CA 2.819 58.581 55.803 -0.068 0.000 0.846 467 Q CB -0.189 28.514 28.738 -0.058 0.000 0.902 467 Q HN 0.737 nan 8.270 nan 0.000 0.421 468 T N 2.376 116.811 114.554 -0.197 0.000 2.809 468 T HA 0.375 4.740 4.350 0.025 0.000 0.296 468 T C -2.571 171.930 174.700 -0.332 0.000 1.015 468 T CA -1.469 60.395 62.100 -0.393 0.000 0.954 468 T CB 1.622 70.191 68.868 -0.499 0.000 0.950 468 T HN 0.111 nan 8.240 nan 0.000 0.450 469 P HA 0.111 nan 4.420 nan 0.000 0.249 469 P C -0.005 177.218 177.300 -0.129 0.000 1.686 469 P CA -0.130 62.888 63.100 -0.137 0.000 0.873 469 P CB 0.016 31.708 31.700 -0.015 0.000 1.828 470 Q N 1.389 121.095 119.800 -0.157 0.000 2.267 470 Q HA 0.154 4.509 4.340 0.025 0.000 0.255 470 Q C 0.054 176.011 176.000 -0.072 0.000 0.923 470 Q CA 0.100 55.894 55.803 -0.016 0.000 0.925 470 Q CB 0.841 29.538 28.738 -0.069 0.000 1.195 470 Q HN 0.112 nan 8.270 nan 0.000 0.417 471 N N 3.902 122.587 118.700 -0.024 0.000 2.678 471 N HA 0.049 4.804 4.740 0.025 0.000 0.231 471 N C 0.488 176.006 175.510 0.013 0.000 1.038 471 N CA -0.172 52.834 53.050 -0.073 0.000 0.932 471 N CB 0.562 38.935 38.487 -0.189 0.000 1.176 471 N HN 0.382 nan 8.380 nan 0.000 0.511 472 L N 2.234 123.446 121.223 -0.018 0.000 2.450 472 L HA -0.135 4.220 4.340 0.025 0.000 0.225 472 L C 1.475 178.370 176.870 0.041 0.000 1.145 472 L CA 1.278 56.110 54.840 -0.014 0.000 0.801 472 L CB -0.232 41.819 42.059 -0.013 0.000 0.924 472 L HN 0.452 nan 8.230 nan 0.000 0.447 473 D N -1.875 118.567 120.400 0.070 0.000 2.289 473 D HA -0.002 4.653 4.640 0.025 0.000 0.207 473 D C 1.517 177.944 176.300 0.212 0.000 0.966 473 D CA 1.244 55.319 54.000 0.126 0.000 0.868 473 D CB 0.212 41.081 40.800 0.115 0.000 0.943 473 D HN 0.577 nan 8.370 nan 0.000 0.514 474 C N -1.097 118.339 119.300 0.228 0.000 3.692 474 C HA 0.287 4.762 4.460 0.025 0.000 0.277 474 C C 2.399 177.570 174.990 0.303 0.000 2.095 474 C CA -0.818 58.412 59.018 0.355 0.000 1.666 474 C CB -1.293 26.771 27.740 0.540 0.000 3.354 474 C HN 0.390 nan 8.230 nan 0.000 0.474 475 C N -1.004 118.351 119.300 0.091 0.000 2.419 475 C HA 0.134 4.609 4.460 0.025 0.000 0.283 475 C C 1.647 176.531 174.990 -0.178 0.000 1.373 475 C CA 0.773 59.705 59.018 -0.144 0.000 1.781 475 C CB -2.114 25.427 27.740 -0.331 0.000 1.886 475 C HN 0.642 nan 8.230 nan 0.000 0.520 476 F N 0.630 120.695 119.950 0.191 0.000 2.647 476 F HA 0.425 4.967 4.527 0.024 0.000 0.300 476 F C 2.331 178.254 175.800 0.205 0.000 1.106 476 F CA -0.005 58.146 58.000 0.252 0.000 1.313 476 F CB 0.002 39.120 39.000 0.197 0.000 1.007 476 F HN 0.170 nan 8.300 nan 0.000 0.536 477 A N 0.458 123.417 122.820 0.233 0.000 1.940 477 A HA -0.208 4.127 4.320 0.025 0.000 0.219 477 A C 1.846 179.341 177.584 -0.149 0.000 1.176 477 A CA 1.615 53.485 52.037 -0.279 0.000 0.631 477 A CB -0.822 17.790 19.000 -0.646 0.000 0.814 477 A HN 0.327 nan 8.150 nan 0.000 0.446 478 F N 0.136 119.963 119.950 -0.206 0.000 2.069 478 F HA -0.181 4.360 4.527 0.023 0.000 0.298 478 F C 2.633 178.310 175.800 -0.206 0.000 1.113 478 F CA 1.566 59.416 58.000 -0.249 0.000 1.214 478 F CB -0.905 37.909 39.000 -0.310 0.000 0.978 478 F HN 0.393 nan 8.300 nan 0.000 0.474 479 H N -0.489 118.706 119.070 0.207 0.000 2.357 479 H HA -0.121 4.450 4.556 0.025 0.000 0.301 479 H C 2.165 177.542 175.328 0.082 0.000 1.082 479 H CA 1.588 57.700 56.048 0.107 0.000 1.342 479 H CB -0.580 29.226 29.762 0.074 0.000 1.389 479 H HN 0.409 nan 8.280 nan 0.000 0.511 480 Q N 0.350 120.297 119.800 0.245 0.000 2.084 480 Q HA -0.167 4.188 4.340 0.025 0.000 0.202 480 Q C 2.323 178.438 176.000 0.192 0.000 0.978 480 Q CA 1.386 57.326 55.803 0.229 0.000 0.844 480 Q CB 0.071 29.017 28.738 0.347 0.000 0.898 480 Q HN 0.288 nan 8.270 nan 0.000 0.426 481 E N 0.815 121.091 120.200 0.128 0.000 2.150 481 E HA -0.181 4.184 4.350 0.025 0.000 0.193 481 E C 1.700 178.320 176.600 0.034 0.000 0.985 481 E CA 0.544 57.003 56.400 0.098 0.000 0.814 481 E CB -0.186 29.493 29.700 -0.036 0.000 0.752 481 E HN 0.232 nan 8.360 nan 0.000 0.466 482 L N 0.198 121.428 121.223 0.012 0.000 2.046 482 L HA -0.046 4.309 4.340 0.025 0.000 0.208 482 L C 2.124 179.012 176.870 0.029 0.000 1.077 482 L CA 2.327 57.170 54.840 0.005 0.000 0.747 482 L CB -0.940 41.123 42.059 0.007 0.000 0.896 482 L HN 0.162 nan 8.230 nan 0.000 0.432 483 A N -0.957 121.896 122.820 0.055 0.000 2.014 483 A HA -0.092 4.243 4.320 0.025 0.000 0.218 483 A C 2.139 179.752 177.584 0.048 0.000 1.163 483 A CA 1.321 53.389 52.037 0.052 0.000 0.652 483 A CB -0.352 18.688 19.000 0.066 0.000 0.808 483 A HN 0.420 nan 8.150 nan 0.000 0.449 484 K N -0.331 120.106 120.400 0.061 0.000 2.078 484 K HA 0.129 4.464 4.320 0.025 0.000 0.203 484 K C 1.922 178.540 176.600 0.029 0.000 1.043 484 K CA 1.570 57.888 56.287 0.051 0.000 0.960 484 K CB -0.682 31.863 32.500 0.076 0.000 0.761 484 K HN 0.355 nan 8.250 nan 0.000 0.448 485 S N -1.031 114.683 115.700 0.024 0.000 2.499 485 S HA 0.183 4.668 4.470 0.025 0.000 0.225 485 S C 1.217 175.815 174.600 -0.003 0.000 1.050 485 S CA 0.624 58.827 58.200 0.004 0.000 0.928 485 S CB 0.714 63.911 63.200 -0.006 0.000 0.803 485 S HN 0.550 nan 8.310 nan 0.000 0.506 486 G N 1.447 110.245 108.800 -0.003 0.000 2.175 486 G HA2 -0.182 3.793 3.960 0.025 0.000 0.244 486 G HA3 -0.182 3.793 3.960 0.025 0.000 0.244 486 G C -0.233 174.658 174.900 -0.016 0.000 0.982 486 G CA 0.318 45.415 45.100 -0.006 0.000 0.641 486 G HN 0.505 nan 8.290 nan 0.000 0.527 490 N N 0.871 119.454 118.700 -0.194 0.000 2.521 490 N HA 0.038 4.792 4.740 0.025 0.000 0.188 490 N C 0.009 175.435 175.510 -0.139 0.000 1.146 490 N CA 0.492 53.461 53.050 -0.135 0.000 0.893 490 N CB 0.457 38.897 38.487 -0.078 0.000 0.975 490 N HN -0.045 nan 8.380 nan 0.000 0.451 491 V N 1.404 121.161 119.914 -0.261 0.000 2.715 491 V HA 0.135 4.270 4.120 0.025 0.000 0.299 491 V C 0.536 176.429 176.094 -0.334 0.000 1.054 491 V CA 0.077 62.181 62.300 -0.327 0.000 1.077 491 V CB 0.729 32.149 31.823 -0.673 0.000 0.972 491 V HN 0.118 nan 8.190 nan 0.000 0.484 492 R N 2.699 123.059 120.500 -0.233 0.000 2.512 492 R HA 0.201 4.556 4.340 0.025 0.000 0.291 492 R C -0.176 176.106 176.300 -0.030 0.000 1.097 492 R CA -0.533 55.469 56.100 -0.163 0.000 0.940 492 R CB 1.139 31.425 30.300 -0.025 0.000 1.198 492 R HN 0.782 nan 8.270 nan 0.000 0.429 493 W N 1.290 122.723 121.300 0.222 0.000 2.364 493 W HA -0.166 4.507 4.660 0.023 0.000 0.281 493 W C 1.382 178.025 176.519 0.206 0.000 1.219 493 W CA 0.611 58.101 57.345 0.241 0.000 1.220 493 W CB 0.214 29.790 29.460 0.193 0.000 1.127 493 W HN 0.583 nan 8.180 nan 0.000 0.556 494 E N -0.053 120.338 120.200 0.318 0.000 2.338 494 E HA -0.145 4.220 4.350 0.025 0.000 0.197 494 E C 1.333 178.022 176.600 0.148 0.000 1.007 494 E CA 1.188 57.711 56.400 0.204 0.000 0.849 494 E CB -0.368 29.415 29.700 0.138 0.000 0.774 494 E HN 0.205 nan 8.360 nan 0.000 0.506 495 D N -1.138 119.350 120.400 0.146 0.000 2.240 495 D HA -0.023 4.632 4.640 0.025 0.000 0.206 495 D C 0.129 176.386 176.300 -0.072 0.000 0.963 495 D CA 0.617 54.624 54.000 0.012 0.000 0.863 495 D CB 0.121 40.897 40.800 -0.039 0.000 0.973 495 D HN 0.153 nan 8.370 nan 0.000 0.501 496 Y N 0.000 120.387 120.300 0.145 0.000 2.660 496 Y HA 0.000 4.565 4.550 0.026 0.000 0.201 496 Y CA 0.000 58.214 58.100 0.190 0.000 1.940 496 Y CB 0.000 38.623 38.460 0.272 0.000 1.050 496 Y HN 0.000 nan 8.280 nan 0.000 0.758