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 1wda_1_A DATA FIRST_RESID 4 DATA SEQUENCE GTLIRVTPEQ PTHAVCVLGT LTQLDICSSA PEXXTSFSIN ASPGVVVDIX DATA SEQUENCE XXXXXXXXXX XXXTWPLDPG VEVTLTMKAA SGSTGDQKVQ ISYYGPKTPP DATA SEQUENCE VKALLYLTAV EISLCADITR TGKXXXXXXX XXQRTWTWGP CGQGAILLVN DATA SEQUENCE CDRDNLESSA MDCEDDEVLD SEDLQDMSLM TLSTKTPKDF FTNHTLVLHV DATA SEQUENCE ARSEMDKVRV FQATXXXXXX XCSVVLGPKW PSHYLMVPGG KHNMDFYVEA DATA SEQUENCE LAFPDTDFPG LITLTISLLD TSNLELPEAV VFQDSVVFRV APWIMTPNTQ DATA SEQUENCE PPQEVYACSI FENEDFLKSV TTLAMKAKCK LTICPEEENM DDQWMQDEME DATA SEQUENCE IGYIQAPHKT LPVVFDSPRN RGLKEFPIKR VMGPDFGYVT RGPQTGGISG DATA SEQUENCE LDSFGNLEVS PPVTVRGKEY PLGRILFGDS CYPSNDSRQM HQALQDFLSA DATA SEQUENCE QQVQAPVKLY SDWLSVGHVD EFLSFVPAPD RKGFRLLLAS PRSCYKLFQE DATA SEQUENCE QQNEGHGEAL LFEGIKKKKQ QKIKNILSNK TLREHNSFVE RCIDWNRELL DATA SEQUENCE KRELGLAESD IIDIPQLFKL KEFSKAEAFF PNMVNMLVLG KHLGIPKPFG DATA SEQUENCE PVINGRCCLE EKVCSLLEPL GLQCTFINDF FTYHIRHGEV HAGTNVRRKP DATA SEQUENCE FSFKWWNMVP 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 4 G HA2 0.000 nan 3.960 nan 0.000 0.244 4 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 4 G C 0.000 174.931 174.900 0.052 0.000 0.946 4 G CA 0.000 45.128 45.100 0.047 0.000 0.502 5 T N 1.748 116.327 114.554 0.042 0.000 3.032 5 T HA 0.475 4.825 4.350 -0.001 0.000 0.312 5 T C -1.256 173.457 174.700 0.021 0.000 1.078 5 T CA -0.537 61.587 62.100 0.040 0.000 1.028 5 T CB 1.832 70.734 68.868 0.056 0.000 1.091 5 T HN 0.569 nan 8.240 nan 0.000 0.457 6 L N 4.346 125.580 121.223 0.017 0.000 2.277 6 L HA 0.613 4.953 4.340 -0.001 0.000 0.284 6 L C -0.846 176.028 176.870 0.006 0.000 1.028 6 L CA -0.557 54.285 54.840 0.004 0.000 0.835 6 L CB 0.272 42.331 42.059 0.001 0.000 1.215 6 L HN 0.647 nan 8.230 nan 0.000 0.425 7 I N 4.597 125.166 120.570 -0.002 0.000 2.342 7 I HA 0.315 4.484 4.170 -0.001 0.000 0.291 7 I C 0.118 176.229 176.117 -0.010 0.000 1.010 7 I CA -0.652 60.649 61.300 0.002 0.000 1.308 7 I CB 0.954 38.954 38.000 -0.001 0.000 1.400 7 I HN 0.510 nan 8.210 nan 0.000 0.488 8 R N 5.431 125.931 120.500 -0.000 0.000 2.221 8 R HA 0.436 4.775 4.340 -0.001 0.000 0.327 8 R C -0.953 175.348 176.300 0.001 0.000 1.033 8 R CA -0.367 55.730 56.100 -0.005 0.000 0.887 8 R CB 1.139 31.440 30.300 0.001 0.000 1.057 8 R HN 0.479 nan 8.270 nan 0.000 0.455 9 V N 0.320 120.231 119.914 -0.005 0.000 2.630 9 V HA 0.830 4.950 4.120 -0.001 0.000 0.305 9 V C -0.498 175.621 176.094 0.043 0.000 1.046 9 V CA -0.519 61.788 62.300 0.012 0.000 0.934 9 V CB 2.143 33.958 31.823 -0.013 0.000 1.003 9 V HN 0.763 nan 8.190 nan 0.000 0.451 10 T N 3.265 117.851 114.554 0.054 0.000 2.912 10 T HA 0.537 4.886 4.350 -0.001 0.000 0.299 10 T C -2.169 172.580 174.700 0.081 0.000 1.052 10 T CA -1.205 60.925 62.100 0.050 0.000 0.996 10 T CB 2.002 70.883 68.868 0.022 0.000 1.070 10 T HN 0.534 nan 8.240 nan 0.000 0.465 11 P HA -0.052 nan 4.420 nan 0.000 0.219 11 P C 1.239 178.569 177.300 0.050 0.000 1.150 11 P CA 0.924 64.077 63.100 0.089 0.000 0.814 11 P CB 0.409 32.136 31.700 0.046 0.000 0.787 12 E N 0.056 120.271 120.200 0.024 0.000 2.038 12 E HA -0.109 4.241 4.350 -0.001 0.000 0.195 12 E C 0.941 177.567 176.600 0.042 0.000 1.000 12 E CA 1.184 57.599 56.400 0.024 0.000 0.803 12 E CB -0.072 29.634 29.700 0.010 0.000 0.750 12 E HN 0.425 nan 8.360 nan 0.000 0.448 13 Q N 0.109 119.940 119.800 0.052 0.000 2.347 13 Q HA 0.337 4.677 4.340 -0.001 0.000 0.271 13 Q C -2.475 173.582 176.000 0.094 0.000 1.064 13 Q CA -2.119 53.727 55.803 0.073 0.000 0.800 13 Q CB 2.344 31.122 28.738 0.066 0.000 1.304 13 Q HN 0.014 nan 8.270 nan 0.000 0.438 14 P HA -0.005 nan 4.420 nan 0.000 0.267 14 P C -0.444 176.990 177.300 0.222 0.000 1.205 14 P CA 0.146 63.349 63.100 0.171 0.000 0.765 14 P CB 0.330 32.224 31.700 0.323 0.000 0.828 15 T N 0.902 115.540 114.554 0.139 0.000 2.907 15 T HA 0.417 4.767 4.350 -0.001 0.000 0.284 15 T C -0.324 174.472 174.700 0.160 0.000 1.004 15 T CA -0.571 61.629 62.100 0.167 0.000 1.063 15 T CB 0.451 69.367 68.868 0.080 0.000 0.992 15 T HN 0.322 nan 8.240 nan 0.000 0.483 16 H N 0.178 119.320 119.070 0.121 0.000 2.489 16 H HA 0.747 5.303 4.556 -0.001 0.000 0.343 16 H C -0.231 175.159 175.328 0.104 0.000 1.086 16 H CA -0.168 55.961 56.048 0.136 0.000 1.198 16 H CB 1.628 31.453 29.762 0.106 0.000 1.490 16 H HN 1.102 nan 8.280 nan 0.000 0.504 17 A N 2.452 125.372 122.820 0.166 0.000 2.594 17 A HA 0.627 4.946 4.320 -0.001 0.000 0.295 17 A C -1.364 176.289 177.584 0.116 0.000 1.071 17 A CA -0.645 51.470 52.037 0.131 0.000 0.685 17 A CB 1.187 20.234 19.000 0.078 0.000 1.285 17 A HN 0.453 nan 8.150 nan 0.000 0.405 18 V N 0.052 120.040 119.914 0.123 0.000 2.472 18 V HA 0.464 4.583 4.120 -0.001 0.000 0.290 18 V C -0.402 175.703 176.094 0.018 0.000 1.037 18 V CA -0.446 61.900 62.300 0.076 0.000 0.908 18 V CB 1.261 33.164 31.823 0.133 0.000 0.985 18 V HN 0.943 nan 8.190 nan 0.000 0.454 19 C N 4.628 123.898 119.300 -0.050 0.000 2.316 19 C HA 0.540 4.999 4.460 -0.001 0.000 0.324 19 C C 0.153 175.050 174.990 -0.156 0.000 1.226 19 C CA -0.826 58.147 59.018 -0.074 0.000 1.450 19 C CB 0.873 28.576 27.740 -0.062 0.000 2.123 19 C HN 0.656 nan 8.230 nan 0.000 0.454 20 V N 5.564 125.355 119.914 -0.205 0.000 2.530 20 V HA 0.210 4.329 4.120 -0.001 0.000 0.282 20 V C 0.461 176.403 176.094 -0.254 0.000 1.048 20 V CA -0.250 61.832 62.300 -0.364 0.000 0.997 20 V CB 0.796 32.155 31.823 -0.772 0.000 0.987 20 V HN 0.676 nan 8.190 nan 0.000 0.477 21 L N 4.578 125.668 121.223 -0.222 0.000 2.499 21 L HA 0.377 4.717 4.340 -0.001 0.000 0.273 21 L C 1.415 178.223 176.870 -0.103 0.000 1.195 21 L CA 1.074 55.831 54.840 -0.137 0.000 0.882 21 L CB 0.019 42.007 42.059 -0.119 0.000 1.133 21 L HN 1.036 nan 8.230 nan 0.000 0.483 22 G N 1.919 110.686 108.800 -0.055 0.000 2.175 22 G HA2 -0.220 3.739 3.960 -0.001 0.000 0.244 22 G HA3 -0.220 3.739 3.960 -0.001 0.000 0.244 22 G C 0.247 175.159 174.900 0.019 0.000 0.982 22 G CA 0.034 45.125 45.100 -0.014 0.000 0.641 22 G HN 0.575 nan 8.290 nan 0.000 0.527 23 T N 1.193 115.752 114.554 0.009 0.000 2.945 23 T HA 0.642 4.992 4.350 -0.001 0.000 0.286 23 T C -0.006 174.708 174.700 0.024 0.000 1.025 23 T CA -0.577 61.553 62.100 0.050 0.000 1.039 23 T CB 2.108 71.017 68.868 0.068 0.000 1.068 23 T HN 0.308 nan 8.240 nan 0.000 0.497 24 L N 2.984 124.227 121.223 0.034 0.000 2.260 24 L HA 0.413 4.753 4.340 -0.001 0.000 0.289 24 L C -0.615 176.264 176.870 0.015 0.000 1.057 24 L CA -0.162 54.687 54.840 0.016 0.000 0.811 24 L CB 0.487 42.556 42.059 0.016 0.000 1.184 24 L HN 0.707 nan 8.230 nan 0.000 0.429 25 T N 4.899 119.452 114.554 -0.001 0.000 2.779 25 T HA 0.510 4.859 4.350 -0.001 0.000 0.280 25 T C -0.258 174.431 174.700 -0.018 0.000 0.987 25 T CA -0.586 61.511 62.100 -0.005 0.000 0.966 25 T CB 1.862 70.722 68.868 -0.012 0.000 0.933 25 T HN 0.521 nan 8.240 nan 0.000 0.442 26 Q N 1.752 121.540 119.800 -0.019 0.000 2.416 26 Q HA 0.626 4.965 4.340 -0.001 0.000 0.279 26 Q C -1.286 174.688 176.000 -0.043 0.000 1.101 26 Q CA -1.118 54.664 55.803 -0.035 0.000 0.830 26 Q CB 2.469 31.188 28.738 -0.031 0.000 1.402 26 Q HN 0.343 nan 8.270 nan 0.000 0.445 27 L N 1.386 122.569 121.223 -0.065 0.000 2.341 27 L HA 0.275 4.615 4.340 -0.001 0.000 0.278 27 L C -0.747 176.070 176.870 -0.089 0.000 1.005 27 L CA -0.349 54.443 54.840 -0.080 0.000 0.818 27 L CB 1.565 43.557 42.059 -0.113 0.000 1.259 27 L HN 0.497 nan 8.230 nan 0.000 0.418 28 D N 3.431 123.789 120.400 -0.070 0.000 2.339 28 D HA 0.244 4.883 4.640 -0.001 0.000 0.241 28 D C 0.738 176.984 176.300 -0.090 0.000 1.183 28 D CA 0.248 54.206 54.000 -0.070 0.000 0.859 28 D CB 0.784 41.560 40.800 -0.040 0.000 1.067 28 D HN 0.451 nan 8.370 nan 0.000 0.484 29 I N 2.193 122.675 120.570 -0.147 0.000 3.081 29 I HA -0.067 4.103 4.170 -0.001 0.000 0.274 29 I C 2.126 178.211 176.117 -0.054 0.000 1.178 29 I CA 0.077 61.272 61.300 -0.174 0.000 1.460 29 I CB 0.303 37.973 38.000 -0.551 0.000 1.137 29 I HN 0.449 nan 8.210 nan 0.000 0.443 30 C N -0.049 119.210 119.300 -0.069 0.000 2.508 30 C HA -0.104 4.356 4.460 -0.001 0.000 0.280 30 C C 3.096 178.058 174.990 -0.046 0.000 1.262 30 C CA 1.084 60.082 59.018 -0.033 0.000 1.706 30 C CB -0.709 27.022 27.740 -0.015 0.000 2.078 30 C HN 0.449 nan 8.230 nan 0.000 0.480 31 S N 1.176 116.852 115.700 -0.039 0.000 2.406 31 S HA -0.216 4.254 4.470 -0.001 0.000 0.242 31 S C 1.548 176.115 174.600 -0.055 0.000 1.079 31 S CA 2.283 60.460 58.200 -0.038 0.000 1.133 31 S CB -0.381 62.802 63.200 -0.028 0.000 1.005 31 S HN 0.703 nan 8.310 nan 0.000 0.443 32 S N 0.588 116.248 115.700 -0.067 0.000 2.601 32 S HA 0.598 5.067 4.470 -0.001 0.000 0.244 32 S C 0.251 174.749 174.600 -0.170 0.000 1.001 32 S CA -0.139 58.010 58.200 -0.085 0.000 0.984 32 S CB 0.511 63.681 63.200 -0.049 0.000 0.842 32 S HN 0.594 nan 8.310 nan 0.000 0.474 33 A N 3.388 126.055 122.820 -0.255 0.000 2.386 33 A HA 0.614 4.933 4.320 -0.001 0.000 0.246 33 A C -2.052 175.292 177.584 -0.400 0.000 1.089 33 A CA -0.853 50.846 52.037 -0.564 0.000 0.790 33 A CB -0.340 18.340 19.000 -0.534 0.000 1.042 33 A HN 0.260 nan 8.150 nan 0.000 0.497 34 P HA 0.643 nan 4.420 nan 0.000 0.285 34 P C -0.759 176.447 177.300 -0.158 0.000 1.285 34 P CA -0.454 62.507 63.100 -0.232 0.000 0.854 34 P CB 1.610 33.199 31.700 -0.186 0.000 1.180 39 S N 0.893 116.513 115.700 -0.133 0.000 2.618 39 S HA 0.923 5.393 4.470 -0.001 0.000 0.277 39 S C -1.767 172.599 174.600 -0.391 0.000 1.138 39 S CA -0.920 57.070 58.200 -0.351 0.000 0.844 39 S CB 2.321 65.130 63.200 -0.651 0.000 1.127 39 S HN 1.106 nan 8.310 nan 0.000 0.474 40 F N -1.096 118.597 119.950 -0.428 0.000 2.678 40 F HA 0.866 5.392 4.527 -0.001 0.000 0.308 40 F C -0.903 174.946 175.800 0.082 0.000 1.118 40 F CA -0.702 57.163 58.000 -0.225 0.000 0.959 40 F CB 1.163 40.064 39.000 -0.165 0.000 1.305 40 F HN 0.623 nan 8.300 nan 0.000 0.443 41 S N 2.553 118.476 115.700 0.371 0.000 2.570 41 S HA 0.857 5.326 4.470 -0.001 0.000 0.286 41 S C -1.509 173.260 174.600 0.282 0.000 1.099 41 S CA -0.627 57.758 58.200 0.309 0.000 0.913 41 S CB 1.384 64.764 63.200 0.301 0.000 1.085 41 S HN 0.748 nan 8.310 nan 0.000 0.480 42 I N 3.231 123.934 120.570 0.222 0.000 2.569 42 I HA 0.497 4.666 4.170 -0.001 0.000 0.296 42 I C -0.764 175.393 176.117 0.067 0.000 1.028 42 I CA -0.807 60.564 61.300 0.118 0.000 1.082 42 I CB 2.182 40.243 38.000 0.102 0.000 1.264 42 I HN 0.570 nan 8.210 nan 0.000 0.429 43 N N 4.290 123.003 118.700 0.021 0.000 2.430 43 N HA 0.713 5.452 4.740 -0.001 0.000 0.290 43 N C -1.558 173.939 175.510 -0.022 0.000 1.063 43 N CA -0.283 52.770 53.050 0.005 0.000 0.883 43 N CB 2.204 40.692 38.487 0.002 0.000 1.465 43 N HN 0.727 nan 8.380 nan 0.000 0.493 44 A N 1.527 124.335 122.820 -0.020 0.000 2.413 44 A HA 0.690 5.010 4.320 -0.001 0.000 0.307 44 A C 0.026 177.595 177.584 -0.025 0.000 1.087 44 A CA -0.607 51.410 52.037 -0.034 0.000 0.750 44 A CB 0.654 19.632 19.000 -0.036 0.000 1.296 44 A HN 0.706 nan 8.150 nan 0.000 0.423 45 S N 1.391 117.074 115.700 -0.029 0.000 2.569 45 S HA 0.197 4.667 4.470 -0.001 0.000 0.274 45 S C -1.754 172.836 174.600 -0.016 0.000 1.353 45 S CA -0.128 58.061 58.200 -0.018 0.000 1.023 45 S CB -0.034 63.158 63.200 -0.014 0.000 0.876 45 S HN 0.440 nan 8.310 nan 0.000 0.540 46 P HA 0.015 nan 4.420 nan 0.000 0.218 46 P C 1.257 178.548 177.300 -0.015 0.000 1.146 46 P CA 1.523 64.617 63.100 -0.011 0.000 0.813 46 P CB -0.414 31.281 31.700 -0.009 0.000 0.778 47 G N -1.218 107.571 108.800 -0.018 0.000 3.181 47 G HA2 0.177 4.136 3.960 -0.001 0.000 0.219 47 G HA3 0.177 4.136 3.960 -0.001 0.000 0.219 47 G C -0.125 174.758 174.900 -0.027 0.000 1.182 47 G CA 0.069 45.155 45.100 -0.023 0.000 0.791 47 G HN 0.169 nan 8.290 nan 0.000 0.537 48 V N 1.102 121.001 119.914 -0.026 0.000 2.443 48 V HA 0.262 4.382 4.120 -0.001 0.000 0.293 48 V C -0.440 175.639 176.094 -0.025 0.000 1.021 48 V CA -0.763 61.519 62.300 -0.030 0.000 0.848 48 V CB 2.024 33.825 31.823 -0.035 0.000 0.998 48 V HN -0.052 nan 8.190 nan 0.000 0.424 49 V N 5.896 125.795 119.914 -0.025 0.000 2.368 49 V HA 0.266 4.385 4.120 -0.001 0.000 0.266 49 V C 0.188 176.267 176.094 -0.025 0.000 1.045 49 V CA -0.474 61.814 62.300 -0.020 0.000 0.899 49 V CB 1.453 33.266 31.823 -0.017 0.000 1.006 49 V HN 0.609 nan 8.190 nan 0.000 0.470 50 V N 4.423 124.324 119.914 -0.023 0.000 2.284 50 V HA 0.242 4.362 4.120 -0.001 0.000 0.260 50 V C 0.095 176.168 176.094 -0.035 0.000 1.084 50 V CA -0.323 61.956 62.300 -0.034 0.000 0.894 50 V CB 0.617 32.422 31.823 -0.030 0.000 1.119 50 V HN 0.817 nan 8.190 nan 0.000 0.484 51 D N 3.038 123.412 120.400 -0.043 0.000 2.283 51 D HA 0.758 5.397 4.640 -0.001 0.000 0.248 51 D C -0.294 175.948 176.300 -0.096 0.000 1.072 51 D CA 0.097 54.071 54.000 -0.043 0.000 0.929 51 D CB 1.778 42.563 40.800 -0.025 0.000 1.182 51 D HN 0.484 nan 8.370 nan 0.000 0.433 68 W N 2.446 123.519 121.300 -0.379 0.000 2.785 68 W HA 0.659 5.318 4.660 -0.001 0.000 0.333 68 W C -2.789 173.400 176.519 -0.550 0.000 1.062 68 W CA -2.244 54.762 57.345 -0.565 0.000 1.233 68 W CB 1.727 30.597 29.460 -0.984 0.000 1.413 68 W HN -0.159 nan 8.180 nan 0.000 0.489 69 P HA 0.142 nan 4.420 nan 0.000 0.278 69 P C -0.534 176.889 177.300 0.206 0.000 1.238 69 P CA -0.294 62.829 63.100 0.039 0.000 0.794 69 P CB 1.564 33.303 31.700 0.065 0.000 0.955 70 L N 2.665 124.030 121.223 0.237 0.000 2.583 70 L HA 0.200 4.540 4.340 -0.001 0.000 0.239 70 L C 0.089 177.074 176.870 0.191 0.000 1.347 70 L CA -0.052 54.992 54.840 0.341 0.000 1.246 70 L CB -1.078 41.153 42.059 0.287 0.000 1.496 70 L HN 0.363 nan 8.230 nan 0.000 0.413 71 D N -0.242 120.269 120.400 0.185 0.000 2.185 71 D HA 0.366 5.005 4.640 -0.001 0.000 0.247 71 D C -1.758 174.602 176.300 0.099 0.000 1.027 71 D CA -1.949 52.120 54.000 0.114 0.000 0.861 71 D CB 1.930 42.788 40.800 0.096 0.000 1.202 71 D HN -0.010 nan 8.370 nan 0.000 0.453 72 P HA 0.011 nan 4.420 nan 0.000 0.218 72 P C 1.349 178.667 177.300 0.031 0.000 1.148 72 P CA 0.981 64.101 63.100 0.033 0.000 0.822 72 P CB 0.123 31.834 31.700 0.019 0.000 0.784 73 G N -0.581 108.244 108.800 0.041 0.000 2.776 73 G HA2 -0.056 3.904 3.960 -0.001 0.000 0.209 73 G HA3 -0.056 3.904 3.960 -0.001 0.000 0.209 73 G C 0.338 175.260 174.900 0.036 0.000 1.145 73 G CA -0.069 45.052 45.100 0.034 0.000 0.791 73 G HN 0.317 nan 8.290 nan 0.000 0.530 74 V N 1.303 121.248 119.914 0.052 0.000 2.427 74 V HA 0.219 4.339 4.120 -0.001 0.000 0.268 74 V C -0.243 175.838 176.094 -0.022 0.000 1.046 74 V CA -0.738 61.583 62.300 0.034 0.000 0.970 74 V CB 0.874 32.755 31.823 0.097 0.000 1.001 74 V HN 0.306 nan 8.190 nan 0.000 0.476 75 E N 5.109 125.278 120.200 -0.053 0.000 2.180 75 E HA 0.288 4.637 4.350 -0.001 0.000 0.283 75 E C -0.898 175.629 176.600 -0.122 0.000 1.061 75 E CA -0.283 56.075 56.400 -0.070 0.000 0.861 75 E CB 1.686 31.357 29.700 -0.049 0.000 1.056 75 E HN 0.529 nan 8.360 nan 0.000 0.407 76 V N 3.622 123.467 119.914 -0.116 0.000 2.347 76 V HA 0.220 4.339 4.120 -0.001 0.000 0.280 76 V C 0.218 176.254 176.094 -0.096 0.000 1.021 76 V CA -0.449 61.770 62.300 -0.134 0.000 0.847 76 V CB 1.610 33.350 31.823 -0.139 0.000 0.990 76 V HN 0.605 nan 8.190 nan 0.000 0.444 77 T N 6.815 121.318 114.554 -0.087 0.000 2.824 77 T HA 0.700 5.049 4.350 -0.001 0.000 0.282 77 T C -0.891 173.776 174.700 -0.055 0.000 0.993 77 T CA -0.438 61.626 62.100 -0.060 0.000 0.967 77 T CB 0.642 69.481 68.868 -0.047 0.000 0.960 77 T HN 0.432 nan 8.240 nan 0.000 0.441 78 L N 4.561 125.756 121.223 -0.046 0.000 2.322 78 L HA 0.673 5.013 4.340 -0.001 0.000 0.281 78 L C 0.478 177.326 176.870 -0.036 0.000 1.014 78 L CA -0.984 53.831 54.840 -0.043 0.000 0.815 78 L CB 1.916 43.948 42.059 -0.046 0.000 1.247 78 L HN 0.735 nan 8.230 nan 0.000 0.421 79 T N 2.348 116.881 114.554 -0.034 0.000 2.893 79 T HA 0.714 5.064 4.350 -0.001 0.000 0.291 79 T C -0.606 174.072 174.700 -0.037 0.000 1.028 79 T CA -0.724 61.356 62.100 -0.033 0.000 0.995 79 T CB 1.527 70.378 68.868 -0.028 0.000 1.051 79 T HN 0.497 nan 8.240 nan 0.000 0.470 80 M N 3.517 123.091 119.600 -0.043 0.000 2.456 80 M HA 0.450 4.930 4.480 -0.001 0.000 0.324 80 M C 0.930 177.202 176.300 -0.047 0.000 1.124 80 M CA -1.001 54.271 55.300 -0.047 0.000 0.959 80 M CB 2.561 35.126 32.600 -0.058 0.000 1.692 80 M HN 0.681 nan 8.290 nan 0.000 0.444 81 K N 0.974 121.350 120.400 -0.041 0.000 2.044 81 K HA 0.245 4.564 4.320 -0.001 0.000 0.204 81 K C 0.576 177.150 176.600 -0.043 0.000 1.049 81 K CA 0.796 57.060 56.287 -0.037 0.000 0.945 81 K CB 0.242 32.724 32.500 -0.029 0.000 0.724 81 K HN 0.741 nan 8.250 nan 0.000 0.440 82 A N 0.545 123.335 122.820 -0.049 0.000 2.532 82 A HA 0.680 4.999 4.320 -0.001 0.000 0.290 82 A C -1.083 176.455 177.584 -0.076 0.000 1.143 82 A CA -0.686 51.317 52.037 -0.057 0.000 0.728 82 A CB 1.157 20.130 19.000 -0.045 0.000 1.317 82 A HN 0.167 nan 8.150 nan 0.000 0.414 83 A N 0.320 123.087 122.820 -0.088 0.000 2.475 83 A HA 0.512 4.831 4.320 -0.001 0.000 0.239 83 A C 0.635 178.155 177.584 -0.105 0.000 1.087 83 A CA 0.479 52.444 52.037 -0.120 0.000 0.779 83 A CB -0.267 18.659 19.000 -0.123 0.000 1.036 83 A HN 1.047 nan 8.150 nan 0.000 0.506 84 S N -0.264 115.356 115.700 -0.133 0.000 2.554 84 S HA 0.464 4.933 4.470 -0.001 0.000 0.278 84 S C 1.476 176.026 174.600 -0.085 0.000 1.242 84 S CA 0.024 58.164 58.200 -0.100 0.000 1.051 84 S CB 1.552 64.688 63.200 -0.106 0.000 0.986 84 S HN 1.000 nan 8.310 nan 0.000 0.502 85 G N 1.790 110.560 108.800 -0.050 0.000 2.430 85 G HA2 0.136 4.096 3.960 -0.001 0.000 0.216 85 G HA3 0.136 4.096 3.960 -0.001 0.000 0.216 85 G C 0.068 174.954 174.900 -0.023 0.000 1.146 85 G CA 0.081 45.162 45.100 -0.033 0.000 0.793 85 G HN 0.630 nan 8.290 nan 0.000 0.537 86 S N -1.235 114.453 115.700 -0.019 0.000 2.607 86 S HA 0.470 4.939 4.470 -0.001 0.000 0.273 86 S C -0.677 173.927 174.600 0.006 0.000 1.148 86 S CA -0.715 57.484 58.200 -0.002 0.000 0.833 86 S CB 1.506 64.708 63.200 0.004 0.000 1.130 86 S HN 0.042 nan 8.310 nan 0.000 0.470 87 T N 2.080 116.652 114.554 0.030 0.000 2.933 87 T HA 0.390 4.740 4.350 -0.001 0.000 0.306 87 T C 1.389 176.117 174.700 0.046 0.000 1.045 87 T CA 1.349 63.482 62.100 0.056 0.000 1.143 87 T CB -0.244 68.669 68.868 0.075 0.000 1.003 87 T HN 1.496 nan 8.240 nan 0.000 0.540 88 G N 3.541 112.381 108.800 0.067 0.000 2.203 88 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.263 88 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.263 88 G C 0.695 175.653 174.900 0.097 0.000 1.012 88 G CA 0.521 45.674 45.100 0.088 0.000 0.749 88 G HN 0.956 nan 8.290 nan 0.000 0.512 89 D N -0.929 119.501 120.400 0.050 0.000 2.363 89 D HA 0.028 4.668 4.640 -0.001 0.000 0.220 89 D C 0.809 177.132 176.300 0.038 0.000 0.994 89 D CA 0.874 54.898 54.000 0.040 0.000 0.890 89 D CB 0.160 40.967 40.800 0.011 0.000 0.906 89 D HN 0.383 nan 8.370 nan 0.000 0.530 90 Q N 0.317 120.137 119.800 0.034 0.000 2.266 90 Q HA 0.491 4.830 4.340 -0.001 0.000 0.261 90 Q C -0.169 175.839 176.000 0.013 0.000 0.985 90 Q CA -0.426 55.384 55.803 0.012 0.000 0.873 90 Q CB 2.526 31.255 28.738 -0.014 0.000 1.306 90 Q HN 0.192 nan 8.270 nan 0.000 0.447 91 K N 0.298 120.679 120.400 -0.031 0.000 2.435 91 K HA 0.773 5.093 4.320 -0.001 0.000 0.251 91 K C -0.965 175.559 176.600 -0.127 0.000 0.954 91 K CA -0.948 55.267 56.287 -0.120 0.000 0.820 91 K CB 2.202 34.610 32.500 -0.154 0.000 1.292 91 K HN 0.226 nan 8.250 nan 0.000 0.436 92 V N 1.311 121.116 119.914 -0.183 0.000 2.638 92 V HA 0.307 4.427 4.120 -0.001 0.000 0.306 92 V C -0.893 175.100 176.094 -0.169 0.000 1.052 92 V CA -0.830 61.386 62.300 -0.140 0.000 0.885 92 V CB 1.735 33.488 31.823 -0.116 0.000 0.999 92 V HN 0.758 nan 8.190 nan 0.000 0.424 93 Q N 3.858 123.585 119.800 -0.121 0.000 2.327 93 Q HA 0.654 4.993 4.340 -0.001 0.000 0.270 93 Q C -1.789 174.154 176.000 -0.094 0.000 1.022 93 Q CA -0.669 55.066 55.803 -0.113 0.000 0.773 93 Q CB 1.754 30.442 28.738 -0.084 0.000 1.251 93 Q HN 0.744 nan 8.270 nan 0.000 0.457 94 I N 2.695 123.181 120.570 -0.141 0.000 2.330 94 I HA 0.246 4.416 4.170 -0.001 0.000 0.289 94 I C -0.391 175.551 176.117 -0.293 0.000 1.001 94 I CA -0.102 61.061 61.300 -0.228 0.000 1.193 94 I CB 1.890 39.663 38.000 -0.379 0.000 1.345 94 I HN 0.423 nan 8.210 nan 0.000 0.461 95 S N 5.868 121.483 115.700 -0.141 0.000 2.438 95 S HA 0.488 4.958 4.470 -0.001 0.000 0.293 95 S C -0.739 173.844 174.600 -0.027 0.000 1.141 95 S CA -0.501 57.690 58.200 -0.016 0.000 1.080 95 S CB 0.111 63.391 63.200 0.134 0.000 0.978 95 S HN 0.280 nan 8.310 nan 0.000 0.479 96 Y N 3.204 123.620 120.300 0.193 0.000 2.326 96 Y HA 0.511 5.061 4.550 -0.001 0.000 0.337 96 Y C 0.222 176.236 175.900 0.191 0.000 1.023 96 Y CA -0.867 57.316 58.100 0.137 0.000 1.143 96 Y CB 0.344 38.843 38.460 0.066 0.000 1.183 96 Y HN 0.743 nan 8.280 nan 0.000 0.485 97 Y N 0.081 120.514 120.300 0.221 0.000 2.805 97 Y HA 1.030 5.580 4.550 -0.001 0.000 0.323 97 Y C 0.060 176.029 175.900 0.115 0.000 1.279 97 Y CA -1.451 56.729 58.100 0.134 0.000 1.103 97 Y CB 1.375 39.886 38.460 0.084 0.000 1.324 97 Y HN 0.706 nan 8.280 nan 0.000 0.498 98 G N -0.925 108.031 108.800 0.260 0.000 2.435 98 G HA2 0.323 4.282 3.960 -0.001 0.000 0.228 98 G HA3 0.323 4.282 3.960 -0.001 0.000 0.228 98 G C -2.349 172.634 174.900 0.137 0.000 1.198 98 G CA -0.229 44.956 45.100 0.142 0.000 0.948 98 G HN 0.518 nan 8.290 nan 0.000 0.487 99 P HA -0.092 nan 4.420 nan 0.000 0.212 99 P C 0.492 177.830 177.300 0.062 0.000 1.174 99 P CA 1.765 64.903 63.100 0.063 0.000 0.934 99 P CB -0.019 31.706 31.700 0.043 0.000 0.791 100 K N -0.729 119.705 120.400 0.058 0.000 3.012 100 K HA 0.223 4.542 4.320 -0.001 0.000 0.207 100 K C -0.341 176.293 176.600 0.055 0.000 1.130 100 K CA -0.065 56.252 56.287 0.050 0.000 1.021 100 K CB 0.697 33.217 32.500 0.034 0.000 0.736 100 K HN 0.181 nan 8.250 nan 0.000 0.448 101 T N -0.368 114.232 114.554 0.078 0.000 2.772 101 T HA 0.390 4.740 4.350 -0.001 0.000 0.288 101 T C -2.584 172.178 174.700 0.102 0.000 0.994 101 T CA -2.269 59.880 62.100 0.082 0.000 0.951 101 T CB 1.308 70.226 68.868 0.084 0.000 0.933 101 T HN -0.159 nan 8.240 nan 0.000 0.447 102 P HA 0.248 nan 4.420 nan 0.000 0.266 102 P C -2.354 175.008 177.300 0.104 0.000 1.195 102 P CA -0.947 62.197 63.100 0.074 0.000 0.768 102 P CB -0.588 31.142 31.700 0.049 0.000 0.838 103 P HA -0.026 nan 4.420 nan 0.000 0.261 103 P C -0.789 176.596 177.300 0.141 0.000 1.173 103 P CA 0.399 63.593 63.100 0.158 0.000 0.760 103 P CB 0.171 31.939 31.700 0.114 0.000 0.783 104 V N 4.577 124.605 119.914 0.190 0.000 2.370 104 V HA 0.276 4.395 4.120 -0.001 0.000 0.279 104 V C 0.451 176.684 176.094 0.231 0.000 1.029 104 V CA -0.467 61.943 62.300 0.183 0.000 0.870 104 V CB 1.027 32.953 31.823 0.173 0.000 0.984 104 V HN 0.408 nan 8.190 nan 0.000 0.451 105 K N 3.172 123.659 120.400 0.145 0.000 2.138 105 K HA 0.807 5.127 4.320 -0.001 0.000 0.263 105 K C -0.212 176.451 176.600 0.106 0.000 0.965 105 K CA -0.175 56.169 56.287 0.095 0.000 0.868 105 K CB 1.920 34.445 32.500 0.042 0.000 1.083 105 K HN 0.848 nan 8.250 nan 0.000 0.443 106 A N 2.933 125.799 122.820 0.077 0.000 2.330 106 A HA 0.611 4.931 4.320 -0.001 0.000 0.327 106 A C -1.308 176.251 177.584 -0.041 0.000 1.155 106 A CA -0.693 51.386 52.037 0.070 0.000 0.803 106 A CB 0.487 19.589 19.000 0.170 0.000 1.208 106 A HN 0.449 nan 8.150 nan 0.000 0.477 107 L N 1.692 122.872 121.223 -0.071 0.000 2.334 107 L HA 0.676 5.016 4.340 -0.001 0.000 0.275 107 L C -0.568 176.152 176.870 -0.250 0.000 1.036 107 L CA -0.457 54.248 54.840 -0.225 0.000 0.807 107 L CB 1.481 43.369 42.059 -0.284 0.000 1.231 107 L HN 0.645 nan 8.230 nan 0.000 0.438 108 L N 3.443 124.442 121.223 -0.373 0.000 2.446 108 L HA 0.475 4.815 4.340 -0.001 0.000 0.268 108 L C -1.633 175.002 176.870 -0.392 0.000 0.975 108 L CA -0.184 54.488 54.840 -0.280 0.000 0.848 108 L CB 1.103 43.069 42.059 -0.156 0.000 1.225 108 L HN 0.376 nan 8.230 nan 0.000 0.410 109 Y N 5.727 125.870 120.300 -0.262 0.000 2.341 109 Y HA 0.590 5.140 4.550 -0.001 0.000 0.340 109 Y C -0.296 175.505 175.900 -0.166 0.000 0.997 109 Y CA -0.633 57.310 58.100 -0.261 0.000 1.149 109 Y CB 1.221 39.405 38.460 -0.460 0.000 1.171 109 Y HN 0.382 nan 8.280 nan 0.000 0.494 110 L N 3.001 124.245 121.223 0.035 0.000 2.331 110 L HA 0.579 4.918 4.340 -0.001 0.000 0.275 110 L C -0.005 176.880 176.870 0.024 0.000 1.022 110 L CA -0.603 54.248 54.840 0.018 0.000 0.812 110 L CB 1.956 44.005 42.059 -0.017 0.000 1.257 110 L HN 0.552 nan 8.230 nan 0.000 0.435 111 T N 2.201 116.761 114.554 0.011 0.000 2.847 111 T HA 0.722 5.072 4.350 -0.001 0.000 0.291 111 T C -0.278 174.356 174.700 -0.109 0.000 0.998 111 T CA -0.541 61.541 62.100 -0.031 0.000 0.967 111 T CB 1.469 70.347 68.868 0.016 0.000 0.954 111 T HN 0.684 nan 8.240 nan 0.000 0.441 112 A N 3.074 125.809 122.820 -0.142 0.000 2.309 112 A HA 0.853 5.172 4.320 -0.001 0.000 0.298 112 A C 0.185 177.594 177.584 -0.293 0.000 1.165 112 A CA -0.620 51.308 52.037 -0.182 0.000 0.821 112 A CB 0.353 19.273 19.000 -0.133 0.000 1.102 112 A HN 0.999 nan 8.150 nan 0.000 0.500 113 V N -0.077 119.629 119.914 -0.347 0.000 3.007 113 V HA 0.693 4.813 4.120 -0.001 0.000 0.311 113 V C -0.521 175.391 176.094 -0.304 0.000 1.120 113 V CA -0.836 61.213 62.300 -0.419 0.000 0.980 113 V CB 1.707 33.099 31.823 -0.719 0.000 1.033 113 V HN 0.944 nan 8.190 nan 0.000 0.429 114 E N 2.761 122.822 120.200 -0.232 0.000 2.146 114 E HA 0.543 4.893 4.350 -0.001 0.000 0.282 114 E C -1.287 175.241 176.600 -0.120 0.000 0.989 114 E CA -0.711 55.593 56.400 -0.160 0.000 0.799 114 E CB 1.242 30.886 29.700 -0.094 0.000 1.088 114 E HN 0.705 nan 8.360 nan 0.000 0.397 115 I N 4.409 124.895 120.570 -0.140 0.000 2.521 115 I HA 0.157 4.326 4.170 -0.001 0.000 0.277 115 I C -0.846 175.323 176.117 0.087 0.000 1.054 115 I CA -0.625 60.671 61.300 -0.007 0.000 1.117 115 I CB 0.832 38.818 38.000 -0.023 0.000 1.217 115 I HN 0.321 nan 8.210 nan 0.000 0.469 116 S N 6.486 122.244 115.700 0.096 0.000 2.566 116 S HA 0.547 5.016 4.470 -0.001 0.000 0.324 116 S C -0.395 174.268 174.600 0.105 0.000 1.081 116 S CA -0.685 57.576 58.200 0.102 0.000 1.105 116 S CB 2.187 65.416 63.200 0.048 0.000 0.981 116 S HN 0.470 nan 8.310 nan 0.000 0.464 117 L N 3.390 124.679 121.223 0.110 0.000 2.315 117 L HA 0.388 4.728 4.340 -0.001 0.000 0.283 117 L C -0.758 176.129 176.870 0.029 0.000 1.089 117 L CA -0.335 54.549 54.840 0.073 0.000 0.833 117 L CB 0.162 42.245 42.059 0.041 0.000 1.170 117 L HN 0.826 nan 8.230 nan 0.000 0.442 118 C N 4.133 123.450 119.300 0.030 0.000 2.456 118 C HA 0.936 5.395 4.460 -0.001 0.000 0.325 118 C C 0.449 175.433 174.990 -0.010 0.000 1.217 118 C CA -0.579 58.435 59.018 -0.006 0.000 1.687 118 C CB 1.041 28.779 27.740 -0.004 0.000 2.270 118 C HN 0.941 nan 8.230 nan 0.000 0.499 119 A N 1.020 123.807 122.820 -0.055 0.000 2.524 119 A HA 0.726 5.046 4.320 -0.001 0.000 0.289 119 A C -1.248 176.290 177.584 -0.076 0.000 1.248 119 A CA -0.249 51.759 52.037 -0.049 0.000 0.712 119 A CB 0.785 19.708 19.000 -0.129 0.000 1.312 119 A HN 0.701 nan 8.150 nan 0.000 0.441 120 D N 0.999 121.364 120.400 -0.059 0.000 2.619 120 D HA 0.208 4.848 4.640 -0.001 0.000 0.224 120 D C 1.072 177.280 176.300 -0.154 0.000 1.133 120 D CA -0.090 53.861 54.000 -0.082 0.000 1.017 120 D CB -0.517 40.258 40.800 -0.043 0.000 1.077 120 D HN 0.475 nan 8.370 nan 0.000 0.503 121 I N -0.301 120.161 120.570 -0.180 0.000 3.251 121 I HA 0.027 4.196 4.170 -0.001 0.000 0.277 121 I C 1.289 177.239 176.117 -0.278 0.000 1.268 121 I CA 0.652 61.802 61.300 -0.250 0.000 1.449 121 I CB -0.205 37.653 38.000 -0.237 0.000 1.083 121 I HN 0.144 nan 8.210 nan 0.000 0.464 122 T N -1.597 112.829 114.554 -0.214 0.000 3.086 122 T HA 0.263 4.613 4.350 -0.001 0.000 0.250 122 T C 0.828 175.399 174.700 -0.215 0.000 1.074 122 T CA -0.287 61.693 62.100 -0.200 0.000 0.988 122 T CB -0.220 68.571 68.868 -0.129 0.000 0.988 122 T HN 0.521 nan 8.240 nan 0.000 0.530 123 R N 0.806 121.147 120.500 -0.266 0.000 3.261 123 R HA -0.123 4.216 4.340 -0.001 0.000 0.257 123 R C 0.577 176.790 176.300 -0.146 0.000 1.014 123 R CA 0.888 56.778 56.100 -0.349 0.000 0.681 123 R CB -3.018 26.848 30.300 -0.724 0.000 1.155 123 R HN 0.695 nan 8.270 nan 0.000 0.424 124 T N -4.327 110.181 114.554 -0.076 0.000 3.040 124 T HA 0.392 4.741 4.350 -0.001 0.000 0.266 124 T C 1.357 176.069 174.700 0.019 0.000 1.005 124 T CA 0.365 62.459 62.100 -0.009 0.000 0.906 124 T CB 1.346 70.203 68.868 -0.019 0.000 1.082 124 T HN 0.888 nan 8.240 nan 0.000 0.531 125 G N 1.994 110.810 108.800 0.026 0.000 2.159 125 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.256 125 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.256 125 G C 0.095 175.009 174.900 0.023 0.000 0.977 125 G CA 0.489 45.622 45.100 0.056 0.000 0.652 125 G HN 0.843 nan 8.290 nan 0.000 0.531 137 R N 0.771 121.243 120.500 -0.048 0.000 2.849 137 R HA 0.223 4.563 4.340 -0.001 0.000 0.238 137 R C -0.095 176.199 176.300 -0.010 0.000 1.403 137 R CA 0.219 56.294 56.100 -0.041 0.000 1.303 137 R CB 0.175 30.450 30.300 -0.041 0.000 1.191 137 R HN 0.196 nan 8.270 nan 0.000 0.533 138 T N -0.114 114.436 114.554 -0.006 0.000 2.886 138 T HA 0.185 4.534 4.350 -0.001 0.000 0.292 138 T C -1.589 173.142 174.700 0.052 0.000 1.012 138 T CA -0.585 61.540 62.100 0.041 0.000 0.982 138 T CB 1.547 70.436 68.868 0.035 0.000 1.018 138 T HN 0.302 nan 8.240 nan 0.000 0.451 139 W N 4.199 125.455 121.300 -0.074 0.000 2.331 139 W HA 0.485 5.144 4.660 -0.000 0.000 0.306 139 W C 0.227 176.693 176.519 -0.090 0.000 1.162 139 W CA -0.320 56.956 57.345 -0.116 0.000 1.232 139 W CB 0.697 30.072 29.460 -0.142 0.000 1.235 139 W HN 0.643 nan 8.180 nan 0.000 0.479 140 T N 2.084 116.499 114.554 -0.231 0.000 2.841 140 T HA 0.424 4.774 4.350 -0.001 0.000 0.283 140 T C -0.731 173.789 174.700 -0.300 0.000 1.000 140 T CA -0.767 61.291 62.100 -0.070 0.000 0.977 140 T CB 0.723 69.552 68.868 -0.066 0.000 0.979 140 T HN 0.358 nan 8.240 nan 0.000 0.446 141 W N 1.599 122.961 121.300 0.103 0.000 2.150 141 W HA 0.553 5.211 4.660 -0.002 0.000 0.341 141 W C 1.179 177.702 176.519 0.006 0.000 1.276 141 W CA 1.395 58.828 57.345 0.147 0.000 1.238 141 W CB 0.318 29.951 29.460 0.288 0.000 1.128 141 W HN 1.407 nan 8.180 nan 0.000 0.581 142 G N 1.606 110.565 108.800 0.266 0.000 2.423 142 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.684 142 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.684 142 G C -2.388 172.543 174.900 0.052 0.000 1.309 142 G CA -0.823 44.373 45.100 0.161 0.000 0.950 142 G HN 0.242 nan 8.290 nan 0.000 0.587 143 P HA 0.096 nan 4.420 nan 0.000 0.222 143 P C 1.417 178.699 177.300 -0.030 0.000 1.147 143 P CA 1.602 64.693 63.100 -0.016 0.000 0.790 143 P CB 0.135 31.822 31.700 -0.021 0.000 0.780 144 C N -1.709 117.573 119.300 -0.030 0.000 2.855 144 C HA 0.466 4.926 4.460 -0.001 0.000 0.279 144 C C 1.531 176.468 174.990 -0.089 0.000 1.270 144 C CA -0.576 58.411 59.018 -0.051 0.000 1.702 144 C CB -1.003 26.718 27.740 -0.032 0.000 1.949 144 C HN 0.171 nan 8.230 nan 0.000 0.618 145 G N 0.257 108.984 108.800 -0.122 0.000 2.562 145 G HA2 0.515 4.474 3.960 -0.001 0.000 0.275 145 G HA3 0.515 4.474 3.960 -0.001 0.000 0.275 145 G C -0.746 173.944 174.900 -0.349 0.000 1.196 145 G CA 0.002 44.966 45.100 -0.227 0.000 0.908 145 G HN 0.454 nan 8.290 nan 0.000 0.524 146 Q N -1.389 118.130 119.800 -0.469 0.000 2.433 146 Q HA 0.613 4.953 4.340 -0.001 0.000 0.279 146 Q C -0.428 175.066 176.000 -0.843 0.000 1.105 146 Q CA -0.574 54.923 55.803 -0.510 0.000 0.815 146 Q CB 2.668 31.211 28.738 -0.325 0.000 1.403 146 Q HN 1.180 nan 8.270 nan 0.000 0.435 147 G N 0.224 108.580 108.800 -0.738 0.000 2.873 147 G HA2 0.280 4.239 3.960 -0.001 0.000 0.507 147 G HA3 0.280 4.239 3.960 -0.001 0.000 0.507 147 G C -0.977 173.690 174.900 -0.388 0.000 1.440 147 G CA -0.468 44.169 45.100 -0.772 0.000 1.016 147 G HN 0.679 nan 8.290 nan 0.000 0.615 148 A N 1.508 124.228 122.820 -0.167 0.000 2.406 148 A HA 0.727 5.046 4.320 -0.001 0.000 0.243 148 A C 0.396 178.143 177.584 0.271 0.000 1.082 148 A CA 0.180 52.193 52.037 -0.041 0.000 0.786 148 A CB 0.302 19.235 19.000 -0.113 0.000 1.029 148 A HN 1.178 nan 8.150 nan 0.000 0.495 149 I N 0.372 121.069 120.570 0.211 0.000 2.498 149 I HA 0.499 4.669 4.170 -0.001 0.000 0.301 149 I C -0.044 176.301 176.117 0.380 0.000 0.984 149 I CA -0.250 61.225 61.300 0.291 0.000 1.204 149 I CB 1.498 39.560 38.000 0.102 0.000 1.362 149 I HN 0.573 nan 8.210 nan 0.000 0.471 150 L N 5.733 127.138 121.223 0.304 0.000 2.410 150 L HA 0.563 4.902 4.340 -0.001 0.000 0.270 150 L C -1.390 175.560 176.870 0.134 0.000 0.983 150 L CA -0.656 54.285 54.840 0.168 0.000 0.822 150 L CB 1.625 43.691 42.059 0.011 0.000 1.285 150 L HN 0.414 nan 8.230 nan 0.000 0.409 151 L N 4.296 125.598 121.223 0.131 0.000 2.343 151 L HA 0.453 4.793 4.340 -0.001 0.000 0.275 151 L C -0.269 176.589 176.870 -0.020 0.000 1.056 151 L CA -0.981 53.906 54.840 0.079 0.000 0.804 151 L CB 1.926 44.064 42.059 0.132 0.000 1.203 151 L HN 0.296 nan 8.230 nan 0.000 0.440 152 V N 1.959 121.778 119.914 -0.159 0.000 2.470 152 V HA -0.008 4.111 4.120 -0.001 0.000 0.276 152 V C 0.637 176.696 176.094 -0.059 0.000 1.040 152 V CA -0.305 61.850 62.300 -0.241 0.000 1.008 152 V CB 0.804 32.201 31.823 -0.710 0.000 0.990 152 V HN 0.649 nan 8.190 nan 0.000 0.477 153 N N 4.139 122.838 118.700 -0.002 0.000 3.254 153 N HA 0.034 4.774 4.740 -0.001 0.000 0.308 153 N C 0.802 176.363 175.510 0.085 0.000 1.281 153 N CA -0.253 52.832 53.050 0.059 0.000 1.212 153 N CB -0.200 38.326 38.487 0.064 0.000 1.478 153 N HN 0.874 nan 8.380 nan 0.000 0.548 154 C N -0.783 118.594 119.300 0.130 0.000 2.693 154 C HA 0.300 4.759 4.460 -0.001 0.000 0.286 154 C C 0.710 175.833 174.990 0.222 0.000 1.277 154 C CA -0.999 58.136 59.018 0.195 0.000 1.705 154 C CB -1.390 26.529 27.740 0.299 0.000 1.879 154 C HN 0.517 nan 8.230 nan 0.000 0.607 155 D N 0.985 121.495 120.400 0.183 0.000 2.539 155 D HA 0.246 4.886 4.640 -0.001 0.000 0.280 155 D C -0.196 176.173 176.300 0.114 0.000 1.208 155 D CA -0.704 53.405 54.000 0.181 0.000 1.088 155 D CB 0.456 41.369 40.800 0.187 0.000 1.149 155 D HN 0.376 nan 8.370 nan 0.000 0.596 156 R N -0.322 120.237 120.500 0.097 0.000 2.734 156 R HA 0.161 4.501 4.340 -0.001 0.000 0.268 156 R C -0.662 175.665 176.300 0.045 0.000 1.785 156 R CA -0.407 55.723 56.100 0.050 0.000 1.461 156 R CB 0.298 30.612 30.300 0.023 0.000 1.308 156 R HN 0.254 nan 8.270 nan 0.000 0.586 157 D N 0.261 120.684 120.400 0.037 0.000 2.269 157 D HA -0.121 4.518 4.640 -0.001 0.000 0.208 157 D C 0.157 176.460 176.300 0.005 0.000 0.963 157 D CA 0.666 54.681 54.000 0.025 0.000 0.864 157 D CB 0.244 41.053 40.800 0.016 0.000 0.936 157 D HN 0.471 nan 8.370 nan 0.000 0.505 158 N N 2.053 120.751 118.700 -0.003 0.000 2.440 158 N HA -0.037 4.703 4.740 -0.001 0.000 0.265 158 N C 1.964 177.468 175.510 -0.010 0.000 1.239 158 N CA -0.203 52.839 53.050 -0.014 0.000 0.909 158 N CB 1.035 39.510 38.487 -0.020 0.000 1.066 158 N HN 0.050 nan 8.380 nan 0.000 0.474 159 L N 2.960 124.176 121.223 -0.012 0.000 2.012 159 L HA -0.213 4.127 4.340 -0.001 0.000 0.236 159 L C 0.360 177.224 176.870 -0.009 0.000 1.099 159 L CA 1.699 56.534 54.840 -0.009 0.000 0.821 159 L CB -0.580 41.473 42.059 -0.011 0.000 0.918 159 L HN 0.553 nan 8.230 nan 0.000 0.445 160 E N 0.318 120.510 120.200 -0.013 0.000 3.105 160 E HA 0.342 4.692 4.350 -0.001 0.000 0.219 160 E C -0.382 176.206 176.600 -0.021 0.000 1.064 160 E CA -0.224 56.167 56.400 -0.015 0.000 1.342 160 E CB 1.015 30.707 29.700 -0.014 0.000 1.295 160 E HN 0.370 nan 8.360 nan 0.000 0.438 161 S N -0.036 115.649 115.700 -0.024 0.000 2.767 161 S HA 0.380 4.849 4.470 -0.001 0.000 0.300 161 S C 0.963 175.537 174.600 -0.042 0.000 1.123 161 S CA -0.473 57.709 58.200 -0.030 0.000 0.992 161 S CB 1.321 64.505 63.200 -0.027 0.000 1.138 161 S HN 0.242 nan 8.310 nan 0.000 0.550 162 S N 0.025 115.694 115.700 -0.051 0.000 2.549 162 S HA 0.446 4.916 4.470 -0.001 0.000 0.225 162 S C 0.344 174.890 174.600 -0.090 0.000 1.039 162 S CA -0.278 57.877 58.200 -0.074 0.000 0.942 162 S CB 0.291 63.446 63.200 -0.074 0.000 0.881 162 S HN 0.769 nan 8.310 nan 0.000 0.503 163 A N 2.281 125.062 122.820 -0.064 0.000 2.304 163 A HA 0.727 5.047 4.320 -0.001 0.000 0.301 163 A C 0.179 177.739 177.584 -0.039 0.000 1.132 163 A CA -0.628 51.374 52.037 -0.059 0.000 0.819 163 A CB 0.087 19.063 19.000 -0.039 0.000 1.094 163 A HN 0.375 nan 8.150 nan 0.000 0.492 164 M N 1.313 120.898 119.600 -0.025 0.000 2.252 164 M HA -0.024 4.456 4.480 -0.001 0.000 0.329 164 M C 0.395 176.708 176.300 0.023 0.000 1.101 164 M CA -0.051 55.263 55.300 0.023 0.000 1.117 164 M CB 0.198 32.835 32.600 0.063 0.000 1.563 164 M HN 0.735 nan 8.290 nan 0.000 0.445 165 D N 1.445 121.865 120.400 0.033 0.000 2.221 165 D HA -0.128 4.511 4.640 -0.001 0.000 0.204 165 D C 1.742 178.064 176.300 0.036 0.000 0.982 165 D CA 1.366 55.380 54.000 0.024 0.000 0.857 165 D CB -0.360 40.453 40.800 0.021 0.000 0.934 165 D HN 0.834 nan 8.370 nan 0.000 0.475 166 C N -0.267 119.061 119.300 0.046 0.000 2.576 166 C HA 0.275 4.734 4.460 -0.001 0.000 0.267 166 C C 2.088 177.094 174.990 0.027 0.000 1.364 166 C CA -0.663 58.385 59.018 0.050 0.000 1.723 166 C CB -1.056 26.708 27.740 0.040 0.000 1.778 166 C HN 0.033 nan 8.230 nan 0.000 0.572 167 E N 2.018 122.228 120.200 0.018 0.000 2.285 167 E HA -0.021 4.328 4.350 -0.001 0.000 0.194 167 E C 0.731 177.326 176.600 -0.008 0.000 0.997 167 E CA 1.157 57.557 56.400 0.000 0.000 0.845 167 E CB 0.182 29.878 29.700 -0.006 0.000 0.782 167 E HN 0.942 nan 8.360 nan 0.000 0.491 168 D N -0.882 119.521 120.400 0.006 0.000 2.569 168 D HA 0.051 4.691 4.640 -0.001 0.000 0.266 168 D C -0.442 175.872 176.300 0.023 0.000 1.164 168 D CA -0.671 53.329 54.000 0.000 0.000 1.071 168 D CB 0.591 41.391 40.800 -0.000 0.000 1.183 168 D HN -0.096 nan 8.370 nan 0.000 0.613 169 D N -2.085 118.320 120.400 0.008 0.000 2.894 169 D HA 0.254 4.894 4.640 -0.001 0.000 0.273 169 D C -0.654 175.765 176.300 0.198 0.000 1.328 169 D CA -0.536 53.480 54.000 0.026 0.000 0.845 169 D CB -0.029 40.672 40.800 -0.164 0.000 1.072 169 D HN 0.385 nan 8.370 nan 0.000 0.484 170 E N -0.313 120.023 120.200 0.226 0.000 2.340 170 E HA 0.414 4.763 4.350 -0.001 0.000 0.273 170 E C -0.978 175.550 176.600 -0.121 0.000 0.891 170 E CA -1.339 55.144 56.400 0.138 0.000 0.757 170 E CB 2.711 32.427 29.700 0.026 0.000 1.231 170 E HN -0.100 nan 8.360 nan 0.000 0.439 171 V N 3.512 123.157 119.914 -0.450 0.000 2.389 171 V HA 0.088 4.208 4.120 -0.001 0.000 0.264 171 V C 0.921 176.870 176.094 -0.242 0.000 1.049 171 V CA 0.055 62.063 62.300 -0.488 0.000 0.932 171 V CB 0.348 31.753 31.823 -0.697 0.000 1.011 171 V HN 0.703 nan 8.190 nan 0.000 0.475 172 L N 2.960 124.085 121.223 -0.163 0.000 2.416 172 L HA 0.275 4.615 4.340 -0.001 0.000 0.216 172 L C -0.158 176.655 176.870 -0.095 0.000 1.098 172 L CA 0.704 55.483 54.840 -0.102 0.000 0.840 172 L CB 0.258 42.277 42.059 -0.067 0.000 0.981 172 L HN 0.703 nan 8.230 nan 0.000 0.462 173 D N -2.514 117.818 120.400 -0.113 0.000 2.857 173 D HA 0.121 4.761 4.640 -0.001 0.000 0.227 173 D C 0.695 176.922 176.300 -0.123 0.000 1.192 173 D CA -0.181 53.763 54.000 -0.094 0.000 0.857 173 D CB 1.588 42.350 40.800 -0.064 0.000 1.645 173 D HN -0.186 nan 8.370 nan 0.000 0.482 174 S N 1.364 116.998 115.700 -0.109 0.000 2.399 174 S HA -0.236 4.233 4.470 -0.001 0.000 0.231 174 S C 1.466 175.995 174.600 -0.119 0.000 1.022 174 S CA 0.853 58.975 58.200 -0.130 0.000 0.983 174 S CB -0.322 62.820 63.200 -0.097 0.000 0.803 174 S HN 0.621 nan 8.310 nan 0.000 0.480 175 E N 1.667 121.822 120.200 -0.076 0.000 2.268 175 E HA -0.174 4.175 4.350 -0.001 0.000 0.195 175 E C 1.446 178.019 176.600 -0.045 0.000 0.995 175 E CA 1.251 57.624 56.400 -0.046 0.000 0.836 175 E CB -0.730 28.959 29.700 -0.018 0.000 0.763 175 E HN 0.628 nan 8.360 nan 0.000 0.491 176 D N 1.614 121.971 120.400 -0.072 0.000 2.149 176 D HA -0.132 4.508 4.640 -0.001 0.000 0.198 176 D C 2.102 178.350 176.300 -0.087 0.000 0.990 176 D CA 0.908 54.866 54.000 -0.070 0.000 0.839 176 D CB -0.182 40.554 40.800 -0.106 0.000 0.948 176 D HN 0.177 nan 8.370 nan 0.000 0.460 177 L N -0.037 121.081 121.223 -0.175 0.000 2.187 177 L HA -0.201 4.139 4.340 -0.001 0.000 0.213 177 L C 2.465 179.298 176.870 -0.062 0.000 1.100 177 L CA 1.019 55.715 54.840 -0.240 0.000 0.765 177 L CB -0.484 41.273 42.059 -0.504 0.000 0.904 177 L HN 0.211 nan 8.230 nan 0.000 0.437 178 Q N -0.296 119.502 119.800 -0.003 0.000 2.170 178 Q HA -0.196 4.144 4.340 -0.001 0.000 0.203 178 Q C 1.430 177.553 176.000 0.205 0.000 0.976 178 Q CA 1.274 57.135 55.803 0.098 0.000 0.858 178 Q CB -0.030 28.757 28.738 0.083 0.000 0.907 178 Q HN 0.523 nan 8.270 nan 0.000 0.433 179 D N -0.267 120.226 120.400 0.154 0.000 2.317 179 D HA -0.004 4.636 4.640 -0.001 0.000 0.211 179 D C 0.580 177.042 176.300 0.270 0.000 0.966 179 D CA 0.823 54.947 54.000 0.206 0.000 0.876 179 D CB 0.169 41.046 40.800 0.129 0.000 0.927 179 D HN 0.286 nan 8.370 nan 0.000 0.519 180 M N -0.096 119.616 119.600 0.187 0.000 2.471 180 M HA 0.238 4.718 4.480 -0.001 0.000 0.309 180 M C 0.234 176.533 176.300 -0.002 0.000 1.186 180 M CA -0.408 54.985 55.300 0.155 0.000 1.008 180 M CB 1.788 34.503 32.600 0.191 0.000 1.551 180 M HN -0.387 nan 8.290 nan 0.000 0.477 181 S N 1.880 117.552 115.700 -0.046 0.000 2.457 181 S HA 0.441 4.911 4.470 -0.001 0.000 0.289 181 S C -0.700 173.837 174.600 -0.106 0.000 1.163 181 S CA -0.755 57.338 58.200 -0.178 0.000 1.078 181 S CB 0.909 64.079 63.200 -0.050 0.000 0.987 181 S HN 0.458 nan 8.310 nan 0.000 0.482 182 L N 4.213 125.334 121.223 -0.170 0.000 2.380 182 L HA 0.566 4.906 4.340 -0.001 0.000 0.273 182 L C -0.388 176.432 176.870 -0.084 0.000 1.138 182 L CA 0.450 55.122 54.840 -0.280 0.000 0.832 182 L CB 0.529 42.434 42.059 -0.258 0.000 1.124 182 L HN 0.784 nan 8.230 nan 0.000 0.454 183 M N 4.846 124.413 119.600 -0.054 0.000 2.267 183 M HA 0.501 4.981 4.480 -0.001 0.000 0.289 183 M C -1.104 175.278 176.300 0.138 0.000 1.043 183 M CA -0.344 55.019 55.300 0.104 0.000 0.928 183 M CB 1.897 34.625 32.600 0.212 0.000 1.613 183 M HN 0.804 nan 8.290 nan 0.000 0.450 184 T N 2.421 117.033 114.554 0.097 0.000 2.885 184 T HA 0.627 4.976 4.350 -0.001 0.000 0.285 184 T C -0.927 173.862 174.700 0.148 0.000 1.019 184 T CA -0.897 61.255 62.100 0.087 0.000 1.010 184 T CB 1.773 70.631 68.868 -0.016 0.000 1.022 184 T HN 0.753 nan 8.240 nan 0.000 0.466 185 L N 2.116 123.447 121.223 0.179 0.000 2.305 185 L HA 0.560 4.900 4.340 -0.001 0.000 0.284 185 L C -0.506 176.417 176.870 0.089 0.000 1.013 185 L CA -0.587 54.365 54.840 0.187 0.000 0.819 185 L CB 1.795 44.050 42.059 0.327 0.000 1.227 185 L HN 0.812 nan 8.230 nan 0.000 0.417 186 S N 2.077 117.825 115.700 0.080 0.000 2.498 186 S HA 0.478 4.948 4.470 -0.001 0.000 0.324 186 S C -0.233 174.415 174.600 0.081 0.000 1.071 186 S CA -0.536 57.693 58.200 0.049 0.000 1.113 186 S CB 1.291 64.505 63.200 0.022 0.000 0.976 186 S HN 0.690 nan 8.310 nan 0.000 0.462 187 T N 1.007 115.630 114.554 0.115 0.000 2.829 187 T HA 0.632 4.981 4.350 -0.001 0.000 0.280 187 T C -0.732 174.026 174.700 0.098 0.000 0.999 187 T CA -0.936 61.249 62.100 0.141 0.000 0.983 187 T CB 1.464 70.505 68.868 0.288 0.000 0.968 187 T HN 0.394 nan 8.240 nan 0.000 0.446 188 K N 2.486 122.894 120.400 0.013 0.000 2.535 188 K HA 0.559 4.879 4.320 -0.001 0.000 0.253 188 K C -0.670 175.851 176.600 -0.131 0.000 0.953 188 K CA -0.440 55.831 56.287 -0.026 0.000 0.863 188 K CB 1.138 33.612 32.500 -0.043 0.000 1.111 188 K HN 1.009 nan 8.250 nan 0.000 0.431 189 T N 0.574 115.053 114.554 -0.125 0.000 2.865 189 T HA 0.575 4.925 4.350 -0.001 0.000 0.294 189 T C -2.879 171.725 174.700 -0.159 0.000 1.119 189 T CA -2.325 59.590 62.100 -0.309 0.000 1.007 189 T CB 1.652 70.208 68.868 -0.519 0.000 1.225 189 T HN 0.171 nan 8.240 nan 0.000 0.515 190 P HA 0.244 nan 4.420 nan 0.000 0.269 190 P C 0.570 177.886 177.300 0.026 0.000 1.215 190 P CA -0.389 62.685 63.100 -0.042 0.000 0.780 190 P CB 0.509 32.201 31.700 -0.013 0.000 0.898 191 K N 1.410 121.833 120.400 0.039 0.000 2.160 191 K HA -0.172 4.147 4.320 -0.001 0.000 0.206 191 K C 0.988 177.639 176.600 0.085 0.000 1.047 191 K CA 1.793 58.119 56.287 0.064 0.000 0.930 191 K CB -0.334 32.193 32.500 0.043 0.000 0.720 191 K HN 0.644 nan 8.250 nan 0.000 0.450 192 D N -0.293 120.149 120.400 0.070 0.000 2.358 192 D HA -0.063 4.576 4.640 -0.001 0.000 0.224 192 D C 1.157 177.491 176.300 0.056 0.000 1.123 192 D CA -0.251 53.786 54.000 0.063 0.000 0.833 192 D CB -0.342 40.480 40.800 0.037 0.000 0.946 192 D HN 0.148 nan 8.370 nan 0.000 0.505 193 F N 0.360 120.218 119.950 -0.153 0.000 2.186 193 F HA 0.055 4.582 4.527 -0.001 0.000 0.299 193 F C 1.079 176.691 175.800 -0.313 0.000 1.090 193 F CA 0.967 58.762 58.000 -0.342 0.000 1.307 193 F CB 0.010 38.620 39.000 -0.649 0.000 1.019 193 F HN -0.166 nan 8.300 nan 0.000 0.489 194 F N -0.632 119.319 119.950 0.002 0.000 2.732 194 F HA 0.056 4.582 4.527 -0.001 0.000 0.303 194 F C 2.034 177.788 175.800 -0.077 0.000 1.110 194 F CA 0.159 58.124 58.000 -0.059 0.000 1.355 194 F CB -0.633 38.395 39.000 0.045 0.000 1.081 194 F HN -0.194 nan 8.300 nan 0.000 0.565 195 T N 0.114 114.686 114.554 0.031 0.000 2.746 195 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 195 T C 1.388 176.041 174.700 -0.078 0.000 1.039 195 T CA 1.699 63.789 62.100 -0.017 0.000 1.142 195 T CB -0.258 68.597 68.868 -0.022 0.000 0.866 195 T HN 0.392 nan 8.240 nan 0.000 0.444 196 N N -0.652 117.965 118.700 -0.139 0.000 2.170 196 N HA 0.150 4.889 4.740 -0.001 0.000 0.222 196 N C -0.693 174.531 175.510 -0.476 0.000 1.218 196 N CA -0.121 52.785 53.050 -0.242 0.000 0.889 196 N CB 0.739 39.094 38.487 -0.220 0.000 1.083 196 N HN 0.325 nan 8.380 nan 0.000 0.520 197 H N -1.026 117.812 119.070 -0.387 0.000 2.865 197 H HA 0.502 5.057 4.556 -0.001 0.000 0.372 197 H C -0.639 174.711 175.328 0.036 0.000 1.173 197 H CA -0.565 55.300 56.048 -0.305 0.000 1.147 197 H CB 2.157 31.445 29.762 -0.789 0.000 1.805 197 H HN -0.212 nan 8.280 nan 0.000 0.553 198 T N 1.298 115.989 114.554 0.229 0.000 2.916 198 T HA 0.560 4.910 4.350 -0.001 0.000 0.305 198 T C -1.543 173.340 174.700 0.305 0.000 1.119 198 T CA -0.758 61.487 62.100 0.241 0.000 1.008 198 T CB 0.710 69.573 68.868 -0.007 0.000 1.129 198 T HN 0.393 nan 8.240 nan 0.000 0.480 199 L N 3.778 125.167 121.223 0.276 0.000 2.307 199 L HA 0.815 5.154 4.340 -0.001 0.000 0.284 199 L C -0.340 176.697 176.870 0.278 0.000 1.023 199 L CA -1.056 53.958 54.840 0.290 0.000 0.810 199 L CB 1.833 44.048 42.059 0.260 0.000 1.231 199 L HN 0.481 nan 8.230 nan 0.000 0.423 200 V N 5.408 125.487 119.914 0.276 0.000 2.680 200 V HA 0.517 4.636 4.120 -0.001 0.000 0.309 200 V C -0.939 175.296 176.094 0.234 0.000 1.052 200 V CA -0.547 61.892 62.300 0.233 0.000 0.908 200 V CB 2.264 34.173 31.823 0.142 0.000 1.001 200 V HN 0.554 nan 8.190 nan 0.000 0.431 201 L N 6.733 128.055 121.223 0.165 0.000 2.329 201 L HA 0.780 5.120 4.340 -0.001 0.000 0.279 201 L C -0.877 176.067 176.870 0.125 0.000 1.014 201 L CA -0.358 54.520 54.840 0.064 0.000 0.814 201 L CB 1.601 43.618 42.059 -0.070 0.000 1.257 201 L HN 1.098 nan 8.230 nan 0.000 0.424 202 H N 1.785 120.826 119.070 -0.049 0.000 3.017 202 H HA 0.783 5.338 4.556 -0.001 0.000 0.346 202 H C -1.582 173.726 175.328 -0.033 0.000 1.286 202 H CA -0.991 55.032 56.048 -0.042 0.000 1.120 202 H CB 1.698 31.433 29.762 -0.046 0.000 1.860 202 H HN 0.194 nan 8.280 nan 0.000 0.542 203 V N 0.244 120.192 119.914 0.058 0.000 2.962 203 V HA 0.758 4.878 4.120 -0.001 0.000 0.313 203 V C 0.527 176.661 176.094 0.066 0.000 1.099 203 V CA -0.726 61.585 62.300 0.019 0.000 0.971 203 V CB 1.593 33.416 31.823 -0.001 0.000 1.028 203 V HN 1.197 nan 8.190 nan 0.000 0.430 204 A N 2.388 125.241 122.820 0.055 0.000 2.466 204 A HA 0.314 4.634 4.320 -0.001 0.000 0.238 204 A C 1.236 178.838 177.584 0.030 0.000 1.074 204 A CA 0.034 52.104 52.037 0.054 0.000 0.774 204 A CB -0.012 19.016 19.000 0.048 0.000 1.015 204 A HN 0.909 nan 8.150 nan 0.000 0.498 205 R N 0.825 121.339 120.500 0.023 0.000 2.193 205 R HA -0.121 4.219 4.340 -0.001 0.000 0.229 205 R C 2.144 178.443 176.300 -0.001 0.000 1.110 205 R CA 1.548 57.654 56.100 0.010 0.000 0.988 205 R CB -0.220 30.084 30.300 0.008 0.000 0.871 205 R HN 0.912 nan 8.270 nan 0.000 0.458 206 S N 0.066 115.769 115.700 0.006 0.000 2.515 206 S HA -0.052 4.418 4.470 -0.001 0.000 0.231 206 S C 1.293 175.878 174.600 -0.025 0.000 0.987 206 S CA 0.739 58.940 58.200 0.001 0.000 0.936 206 S CB 0.182 63.396 63.200 0.024 0.000 0.766 206 S HN 0.364 nan 8.310 nan 0.000 0.528 207 E N 0.545 120.728 120.200 -0.029 0.000 2.572 207 E HA 0.224 4.574 4.350 -0.001 0.000 0.220 207 E C 1.736 178.281 176.600 -0.093 0.000 0.945 207 E CA 0.226 56.584 56.400 -0.070 0.000 1.070 207 E CB 0.103 29.803 29.700 0.000 0.000 1.090 207 E HN 0.743 nan 8.360 nan 0.000 0.506 208 M N 1.145 120.710 119.600 -0.058 0.000 2.267 208 M HA -0.112 4.367 4.480 -0.001 0.000 0.263 208 M C 1.325 177.572 176.300 -0.087 0.000 1.063 208 M CA 1.699 56.966 55.300 -0.055 0.000 1.090 208 M CB -0.443 32.148 32.600 -0.016 0.000 1.392 208 M HN -0.117 nan 8.290 nan 0.000 0.422 209 D N 0.785 121.123 120.400 -0.105 0.000 2.363 209 D HA -0.100 4.540 4.640 -0.001 0.000 0.220 209 D C 1.036 177.237 176.300 -0.166 0.000 0.994 209 D CA 0.826 54.756 54.000 -0.117 0.000 0.890 209 D CB -0.245 40.494 40.800 -0.102 0.000 0.906 209 D HN 0.531 nan 8.370 nan 0.000 0.530 210 K N -0.412 119.855 120.400 -0.221 0.000 2.374 210 K HA 0.270 4.590 4.320 -0.001 0.000 0.202 210 K C -0.191 176.297 176.600 -0.186 0.000 1.040 210 K CA -0.168 55.944 56.287 -0.291 0.000 1.085 210 K CB 2.072 34.205 32.500 -0.611 0.000 0.873 210 K HN -0.039 nan 8.250 nan 0.000 0.539 211 V N 0.392 120.219 119.914 -0.145 0.000 3.114 211 V HA 0.516 4.636 4.120 -0.001 0.000 0.308 211 V C -1.787 174.224 176.094 -0.139 0.000 1.168 211 V CA -0.946 61.279 62.300 -0.125 0.000 1.015 211 V CB 2.268 34.025 31.823 -0.110 0.000 1.050 211 V HN 0.098 nan 8.190 nan 0.000 0.433 212 R N 2.779 123.186 120.500 -0.154 0.000 2.651 212 R HA 0.822 5.162 4.340 -0.001 0.000 0.278 212 R C -2.360 173.775 176.300 -0.275 0.000 1.010 212 R CA -0.419 55.531 56.100 -0.249 0.000 0.896 212 R CB 2.385 32.519 30.300 -0.278 0.000 1.211 212 R HN 0.556 nan 8.270 nan 0.000 0.456 213 V N 4.621 124.305 119.914 -0.383 0.000 2.577 213 V HA 0.554 4.674 4.120 -0.001 0.000 0.303 213 V C -1.063 174.849 176.094 -0.302 0.000 1.042 213 V CA -0.653 61.519 62.300 -0.214 0.000 0.872 213 V CB 1.669 33.410 31.823 -0.137 0.000 0.998 213 V HN 0.576 nan 8.190 nan 0.000 0.423 214 F N 2.134 122.169 119.950 0.142 0.000 2.480 214 F HA 0.588 5.114 4.527 -0.001 0.000 0.329 214 F C 0.275 176.240 175.800 0.275 0.000 1.091 214 F CA -0.518 57.578 58.000 0.160 0.000 0.972 214 F CB 1.806 40.878 39.000 0.120 0.000 1.150 214 F HN 0.416 nan 8.300 nan 0.000 0.467 215 Q N 1.990 122.023 119.800 0.388 0.000 2.257 215 Q HA 0.755 5.094 4.340 -0.001 0.000 0.255 215 Q C -1.227 174.848 176.000 0.125 0.000 0.920 215 Q CA -0.746 55.168 55.803 0.185 0.000 0.927 215 Q CB 1.654 30.495 28.738 0.172 0.000 1.229 215 Q HN 0.846 nan 8.270 nan 0.000 0.433 216 A N 3.106 125.941 122.820 0.025 0.000 2.337 216 A HA 0.750 5.069 4.320 -0.001 0.000 0.331 216 A C -0.511 177.072 177.584 -0.001 0.000 1.137 216 A CA -0.455 51.624 52.037 0.071 0.000 0.807 216 A CB 1.945 21.078 19.000 0.223 0.000 1.250 216 A HN 0.760 nan 8.150 nan 0.000 0.468 226 S N 0.844 116.691 115.700 0.244 0.000 2.537 226 S HA 0.783 5.253 4.470 -0.001 0.000 0.270 226 S C -0.769 173.986 174.600 0.258 0.000 1.142 226 S CA -0.721 57.634 58.200 0.258 0.000 0.870 226 S CB 0.913 64.201 63.200 0.148 0.000 1.112 226 S HN 1.867 nan 8.310 nan 0.000 0.466 227 V N 1.952 121.919 119.914 0.088 0.000 2.540 227 V HA 0.385 4.505 4.120 -0.001 0.000 0.297 227 V C 1.391 177.384 176.094 -0.168 0.000 1.024 227 V CA 0.258 62.405 62.300 -0.256 0.000 1.105 227 V CB -0.000 31.550 31.823 -0.455 0.000 0.938 227 V HN 1.405 nan 8.190 nan 0.000 0.482 228 V N 2.288 122.088 119.914 -0.190 0.000 3.455 228 V HA 0.476 4.595 4.120 -0.001 0.000 0.250 228 V C 0.503 176.580 176.094 -0.029 0.000 1.230 228 V CA 0.235 62.362 62.300 -0.288 0.000 1.105 228 V CB -0.289 31.409 31.823 -0.208 0.000 0.850 228 V HN 0.668 nan 8.190 nan 0.000 0.461 229 L N 0.333 121.507 121.223 -0.082 0.000 2.393 229 L HA 0.952 5.292 4.340 -0.001 0.000 0.260 229 L C -0.003 176.788 176.870 -0.131 0.000 1.002 229 L CA 0.025 54.853 54.840 -0.021 0.000 0.818 229 L CB 2.006 44.035 42.059 -0.049 0.000 1.369 229 L HN 0.366 nan 8.230 nan 0.000 0.412 230 G N 0.631 109.394 108.800 -0.062 0.000 2.325 230 G HA2 0.250 4.209 3.960 -0.001 0.000 0.295 230 G HA3 0.250 4.209 3.960 -0.001 0.000 0.295 230 G C -2.862 171.996 174.900 -0.070 0.000 1.274 230 G CA -0.451 44.571 45.100 -0.131 0.000 0.857 230 G HN 0.291 nan 8.290 nan 0.000 0.499 231 P HA -0.082 nan 4.420 nan 0.000 0.218 231 P C 0.939 178.229 177.300 -0.017 0.000 1.147 231 P CA 1.569 64.629 63.100 -0.066 0.000 0.827 231 P CB 0.218 31.867 31.700 -0.085 0.000 0.778 232 K N -3.445 116.963 120.400 0.013 0.000 2.644 232 K HA 0.105 4.424 4.320 -0.001 0.000 0.198 232 K C -0.919 175.897 176.600 0.360 0.000 1.113 232 K CA -0.106 56.255 56.287 0.124 0.000 1.073 232 K CB 0.585 33.146 32.500 0.102 0.000 0.811 232 K HN 0.099 nan 8.250 nan 0.000 0.508 233 W N 2.710 123.983 121.300 -0.045 0.000 2.483 233 W HA 0.289 4.948 4.660 -0.001 0.000 0.291 233 W C -2.109 174.387 176.519 -0.039 0.000 0.997 233 W CA -2.313 55.013 57.345 -0.032 0.000 1.591 233 W CB 1.108 30.552 29.460 -0.027 0.000 1.434 233 W HN -0.084 nan 8.180 nan 0.000 0.420 234 P HA -0.000 nan 4.420 nan 0.000 0.240 234 P C 0.210 177.548 177.300 0.063 0.000 1.190 234 P CA 0.794 63.936 63.100 0.071 0.000 0.781 234 P CB 0.890 32.613 31.700 0.039 0.000 0.931 235 S N -1.239 114.474 115.700 0.022 0.000 2.556 235 S HA 0.587 5.056 4.470 -0.001 0.000 0.271 235 S C -1.495 173.076 174.600 -0.049 0.000 1.135 235 S CA -0.677 57.517 58.200 -0.011 0.000 0.858 235 S CB 1.918 65.047 63.200 -0.117 0.000 1.114 235 S HN 0.068 nan 8.310 nan 0.000 0.468 236 H N -0.157 118.822 119.070 -0.151 0.000 2.947 236 H HA 0.436 4.991 4.556 -0.001 0.000 0.354 236 H C -1.900 173.380 175.328 -0.079 0.000 1.085 236 H CA -0.405 55.560 56.048 -0.139 0.000 1.253 236 H CB 1.130 30.905 29.762 0.021 0.000 1.757 236 H HN 0.720 nan 8.280 nan 0.000 0.523 237 Y N 4.631 124.770 120.300 -0.270 0.000 2.393 237 Y HA 0.170 4.720 4.550 -0.001 0.000 0.338 237 Y C 0.246 176.113 175.900 -0.054 0.000 1.029 237 Y CA -0.577 57.442 58.100 -0.136 0.000 1.239 237 Y CB 0.615 38.967 38.460 -0.180 0.000 1.170 237 Y HN 0.307 nan 8.280 nan 0.000 0.515 238 L N 4.688 126.053 121.223 0.237 0.000 2.395 238 L HA 0.332 4.671 4.340 -0.001 0.000 0.269 238 L C -0.117 176.794 176.870 0.068 0.000 1.133 238 L CA -0.309 54.655 54.840 0.207 0.000 0.812 238 L CB 0.766 42.961 42.059 0.226 0.000 1.125 238 L HN 0.599 nan 8.230 nan 0.000 0.452 239 M N 3.559 123.190 119.600 0.052 0.000 2.047 239 M HA 0.384 4.863 4.480 -0.001 0.000 0.342 239 M C -1.220 175.009 176.300 -0.118 0.000 1.058 239 M CA -0.420 54.855 55.300 -0.042 0.000 0.991 239 M CB 1.306 33.907 32.600 0.001 0.000 1.474 239 M HN 0.266 nan 8.290 nan 0.000 0.419 240 V N 5.401 125.134 119.914 -0.302 0.000 2.540 240 V HA 0.587 4.706 4.120 -0.001 0.000 0.302 240 V C -2.167 173.677 176.094 -0.416 0.000 1.035 240 V CA -1.431 60.609 62.300 -0.434 0.000 0.873 240 V CB 1.750 33.184 31.823 -0.649 0.000 0.992 240 V HN 0.626 nan 8.190 nan 0.000 0.428 241 P HA 0.347 nan 4.420 nan 0.000 0.284 241 P C 0.250 177.689 177.300 0.231 0.000 1.258 241 P CA -0.018 63.062 63.100 -0.032 0.000 0.824 241 P CB 1.370 32.988 31.700 -0.136 0.000 1.038 242 G N 0.104 109.115 108.800 0.353 0.000 2.716 242 G HA2 0.396 4.355 3.960 -0.001 0.000 0.251 242 G HA3 0.396 4.355 3.960 -0.001 0.000 0.251 242 G C 0.485 175.492 174.900 0.179 0.000 1.224 242 G CA 0.360 45.650 45.100 0.317 0.000 0.891 242 G HN 0.876 nan 8.290 nan 0.000 0.561 243 G N -0.369 108.502 108.800 0.118 0.000 2.512 243 G HA2 -0.093 3.867 3.960 -0.001 0.000 0.240 243 G HA3 -0.093 3.867 3.960 -0.001 0.000 0.240 243 G C 0.108 175.068 174.900 0.100 0.000 1.246 243 G CA 0.337 45.483 45.100 0.077 0.000 0.919 243 G HN 1.294 nan 8.290 nan 0.000 0.577 244 K N 0.924 121.380 120.400 0.093 0.000 2.227 244 K HA 0.636 4.955 4.320 -0.001 0.000 0.280 244 K C -0.693 176.018 176.600 0.184 0.000 1.041 244 K CA -0.421 55.928 56.287 0.104 0.000 0.905 244 K CB 1.918 34.452 32.500 0.057 0.000 1.068 244 K HN 0.927 nan 8.250 nan 0.000 0.470 245 H N 1.425 120.529 119.070 0.056 0.000 2.930 245 H HA 0.440 4.995 4.556 -0.001 0.000 0.371 245 H C -1.570 173.778 175.328 0.034 0.000 1.169 245 H CA -0.668 55.407 56.048 0.046 0.000 1.157 245 H CB 1.812 31.610 29.762 0.059 0.000 1.789 245 H HN 0.814 nan 8.280 nan 0.000 0.547 246 N N 3.596 121.946 118.700 -0.584 0.000 2.295 246 N HA 0.357 5.096 4.740 -0.001 0.000 0.293 246 N C -1.448 173.703 175.510 -0.597 0.000 1.040 246 N CA -0.645 52.162 53.050 -0.405 0.000 0.840 246 N CB 2.118 40.483 38.487 -0.204 0.000 1.468 246 N HN 0.401 nan 8.380 nan 0.000 0.478 247 M N 2.556 121.939 119.600 -0.361 0.000 2.106 247 M HA 0.316 4.795 4.480 -0.001 0.000 0.288 247 M C -1.848 174.173 176.300 -0.465 0.000 0.941 247 M CA -0.631 54.437 55.300 -0.386 0.000 0.934 247 M CB 1.021 33.479 32.600 -0.238 0.000 1.551 247 M HN 0.346 nan 8.290 nan 0.000 0.437 248 D N 4.620 124.740 120.400 -0.466 0.000 2.210 248 D HA 0.455 5.094 4.640 -0.001 0.000 0.249 248 D C -1.253 174.672 176.300 -0.626 0.000 1.078 248 D CA 0.531 54.282 54.000 -0.416 0.000 0.875 248 D CB 0.867 41.517 40.800 -0.250 0.000 1.175 248 D HN 0.343 nan 8.370 nan 0.000 0.440 249 F N 1.055 120.890 119.950 -0.191 0.000 2.546 249 F HA 0.438 4.965 4.527 -0.001 0.000 0.320 249 F C -0.370 175.245 175.800 -0.308 0.000 1.076 249 F CA -1.004 56.935 58.000 -0.102 0.000 0.928 249 F CB 1.325 40.309 39.000 -0.026 0.000 1.189 249 F HN 0.166 nan 8.300 nan 0.000 0.465 250 Y N 1.056 121.519 120.300 0.272 0.000 2.393 250 Y HA 0.686 5.235 4.550 -0.001 0.000 0.341 250 Y C -0.591 175.422 175.900 0.189 0.000 0.988 250 Y CA -1.089 57.115 58.100 0.174 0.000 1.078 250 Y CB 2.003 40.533 38.460 0.116 0.000 1.203 250 Y HN 0.217 nan 8.280 nan 0.000 0.453 251 V N 3.132 123.144 119.914 0.164 0.000 2.604 251 V HA 0.496 4.616 4.120 -0.001 0.000 0.305 251 V C -0.783 175.311 176.094 0.001 0.000 1.043 251 V CA -1.076 61.218 62.300 -0.009 0.000 0.888 251 V CB 1.746 33.376 31.823 -0.321 0.000 0.995 251 V HN 0.801 nan 8.190 nan 0.000 0.429 252 E N 3.267 123.474 120.200 0.012 0.000 2.288 252 E HA 0.859 5.209 4.350 -0.001 0.000 0.268 252 E C -0.781 175.790 176.600 -0.048 0.000 0.885 252 E CA -0.951 55.462 56.400 0.022 0.000 0.767 252 E CB 2.490 32.258 29.700 0.113 0.000 1.220 252 E HN 0.738 nan 8.360 nan 0.000 0.427 253 A N 2.693 125.479 122.820 -0.056 0.000 2.295 253 A HA 0.507 4.827 4.320 -0.001 0.000 0.318 253 A C 0.355 177.889 177.584 -0.083 0.000 1.134 253 A CA -0.803 51.188 52.037 -0.077 0.000 0.827 253 A CB 0.432 19.390 19.000 -0.070 0.000 1.136 253 A HN 0.756 nan 8.150 nan 0.000 0.493 254 L N 0.105 121.271 121.223 -0.095 0.000 2.817 254 L HA 0.431 4.770 4.340 -0.001 0.000 0.248 254 L C 0.662 177.487 176.870 -0.074 0.000 1.133 254 L CA 0.572 55.364 54.840 -0.080 0.000 0.935 254 L CB 0.118 42.125 42.059 -0.086 0.000 1.266 254 L HN 0.765 nan 8.230 nan 0.000 0.535 255 A N -0.379 122.388 122.820 -0.089 0.000 2.520 255 A HA 0.662 4.981 4.320 -0.001 0.000 0.298 255 A C -1.249 176.379 177.584 0.073 0.000 1.051 255 A CA -0.420 51.622 52.037 0.008 0.000 0.690 255 A CB 1.037 20.007 19.000 -0.050 0.000 1.281 255 A HN -0.038 nan 8.150 nan 0.000 0.402 256 F N 1.484 121.568 119.950 0.223 0.000 2.406 256 F HA 0.444 4.971 4.527 -0.001 0.000 0.327 256 F C -1.698 174.258 175.800 0.260 0.000 1.153 256 F CA -1.387 56.743 58.000 0.215 0.000 1.218 256 F CB 0.582 39.743 39.000 0.268 0.000 1.215 256 F HN 0.298 nan 8.300 nan 0.000 0.570 257 P HA 0.026 nan 4.420 nan 0.000 0.265 257 P C -0.963 176.386 177.300 0.081 0.000 1.187 257 P CA 0.472 63.550 63.100 -0.037 0.000 0.766 257 P CB 0.563 32.139 31.700 -0.207 0.000 0.820 258 D N -0.035 120.435 120.400 0.117 0.000 2.768 258 D HA 0.139 4.779 4.640 -0.001 0.000 0.327 258 D C 0.985 177.349 176.300 0.106 0.000 1.302 258 D CA -0.331 53.751 54.000 0.138 0.000 0.897 258 D CB 0.802 41.749 40.800 0.245 0.000 1.420 258 D HN 0.075 nan 8.370 nan 0.000 0.494 259 T N -0.089 114.529 114.554 0.107 0.000 2.721 259 T HA -0.167 4.183 4.350 -0.001 0.000 0.268 259 T C 0.913 175.673 174.700 0.100 0.000 1.038 259 T CA 1.856 64.009 62.100 0.087 0.000 1.145 259 T CB -0.192 68.728 68.868 0.087 0.000 0.858 259 T HN 0.442 nan 8.240 nan 0.000 0.459 260 D N -0.786 119.696 120.400 0.137 0.000 2.463 260 D HA 0.113 4.752 4.640 -0.001 0.000 0.224 260 D C -0.386 176.063 176.300 0.249 0.000 1.174 260 D CA -0.464 53.624 54.000 0.147 0.000 0.829 260 D CB -0.097 40.772 40.800 0.115 0.000 0.993 260 D HN 0.315 nan 8.370 nan 0.000 0.497 261 F N 0.910 120.879 119.950 0.032 0.000 3.395 261 F HA 0.310 4.837 4.527 0.000 0.000 0.382 261 F C -2.487 173.322 175.800 0.015 0.000 1.264 261 F CA -2.224 55.790 58.000 0.023 0.000 1.277 261 F CB 1.605 40.621 39.000 0.026 0.000 1.780 261 F HN -0.336 nan 8.300 nan 0.000 0.691 262 P HA 0.108 nan 4.420 nan 0.000 0.219 262 P C 1.015 177.950 177.300 -0.607 0.000 1.146 262 P CA 2.588 65.514 63.100 -0.289 0.000 0.808 262 P CB 0.245 31.868 31.700 -0.128 0.000 0.779 263 G N -2.938 105.053 108.800 -1.347 0.000 2.175 263 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.182 263 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.182 263 G C -0.195 174.292 174.900 -0.688 0.000 1.003 263 G CA -0.553 43.715 45.100 -1.386 0.000 0.666 263 G HN 0.232 nan 8.290 nan 0.000 0.506 264 L N 1.499 122.490 121.223 -0.387 0.000 2.307 264 L HA 0.679 5.018 4.340 -0.001 0.000 0.282 264 L C 0.028 176.994 176.870 0.161 0.000 1.051 264 L CA -1.012 53.768 54.840 -0.100 0.000 0.804 264 L CB 1.392 43.405 42.059 -0.077 0.000 1.197 264 L HN -0.043 nan 8.230 nan 0.000 0.431 265 I N 2.041 122.721 120.570 0.183 0.000 2.466 265 I HA 0.289 4.459 4.170 -0.001 0.000 0.289 265 I C -0.214 176.024 176.117 0.202 0.000 1.026 265 I CA -0.203 61.227 61.300 0.217 0.000 1.078 265 I CB 2.050 40.177 38.000 0.212 0.000 1.249 265 I HN 0.505 nan 8.210 nan 0.000 0.429 266 T N 7.324 121.955 114.554 0.127 0.000 2.771 266 T HA 0.663 5.012 4.350 -0.001 0.000 0.281 266 T C 0.010 174.734 174.700 0.039 0.000 0.982 266 T CA -0.422 61.723 62.100 0.075 0.000 0.978 266 T CB 1.279 70.166 68.868 0.032 0.000 0.930 266 T HN 0.259 nan 8.240 nan 0.000 0.447 267 L N 2.957 124.198 121.223 0.030 0.000 2.329 267 L HA 0.665 5.005 4.340 -0.001 0.000 0.279 267 L C 0.146 176.915 176.870 -0.169 0.000 1.014 267 L CA -0.804 53.999 54.840 -0.062 0.000 0.814 267 L CB 1.945 44.014 42.059 0.016 0.000 1.257 267 L HN 0.557 nan 8.230 nan 0.000 0.424 268 T N 2.827 117.165 114.554 -0.360 0.000 2.893 268 T HA 0.546 4.896 4.350 -0.001 0.000 0.293 268 T C -0.876 173.547 174.700 -0.463 0.000 1.027 268 T CA -0.384 61.444 62.100 -0.454 0.000 0.988 268 T CB 2.447 70.938 68.868 -0.629 0.000 1.043 268 T HN 0.313 nan 8.240 nan 0.000 0.461 269 I N 2.279 122.734 120.570 -0.191 0.000 2.354 269 I HA 0.554 4.723 4.170 -0.001 0.000 0.292 269 I C -0.442 175.737 176.117 0.103 0.000 0.989 269 I CA 0.202 61.501 61.300 -0.001 0.000 1.188 269 I CB 1.244 39.289 38.000 0.074 0.000 1.342 269 I HN 0.521 nan 8.210 nan 0.000 0.457 270 S N 7.290 123.141 115.700 0.252 0.000 2.501 270 S HA 0.622 5.092 4.470 -0.001 0.000 0.301 270 S C -0.992 173.781 174.600 0.288 0.000 1.096 270 S CA -0.533 57.815 58.200 0.248 0.000 1.063 270 S CB 1.583 64.921 63.200 0.231 0.000 1.042 270 S HN 0.572 nan 8.310 nan 0.000 0.494 271 L N 4.171 125.597 121.223 0.339 0.000 2.282 271 L HA 0.621 4.961 4.340 -0.001 0.000 0.288 271 L C -1.494 175.559 176.870 0.304 0.000 1.033 271 L CA -0.227 54.847 54.840 0.390 0.000 0.807 271 L CB 0.327 42.679 42.059 0.489 0.000 1.209 271 L HN 0.584 nan 8.230 nan 0.000 0.423 272 L N 4.155 125.536 121.223 0.263 0.000 2.362 272 L HA 0.465 4.804 4.340 -0.001 0.000 0.275 272 L C -0.703 176.197 176.870 0.050 0.000 0.998 272 L CA -0.856 54.075 54.840 0.151 0.000 0.820 272 L CB 1.754 43.884 42.059 0.119 0.000 1.270 272 L HN 0.507 nan 8.230 nan 0.000 0.415 273 D N 1.911 122.286 120.400 -0.041 0.000 2.325 273 D HA 0.151 4.790 4.640 -0.001 0.000 0.251 273 D C 0.419 176.579 176.300 -0.234 0.000 1.196 273 D CA -0.076 53.742 54.000 -0.304 0.000 0.866 273 D CB 1.283 41.967 40.800 -0.193 0.000 1.101 273 D HN 0.625 nan 8.370 nan 0.000 0.476 274 T N 0.037 114.409 114.554 -0.303 0.000 3.308 274 T HA 0.165 4.515 4.350 -0.001 0.000 0.270 274 T C 1.297 175.872 174.700 -0.207 0.000 0.992 274 T CA -0.534 61.446 62.100 -0.199 0.000 0.931 274 T CB 0.096 68.863 68.868 -0.168 0.000 1.142 274 T HN 0.085 nan 8.240 nan 0.000 0.525 275 S N 1.789 117.346 115.700 -0.239 0.000 2.453 275 S HA 0.107 4.576 4.470 -0.001 0.000 0.231 275 S C 0.562 175.085 174.600 -0.129 0.000 1.005 275 S CA 0.398 58.481 58.200 -0.194 0.000 0.949 275 S CB -0.199 62.886 63.200 -0.190 0.000 0.774 275 S HN 0.638 nan 8.310 nan 0.000 0.510 276 N N 1.075 119.709 118.700 -0.110 0.000 2.443 276 N HA 0.295 5.034 4.740 -0.001 0.000 0.269 276 N C 0.191 175.658 175.510 -0.072 0.000 0.985 276 N CA -0.319 52.683 53.050 -0.081 0.000 0.921 276 N CB 1.101 39.548 38.487 -0.067 0.000 1.195 276 N HN -0.077 nan 8.380 nan 0.000 0.492 277 L N 1.385 122.569 121.223 -0.065 0.000 2.376 277 L HA 0.053 4.393 4.340 -0.001 0.000 0.219 277 L C 0.841 177.682 176.870 -0.047 0.000 1.133 277 L CA 1.272 56.077 54.840 -0.058 0.000 0.816 277 L CB -0.517 41.510 42.059 -0.053 0.000 0.933 277 L HN 0.627 nan 8.230 nan 0.000 0.449 278 E N 0.226 120.400 120.200 -0.043 0.000 2.496 278 E HA 0.373 4.722 4.350 -0.001 0.000 0.202 278 E C -0.072 176.509 176.600 -0.032 0.000 1.021 278 E CA 0.058 56.438 56.400 -0.034 0.000 1.015 278 E CB 0.763 30.445 29.700 -0.030 0.000 1.102 278 E HN 0.321 nan 8.360 nan 0.000 0.452 279 L N 0.453 121.654 121.223 -0.037 0.000 2.465 279 L HA 0.428 4.767 4.340 -0.001 0.000 0.257 279 L C -2.511 174.339 176.870 -0.033 0.000 0.988 279 L CA -2.251 52.569 54.840 -0.032 0.000 0.827 279 L CB 1.808 43.847 42.059 -0.032 0.000 1.397 279 L HN -0.177 nan 8.230 nan 0.000 0.410 280 P HA 0.096 nan 4.420 nan 0.000 0.271 280 P C -0.841 176.444 177.300 -0.026 0.000 1.233 280 P CA -0.437 62.650 63.100 -0.022 0.000 0.789 280 P CB 0.315 32.006 31.700 -0.015 0.000 0.951 281 E N -0.008 120.181 120.200 -0.018 0.000 2.508 281 E HA 0.252 4.602 4.350 -0.001 0.000 0.266 281 E C -0.326 176.272 176.600 -0.005 0.000 1.010 281 E CA 0.121 56.513 56.400 -0.013 0.000 0.955 281 E CB 0.113 29.826 29.700 0.021 0.000 0.946 281 E HN 0.432 nan 8.360 nan 0.000 0.454 282 A N 2.841 125.659 122.820 -0.003 0.000 2.335 282 A HA 0.394 4.713 4.320 -0.001 0.000 0.304 282 A C -0.475 177.137 177.584 0.046 0.000 1.118 282 A CA -0.809 51.236 52.037 0.014 0.000 0.757 282 A CB 1.038 20.042 19.000 0.005 0.000 1.188 282 A HN 0.356 nan 8.150 nan 0.000 0.460 283 V N 3.372 123.319 119.914 0.055 0.000 2.572 283 V HA 0.118 4.238 4.120 -0.001 0.000 0.291 283 V C 1.051 177.217 176.094 0.120 0.000 1.039 283 V CA 0.141 62.495 62.300 0.090 0.000 1.055 283 V CB 1.123 32.985 31.823 0.065 0.000 0.969 283 V HN 0.712 nan 8.190 nan 0.000 0.482 284 V N 4.209 124.235 119.914 0.186 0.000 3.379 284 V HA 0.349 4.468 4.120 -0.001 0.000 0.249 284 V C 0.071 176.351 176.094 0.310 0.000 1.184 284 V CA 0.445 62.881 62.300 0.227 0.000 1.106 284 V CB 0.037 32.032 31.823 0.286 0.000 0.826 284 V HN 0.742 nan 8.190 nan 0.000 0.465 285 F N 0.596 120.615 119.950 0.115 0.000 2.652 285 F HA 0.548 5.074 4.527 -0.001 0.000 0.320 285 F C -1.468 174.398 175.800 0.109 0.000 1.115 285 F CA -0.503 57.557 58.000 0.100 0.000 1.053 285 F CB 1.248 40.310 39.000 0.103 0.000 1.297 285 F HN -0.069 nan 8.300 nan 0.000 0.471 286 Q N 4.072 123.487 119.800 -0.642 0.000 2.394 286 Q HA 0.509 4.848 4.340 -0.001 0.000 0.273 286 Q C -1.959 173.478 176.000 -0.939 0.000 1.089 286 Q CA -1.163 54.287 55.803 -0.588 0.000 0.812 286 Q CB 2.942 31.559 28.738 -0.200 0.000 1.353 286 Q HN 0.619 nan 8.270 nan 0.000 0.438 287 D N -0.263 119.778 120.400 -0.598 0.000 2.661 287 D HA 0.597 5.237 4.640 -0.001 0.000 0.228 287 D C -1.454 174.736 176.300 -0.183 0.000 1.183 287 D CA -0.256 53.530 54.000 -0.357 0.000 0.844 287 D CB 2.333 43.033 40.800 -0.168 0.000 1.555 287 D HN 0.426 nan 8.370 nan 0.000 0.453 288 S N -0.252 115.370 115.700 -0.130 0.000 2.618 288 S HA 0.739 5.208 4.470 -0.001 0.000 0.277 288 S C -1.035 173.497 174.600 -0.113 0.000 1.138 288 S CA -0.759 57.369 58.200 -0.120 0.000 0.844 288 S CB 1.690 64.824 63.200 -0.110 0.000 1.127 288 S HN 0.516 nan 8.310 nan 0.000 0.474 289 V N -0.908 118.925 119.914 -0.136 0.000 2.735 289 V HA 0.889 5.008 4.120 -0.001 0.000 0.310 289 V C -0.953 175.002 176.094 -0.231 0.000 1.061 289 V CA -0.740 61.421 62.300 -0.231 0.000 0.913 289 V CB 1.455 33.061 31.823 -0.361 0.000 1.005 289 V HN 0.583 nan 8.190 nan 0.000 0.428 290 V N 4.915 124.694 119.914 -0.225 0.000 2.370 290 V HA 0.535 4.655 4.120 -0.001 0.000 0.283 290 V C -0.423 175.600 176.094 -0.118 0.000 1.023 290 V CA -0.144 62.111 62.300 -0.074 0.000 0.857 290 V CB 0.913 32.768 31.823 0.053 0.000 0.985 290 V HN 0.774 nan 8.190 nan 0.000 0.443 291 F N 3.528 123.529 119.950 0.086 0.000 2.397 291 F HA 0.631 5.158 4.527 -0.000 0.000 0.331 291 F C 0.565 176.308 175.800 -0.094 0.000 1.090 291 F CA -0.536 57.510 58.000 0.076 0.000 1.065 291 F CB 1.318 40.347 39.000 0.049 0.000 1.184 291 F HN 0.323 nan 8.300 nan 0.000 0.499 292 R N 1.876 122.350 120.500 -0.043 0.000 2.387 292 R HA 0.590 4.930 4.340 -0.001 0.000 0.314 292 R C -1.534 174.718 176.300 -0.079 0.000 0.958 292 R CA -0.631 55.211 56.100 -0.431 0.000 0.846 292 R CB 1.265 30.733 30.300 -1.386 0.000 1.147 292 R HN 0.554 nan 8.270 nan 0.000 0.447 293 V N 4.041 123.889 119.914 -0.110 0.000 2.585 293 V HA 0.149 4.269 4.120 -0.001 0.000 0.296 293 V C 0.660 176.678 176.094 -0.127 0.000 1.035 293 V CA -0.171 62.095 62.300 -0.056 0.000 1.084 293 V CB 0.983 32.793 31.823 -0.022 0.000 0.953 293 V HN 0.929 nan 8.190 nan 0.000 0.483 294 A N 8.966 131.757 122.820 -0.050 0.000 2.450 294 A HA 0.517 4.837 4.320 -0.001 0.000 0.255 294 A C -1.828 175.590 177.584 -0.277 0.000 1.096 294 A CA -1.043 50.867 52.037 -0.213 0.000 0.778 294 A CB -0.129 18.937 19.000 0.111 0.000 1.031 294 A HN 0.696 nan 8.150 nan 0.000 0.494 295 P HA 0.100 nan 4.420 nan 0.000 0.276 295 P C -0.735 176.469 177.300 -0.160 0.000 1.244 295 P CA -0.423 62.490 63.100 -0.310 0.000 0.801 295 P CB 0.581 31.979 31.700 -0.503 0.000 1.006 296 W N 3.583 124.713 121.300 -0.284 0.000 2.266 296 W HA 0.414 5.074 4.660 -0.001 0.000 0.317 296 W C -0.868 175.415 176.519 -0.394 0.000 1.310 296 W CA 0.211 57.341 57.345 -0.358 0.000 1.207 296 W CB 0.053 29.207 29.460 -0.510 0.000 1.199 296 W HN 0.177 nan 8.180 nan 0.000 0.544 297 I N 8.030 127.876 120.570 -1.206 0.000 2.498 297 I HA 0.275 4.444 4.170 -0.001 0.000 0.290 297 I C 0.078 175.511 176.117 -1.139 0.000 1.032 297 I CA -1.108 59.561 61.300 -1.051 0.000 1.073 297 I CB 1.743 39.101 38.000 -1.070 0.000 1.251 297 I HN 0.290 nan 8.210 nan 0.000 0.426 298 M N 3.829 122.984 119.600 -0.742 0.000 2.359 298 M HA 0.386 4.865 4.480 -0.001 0.000 0.322 298 M C -0.092 176.161 176.300 -0.078 0.000 1.166 298 M CA -0.408 54.617 55.300 -0.459 0.000 1.067 298 M CB 1.837 34.258 32.600 -0.298 0.000 1.523 298 M HN 0.589 nan 8.290 nan 0.000 0.467 299 T N -0.088 114.443 114.554 -0.038 0.000 2.786 299 T HA 0.608 4.958 4.350 -0.001 0.000 0.283 299 T C -2.641 172.026 174.700 -0.054 0.000 0.992 299 T CA -1.791 60.267 62.100 -0.070 0.000 0.954 299 T CB 0.984 69.774 68.868 -0.130 0.000 0.934 299 T HN 0.342 nan 8.240 nan 0.000 0.440 300 P HA 0.266 nan 4.420 nan 0.000 0.275 300 P C 0.378 177.651 177.300 -0.044 0.000 1.266 300 P CA -0.505 62.558 63.100 -0.062 0.000 0.793 300 P CB 0.754 32.386 31.700 -0.113 0.000 1.074 301 N N -0.539 118.164 118.700 0.006 0.000 2.519 301 N HA -0.088 4.652 4.740 -0.001 0.000 0.186 301 N C 1.406 176.935 175.510 0.032 0.000 1.062 301 N CA 1.398 54.481 53.050 0.056 0.000 0.910 301 N CB -0.816 37.743 38.487 0.120 0.000 0.958 301 N HN 0.554 nan 8.380 nan 0.000 0.445 302 T N -2.981 111.570 114.554 -0.005 0.000 3.100 302 T HA 0.116 4.465 4.350 -0.001 0.000 0.253 302 T C 0.720 175.399 174.700 -0.034 0.000 1.118 302 T CA 0.010 62.118 62.100 0.013 0.000 1.058 302 T CB 0.244 69.136 68.868 0.039 0.000 0.953 302 T HN -0.137 nan 8.240 nan 0.000 0.515 303 Q N 2.636 122.369 119.800 -0.112 0.000 2.286 303 Q HA 0.355 4.694 4.340 -0.001 0.000 0.257 303 Q C -2.624 173.315 176.000 -0.102 0.000 0.941 303 Q CA -2.736 52.955 55.803 -0.187 0.000 0.912 303 Q CB 1.011 29.533 28.738 -0.359 0.000 1.192 303 Q HN 0.222 nan 8.270 nan 0.000 0.410 304 P HA 0.017 nan 4.420 nan 0.000 0.262 304 P C -2.334 174.946 177.300 -0.034 0.000 1.182 304 P CA -0.603 62.471 63.100 -0.043 0.000 0.761 304 P CB 0.048 31.722 31.700 -0.043 0.000 0.795 305 P HA 0.134 nan 4.420 nan 0.000 0.277 305 P C -0.204 177.103 177.300 0.012 0.000 1.240 305 P CA 0.130 63.241 63.100 0.018 0.000 0.798 305 P CB 1.364 33.088 31.700 0.040 0.000 0.979 306 Q N -0.336 119.476 119.800 0.020 0.000 2.360 306 Q HA 0.165 4.505 4.340 -0.001 0.000 0.261 306 Q C 0.092 176.097 176.000 0.008 0.000 0.802 306 Q CA 0.158 55.968 55.803 0.012 0.000 0.983 306 Q CB 1.205 29.949 28.738 0.010 0.000 1.211 306 Q HN 0.568 nan 8.270 nan 0.000 0.523 307 E N 0.467 120.675 120.200 0.012 0.000 2.321 307 E HA 0.391 4.741 4.350 -0.001 0.000 0.281 307 E C -1.676 174.842 176.600 -0.135 0.000 0.910 307 E CA -0.439 55.910 56.400 -0.084 0.000 0.770 307 E CB 2.202 31.850 29.700 -0.087 0.000 1.225 307 E HN -0.136 nan 8.360 nan 0.000 0.417 308 V N 4.042 123.837 119.914 -0.198 0.000 2.630 308 V HA 0.467 4.587 4.120 -0.001 0.000 0.305 308 V C -1.050 174.879 176.094 -0.275 0.000 1.046 308 V CA -0.492 61.738 62.300 -0.117 0.000 0.934 308 V CB 1.190 32.992 31.823 -0.035 0.000 1.003 308 V HN 0.581 nan 8.190 nan 0.000 0.451 309 Y N 1.867 122.223 120.300 0.093 0.000 2.409 309 Y HA 0.805 5.354 4.550 -0.001 0.000 0.343 309 Y C 0.242 176.171 175.900 0.048 0.000 0.973 309 Y CA -0.537 57.618 58.100 0.092 0.000 1.064 309 Y CB 2.177 40.722 38.460 0.142 0.000 1.207 309 Y HN 0.782 nan 8.280 nan 0.000 0.452 310 A N 0.963 123.874 122.820 0.152 0.000 2.572 310 A HA 0.672 4.992 4.320 -0.001 0.000 0.295 310 A C -1.042 176.547 177.584 0.008 0.000 1.072 310 A CA -0.726 51.378 52.037 0.112 0.000 0.691 310 A CB 0.799 19.897 19.000 0.163 0.000 1.291 310 A HN 1.152 nan 8.150 nan 0.000 0.404 311 C N 0.940 120.206 119.300 -0.057 0.000 3.414 311 C HA 0.654 5.114 4.460 -0.001 0.000 0.208 311 C C 0.759 175.654 174.990 -0.158 0.000 1.422 311 C CA 0.105 59.024 59.018 -0.165 0.000 1.437 311 C CB -0.976 26.571 27.740 -0.322 0.000 1.850 311 C HN 0.967 nan 8.230 nan 0.000 0.481 312 S N -0.071 115.644 115.700 0.025 0.000 2.554 312 S HA 0.293 4.763 4.470 -0.001 0.000 0.226 312 S C 0.332 175.091 174.600 0.266 0.000 0.980 312 S CA -0.225 58.078 58.200 0.171 0.000 0.939 312 S CB -0.218 63.236 63.200 0.422 0.000 0.832 312 S HN 0.611 nan 8.310 nan 0.000 0.486 313 I N 4.748 125.399 120.570 0.136 0.000 2.577 313 I HA 0.276 4.445 4.170 -0.001 0.000 0.299 313 I C 0.134 176.391 176.117 0.233 0.000 1.157 313 I CA -0.123 61.262 61.300 0.142 0.000 1.418 313 I CB -2.277 35.762 38.000 0.065 0.000 1.467 313 I HN 0.509 nan 8.210 nan 0.000 0.624 314 F N 3.866 123.776 119.950 -0.067 0.000 3.461 314 F HA 0.330 4.857 4.527 -0.001 0.000 0.328 314 F C 1.377 177.133 175.800 -0.074 0.000 1.160 314 F CA -1.012 56.933 58.000 -0.092 0.000 0.879 314 F CB 0.515 39.423 39.000 -0.152 0.000 1.559 314 F HN 0.258 nan 8.300 nan 0.000 0.510 315 E N 1.425 121.231 120.200 -0.656 0.000 2.236 315 E HA -0.324 4.026 4.350 -0.001 0.000 0.205 315 E C 0.169 176.499 176.600 -0.450 0.000 1.028 315 E CA 1.940 58.002 56.400 -0.564 0.000 0.827 315 E CB -1.129 28.198 29.700 -0.622 0.000 0.735 315 E HN 0.648 nan 8.360 nan 0.000 0.470 316 N N 0.355 118.708 118.700 -0.578 0.000 2.381 316 N HA 0.057 4.796 4.740 -0.001 0.000 0.254 316 N C 0.252 175.783 175.510 0.036 0.000 1.264 316 N CA 0.149 53.105 53.050 -0.156 0.000 0.942 316 N CB 1.342 39.835 38.487 0.010 0.000 1.190 316 N HN 0.007 nan 8.380 nan 0.000 0.495 317 E N -1.583 118.687 120.200 0.116 0.000 2.701 317 E HA 0.088 4.438 4.350 -0.001 0.000 0.201 317 E C 0.069 176.767 176.600 0.163 0.000 0.961 317 E CA -0.135 56.343 56.400 0.131 0.000 1.659 317 E CB 0.217 29.959 29.700 0.071 0.000 1.970 317 E HN 0.612 nan 8.360 nan 0.000 1.021 318 D N 0.350 120.856 120.400 0.175 0.000 2.277 318 D HA -0.066 4.574 4.640 -0.001 0.000 0.208 318 D C 1.499 177.923 176.300 0.207 0.000 0.962 318 D CA 0.384 54.482 54.000 0.164 0.000 0.865 318 D CB 0.007 40.899 40.800 0.154 0.000 0.939 318 D HN 0.097 nan 8.370 nan 0.000 0.510 319 F N 1.630 121.668 119.950 0.147 0.000 2.069 319 F HA -0.230 4.296 4.527 -0.001 0.000 0.298 319 F C 1.977 177.834 175.800 0.094 0.000 1.113 319 F CA 1.228 59.317 58.000 0.148 0.000 1.214 319 F CB -0.235 38.924 39.000 0.265 0.000 0.978 319 F HN -0.162 nan 8.300 nan 0.000 0.474 320 L N 0.535 121.906 121.223 0.247 0.000 2.083 320 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 320 L C 2.406 179.272 176.870 -0.005 0.000 1.083 320 L CA 1.725 56.627 54.840 0.104 0.000 0.752 320 L CB -0.922 41.232 42.059 0.157 0.000 0.899 320 L HN 0.047 nan 8.230 nan 0.000 0.433 321 K N -0.751 119.662 120.400 0.022 0.000 2.032 321 K HA -0.169 4.151 4.320 -0.001 0.000 0.209 321 K C 2.269 178.839 176.600 -0.051 0.000 1.048 321 K CA 1.820 58.107 56.287 -0.001 0.000 0.927 321 K CB -0.173 32.341 32.500 0.025 0.000 0.712 321 K HN 0.221 nan 8.250 nan 0.000 0.441 322 S N 0.439 116.087 115.700 -0.087 0.000 2.368 322 S HA -0.127 4.343 4.470 -0.001 0.000 0.224 322 S C 2.098 176.587 174.600 -0.184 0.000 1.029 322 S CA 1.398 59.520 58.200 -0.129 0.000 0.988 322 S CB -0.269 62.848 63.200 -0.138 0.000 0.838 322 S HN 0.362 nan 8.310 nan 0.000 0.462 323 V N 0.722 120.475 119.914 -0.269 0.000 2.427 323 V HA -0.116 4.003 4.120 -0.001 0.000 0.248 323 V C 1.980 177.995 176.094 -0.132 0.000 1.051 323 V CA 2.137 64.297 62.300 -0.234 0.000 1.048 323 V CB -1.726 29.920 31.823 -0.296 0.000 0.666 323 V HN 0.383 nan 8.190 nan 0.000 0.456 324 T N 0.904 115.398 114.554 -0.099 0.000 2.720 324 T HA -0.178 4.171 4.350 -0.001 0.000 0.268 324 T C 1.913 176.570 174.700 -0.073 0.000 1.037 324 T CA 2.458 64.520 62.100 -0.063 0.000 1.144 324 T CB -0.683 68.164 68.868 -0.034 0.000 0.864 324 T HN 0.694 nan 8.240 nan 0.000 0.444 325 T N 2.215 116.718 114.554 -0.085 0.000 2.777 325 T HA 0.062 4.411 4.350 -0.001 0.000 0.266 325 T C 1.991 176.608 174.700 -0.138 0.000 1.040 325 T CA 0.866 62.908 62.100 -0.096 0.000 1.141 325 T CB -0.405 68.410 68.868 -0.088 0.000 0.868 325 T HN 0.254 nan 8.240 nan 0.000 0.444 326 L N 0.762 121.897 121.223 -0.146 0.000 2.093 326 L HA -0.014 4.326 4.340 -0.001 0.000 0.208 326 L C 3.040 179.827 176.870 -0.138 0.000 1.085 326 L CA 1.053 55.789 54.840 -0.174 0.000 0.755 326 L CB -0.690 41.296 42.059 -0.121 0.000 0.904 326 L HN 0.219 nan 8.230 nan 0.000 0.435 327 A N -0.084 122.681 122.820 -0.092 0.000 1.883 327 A HA -0.302 4.017 4.320 -0.001 0.000 0.217 327 A C 2.369 179.915 177.584 -0.063 0.000 1.186 327 A CA 2.242 54.242 52.037 -0.061 0.000 0.624 327 A CB -0.612 18.355 19.000 -0.056 0.000 0.822 327 A HN 0.439 nan 8.150 nan 0.000 0.444 328 M N -0.808 118.746 119.600 -0.077 0.000 2.159 328 M HA -0.164 4.315 4.480 -0.001 0.000 0.263 328 M C 2.003 178.251 176.300 -0.088 0.000 1.063 328 M CA 1.901 57.161 55.300 -0.067 0.000 1.110 328 M CB -0.218 32.344 32.600 -0.062 0.000 1.374 328 M HN 0.354 nan 8.290 nan 0.000 0.411 329 K N 0.058 120.355 120.400 -0.173 0.000 2.057 329 K HA -0.104 4.215 4.320 -0.001 0.000 0.207 329 K C 1.716 178.245 176.600 -0.119 0.000 1.049 329 K CA 1.494 57.608 56.287 -0.287 0.000 0.931 329 K CB -0.193 31.862 32.500 -0.742 0.000 0.714 329 K HN 0.448 nan 8.250 nan 0.000 0.440 330 A N 0.839 123.635 122.820 -0.041 0.000 2.238 330 A HA -0.003 4.316 4.320 -0.001 0.000 0.208 330 A C 0.147 177.765 177.584 0.057 0.000 1.177 330 A CA 0.327 52.436 52.037 0.120 0.000 0.804 330 A CB -0.046 19.023 19.000 0.115 0.000 0.823 330 A HN 0.278 nan 8.150 nan 0.000 0.482 331 K N -1.792 118.618 120.400 0.018 0.000 3.181 331 K HA -0.142 4.177 4.320 -0.001 0.000 0.269 331 K C -0.846 175.755 176.600 0.003 0.000 1.097 331 K CA 0.696 56.988 56.287 0.009 0.000 0.783 331 K CB -2.779 29.732 32.500 0.018 0.000 1.267 331 K HN 0.516 nan 8.250 nan 0.000 0.484 332 C N 0.984 120.279 119.300 -0.007 0.000 2.411 332 C HA 0.424 4.883 4.460 -0.001 0.000 0.330 332 C C 0.548 175.521 174.990 -0.027 0.000 1.224 332 C CA -1.245 57.765 59.018 -0.014 0.000 1.770 332 C CB 1.355 29.086 27.740 -0.016 0.000 2.297 332 C HN 0.233 nan 8.230 nan 0.000 0.507 333 K N 1.933 122.316 120.400 -0.029 0.000 2.440 333 K HA 0.252 4.572 4.320 -0.001 0.000 0.270 333 K C -0.512 176.039 176.600 -0.082 0.000 0.980 333 K CA 0.104 56.367 56.287 -0.041 0.000 0.953 333 K CB 0.230 32.713 32.500 -0.027 0.000 0.925 333 K HN 0.594 nan 8.250 nan 0.000 0.497 334 L N 2.700 123.879 121.223 -0.074 0.000 2.404 334 L HA 0.325 4.664 4.340 -0.001 0.000 0.272 334 L C -0.747 176.080 176.870 -0.072 0.000 0.980 334 L CA -0.235 54.552 54.840 -0.089 0.000 0.836 334 L CB 1.641 43.671 42.059 -0.048 0.000 1.238 334 L HN 0.759 nan 8.230 nan 0.000 0.408 335 T N 4.680 119.163 114.554 -0.120 0.000 2.829 335 T HA 0.747 5.096 4.350 -0.001 0.000 0.280 335 T C -0.540 174.208 174.700 0.080 0.000 0.999 335 T CA -0.439 61.666 62.100 0.009 0.000 0.983 335 T CB 1.459 70.378 68.868 0.085 0.000 0.968 335 T HN 0.465 nan 8.240 nan 0.000 0.446 336 I N 2.711 123.340 120.570 0.097 0.000 2.608 336 I HA 0.477 4.647 4.170 -0.001 0.000 0.295 336 I C -0.389 175.746 176.117 0.031 0.000 1.049 336 I CA -1.057 60.274 61.300 0.052 0.000 1.063 336 I CB 2.214 40.241 38.000 0.046 0.000 1.248 336 I HN 0.774 nan 8.210 nan 0.000 0.424 337 C N 8.409 127.645 119.300 -0.106 0.000 2.264 337 C HA 0.608 5.067 4.460 -0.001 0.000 0.324 337 C C -2.225 172.710 174.990 -0.093 0.000 1.267 337 C CA -1.977 56.941 59.018 -0.168 0.000 1.618 337 C CB 0.653 28.032 27.740 -0.602 0.000 2.278 337 C HN 0.466 nan 8.230 nan 0.000 0.499 338 P HA 0.150 nan 4.420 nan 0.000 0.274 338 P C 0.435 177.724 177.300 -0.019 0.000 1.256 338 P CA 0.206 63.305 63.100 -0.001 0.000 0.795 338 P CB 0.527 32.241 31.700 0.023 0.000 1.038 339 E N 0.511 120.714 120.200 0.004 0.000 2.153 339 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 339 E C 1.035 177.633 176.600 -0.003 0.000 0.988 339 E CA 1.287 57.689 56.400 0.003 0.000 0.811 339 E CB -0.611 29.114 29.700 0.042 0.000 0.746 339 E HN 0.358 nan 8.360 nan 0.000 0.466 340 E N 1.247 121.450 120.200 0.006 0.000 2.160 340 E HA -0.186 4.163 4.350 -0.001 0.000 0.195 340 E C 1.809 178.412 176.600 0.005 0.000 0.991 340 E CA 1.744 58.148 56.400 0.007 0.000 0.810 340 E CB -0.030 29.677 29.700 0.013 0.000 0.742 340 E HN 0.510 nan 8.360 nan 0.000 0.466 341 E N -0.129 120.075 120.200 0.006 0.000 2.127 341 E HA 0.024 4.374 4.350 -0.001 0.000 0.191 341 E C 1.683 178.274 176.600 -0.015 0.000 0.964 341 E CA 0.176 56.586 56.400 0.015 0.000 0.832 341 E CB 0.065 29.799 29.700 0.058 0.000 0.790 341 E HN 0.137 nan 8.360 nan 0.000 0.465 342 N N 1.018 119.684 118.700 -0.058 0.000 2.137 342 N HA -0.168 4.572 4.740 -0.001 0.000 0.190 342 N C 0.942 176.404 175.510 -0.081 0.000 1.017 342 N CA 0.809 53.794 53.050 -0.108 0.000 0.859 342 N CB -0.091 38.301 38.487 -0.159 0.000 1.002 342 N HN 0.092 nan 8.380 nan 0.000 0.428 343 M N 0.406 119.976 119.600 -0.050 0.000 2.576 343 M HA -0.243 4.236 4.480 -0.001 0.000 0.200 343 M C -0.984 175.287 176.300 -0.048 0.000 0.487 343 M CA 0.669 55.947 55.300 -0.037 0.000 0.553 343 M CB -1.602 30.979 32.600 -0.030 0.000 2.042 343 M HN 0.326 nan 8.290 nan 0.000 0.758 344 D N -0.870 119.490 120.400 -0.067 0.000 3.090 344 D HA -0.160 4.479 4.640 -0.001 0.000 0.215 344 D C 0.053 176.236 176.300 -0.196 0.000 1.140 344 D CA 1.461 55.416 54.000 -0.075 0.000 0.937 344 D CB -1.193 39.612 40.800 0.008 0.000 1.108 344 D HN 0.706 nan 8.370 nan 0.000 0.420 345 D N 1.275 121.545 120.400 -0.217 0.000 2.393 345 D HA 0.090 4.730 4.640 -0.001 0.000 0.232 345 D C 1.516 177.528 176.300 -0.480 0.000 1.192 345 D CA -0.056 53.797 54.000 -0.246 0.000 0.882 345 D CB 0.523 41.253 40.800 -0.116 0.000 1.038 345 D HN 0.370 nan 8.370 nan 0.000 0.499 346 Q N 2.707 121.990 119.800 -0.863 0.000 2.425 346 Q HA -0.015 4.324 4.340 -0.001 0.000 0.204 346 Q C -0.073 175.479 176.000 -0.747 0.000 0.933 346 Q CA -0.074 55.063 55.803 -1.111 0.000 0.939 346 Q CB -0.033 27.589 28.738 -1.860 0.000 1.044 346 Q HN 0.435 nan 8.270 nan 0.000 0.513 347 W N 1.786 122.992 121.300 -0.157 0.000 1.664 347 W HA 0.297 4.957 4.660 -0.001 0.000 0.428 347 W C 0.985 177.466 176.519 -0.064 0.000 0.726 347 W CA -0.924 56.390 57.345 -0.052 0.000 1.774 347 W CB 0.436 29.874 29.460 -0.036 0.000 1.801 347 W HN 0.187 nan 8.180 nan 0.000 0.243 348 M N 1.383 121.031 119.600 0.079 0.000 2.374 348 M HA -0.206 4.274 4.480 -0.001 0.000 0.264 348 M C 2.276 178.605 176.300 0.049 0.000 1.067 348 M CA 1.862 57.168 55.300 0.010 0.000 1.103 348 M CB -0.243 32.350 32.600 -0.012 0.000 1.402 348 M HN 0.293 nan 8.290 nan 0.000 0.444 349 Q N 0.190 120.043 119.800 0.088 0.000 2.226 349 Q HA -0.163 4.177 4.340 -0.001 0.000 0.204 349 Q C 1.021 177.050 176.000 0.049 0.000 0.975 349 Q CA 2.108 57.934 55.803 0.037 0.000 0.866 349 Q CB -0.191 28.548 28.738 0.001 0.000 0.915 349 Q HN 0.557 nan 8.270 nan 0.000 0.440 350 D N -0.891 119.535 120.400 0.044 0.000 2.324 350 D HA -0.030 4.610 4.640 -0.001 0.000 0.212 350 D C 1.316 177.497 176.300 -0.198 0.000 0.984 350 D CA 0.355 54.328 54.000 -0.046 0.000 0.885 350 D CB 0.102 40.896 40.800 -0.010 0.000 0.996 350 D HN 0.187 nan 8.370 nan 0.000 0.505 351 E N 0.195 120.301 120.200 -0.157 0.000 2.274 351 E HA 0.016 4.365 4.350 -0.001 0.000 0.194 351 E C 1.012 177.431 176.600 -0.301 0.000 0.996 351 E CA 0.351 56.599 56.400 -0.254 0.000 0.840 351 E CB 0.251 29.885 29.700 -0.109 0.000 0.772 351 E HN 0.439 nan 8.360 nan 0.000 0.491 352 M N -1.301 118.241 119.600 -0.098 0.000 2.644 352 M HA 0.589 5.068 4.480 -0.001 0.000 0.273 352 M C -1.491 174.998 176.300 0.315 0.000 1.253 352 M CA -0.860 54.486 55.300 0.077 0.000 0.852 352 M CB 2.872 35.485 32.600 0.021 0.000 1.708 352 M HN -0.290 nan 8.290 nan 0.000 0.471 353 E N 1.895 122.327 120.200 0.386 0.000 2.263 353 E HA 0.543 4.892 4.350 -0.001 0.000 0.268 353 E C -1.915 174.962 176.600 0.463 0.000 0.884 353 E CA -0.553 56.071 56.400 0.374 0.000 0.766 353 E CB 1.675 31.567 29.700 0.319 0.000 1.196 353 E HN 0.705 nan 8.360 nan 0.000 0.416 354 I N 4.387 125.179 120.570 0.370 0.000 2.297 354 I HA 0.527 4.697 4.170 -0.001 0.000 0.291 354 I C 0.840 177.163 176.117 0.343 0.000 1.033 354 I CA -0.218 61.329 61.300 0.412 0.000 1.253 354 I CB 0.285 38.506 38.000 0.367 0.000 1.396 354 I HN 0.627 nan 8.210 nan 0.000 0.476 355 G N 6.203 115.236 108.800 0.388 0.000 3.119 355 G HA2 0.721 4.680 3.960 -0.001 0.000 0.206 355 G HA3 0.721 4.680 3.960 -0.001 0.000 0.206 355 G C -1.301 173.657 174.900 0.097 0.000 1.313 355 G CA -0.351 44.695 45.100 -0.091 0.000 1.010 355 G HN 0.562 nan 8.290 nan 0.000 0.578 356 Y N -1.715 118.424 120.300 -0.269 0.000 2.670 356 Y HA 0.747 5.296 4.550 -0.001 0.000 0.334 356 Y C -0.792 175.104 175.900 -0.007 0.000 1.185 356 Y CA -1.729 56.337 58.100 -0.057 0.000 1.053 356 Y CB 1.217 39.647 38.460 -0.050 0.000 1.298 356 Y HN 0.723 nan 8.280 nan 0.000 0.459 357 I N 0.260 120.956 120.570 0.210 0.000 2.785 357 I HA 0.723 4.893 4.170 -0.001 0.000 0.302 357 I C -1.375 174.959 176.117 0.361 0.000 1.069 357 I CA -1.046 60.365 61.300 0.185 0.000 1.045 357 I CB 2.405 40.565 38.000 0.266 0.000 1.236 357 I HN 0.851 nan 8.210 nan 0.000 0.429 358 Q N 4.099 124.154 119.800 0.426 0.000 2.271 358 Q HA 0.791 5.131 4.340 -0.001 0.000 0.268 358 Q C -2.101 174.327 176.000 0.714 0.000 1.021 358 Q CA -0.628 55.512 55.803 0.563 0.000 0.802 358 Q CB 2.434 31.602 28.738 0.718 0.000 1.282 358 Q HN 1.062 nan 8.270 nan 0.000 0.431 359 A N 3.971 127.036 122.820 0.407 0.000 2.527 359 A HA 0.718 5.038 4.320 -0.001 0.000 0.293 359 A C -2.506 175.154 177.584 0.127 0.000 1.117 359 A CA -1.513 50.660 52.037 0.227 0.000 0.723 359 A CB 1.370 20.287 19.000 -0.139 0.000 1.313 359 A HN 0.665 nan 8.150 nan 0.000 0.411 360 P HA -0.181 nan 4.420 nan 0.000 0.218 360 P C 0.905 178.278 177.300 0.121 0.000 1.148 360 P CA 1.897 65.066 63.100 0.115 0.000 0.822 360 P CB -0.090 31.592 31.700 -0.030 0.000 0.784 361 H N -2.195 116.936 119.070 0.102 0.000 2.544 361 H HA 0.307 4.862 4.556 -0.001 0.000 0.269 361 H C 0.321 175.719 175.328 0.117 0.000 0.970 361 H CA 0.523 56.630 56.048 0.098 0.000 1.219 361 H CB 0.228 30.043 29.762 0.088 0.000 1.421 361 H HN -0.071 nan 8.280 nan 0.000 0.555 362 K N 0.769 121.055 120.400 -0.190 0.000 2.580 362 K HA 0.276 4.596 4.320 -0.001 0.000 0.258 362 K C -1.780 174.822 176.600 0.004 0.000 0.936 362 K CA -0.230 56.025 56.287 -0.054 0.000 0.852 362 K CB 1.928 34.431 32.500 0.005 0.000 1.329 362 K HN 0.059 nan 8.250 nan 0.000 0.430 363 T N 4.606 119.203 114.554 0.072 0.000 2.848 363 T HA 0.766 5.115 4.350 -0.001 0.000 0.285 363 T C -1.149 173.608 174.700 0.095 0.000 0.995 363 T CA -0.703 61.471 62.100 0.124 0.000 0.970 363 T CB 0.428 69.360 68.868 0.106 0.000 0.976 363 T HN 0.529 nan 8.240 nan 0.000 0.441 364 L N 1.499 122.801 121.223 0.132 0.000 2.465 364 L HA 0.866 5.206 4.340 -0.001 0.000 0.257 364 L C -3.011 173.899 176.870 0.067 0.000 0.988 364 L CA -2.763 52.115 54.840 0.063 0.000 0.827 364 L CB 1.988 44.092 42.059 0.075 0.000 1.397 364 L HN 0.253 nan 8.230 nan 0.000 0.410 365 P HA 0.249 nan 4.420 nan 0.000 0.275 365 P C -1.044 176.247 177.300 -0.015 0.000 1.227 365 P CA -0.181 62.789 63.100 -0.217 0.000 0.781 365 P CB 1.792 32.996 31.700 -0.827 0.000 0.906 366 V N 3.396 123.494 119.914 0.305 0.000 2.686 366 V HA 0.205 4.324 4.120 -0.001 0.000 0.306 366 V C 0.042 176.506 176.094 0.617 0.000 1.065 366 V CA -0.821 61.786 62.300 0.512 0.000 0.894 366 V CB 2.480 34.624 31.823 0.535 0.000 1.004 366 V HN 0.242 nan 8.190 nan 0.000 0.424 367 V N 5.108 125.308 119.914 0.477 0.000 2.407 367 V HA 0.391 4.510 4.120 -0.001 0.000 0.278 367 V C -0.391 175.708 176.094 0.008 0.000 1.037 367 V CA -0.430 62.050 62.300 0.300 0.000 0.900 367 V CB 1.356 33.275 31.823 0.160 0.000 0.983 367 V HN 0.670 nan 8.190 nan 0.000 0.459 368 F N 5.047 124.870 119.950 -0.212 0.000 2.404 368 F HA 0.450 4.977 4.527 -0.000 0.000 0.358 368 F C 0.053 175.752 175.800 -0.168 0.000 1.120 368 F CA -1.619 56.058 58.000 -0.538 0.000 1.144 368 F CB 0.884 39.297 39.000 -0.977 0.000 1.133 368 F HN 0.543 nan 8.300 nan 0.000 0.495 369 D N 4.319 124.538 120.400 -0.301 0.000 2.373 369 D HA 0.123 4.763 4.640 -0.001 0.000 0.227 369 D C -0.330 175.613 176.300 -0.595 0.000 1.091 369 D CA 0.040 53.829 54.000 -0.352 0.000 0.840 369 D CB 1.218 41.861 40.800 -0.260 0.000 1.060 369 D HN 0.460 nan 8.370 nan 0.000 0.502 370 S N 4.186 119.329 115.700 -0.929 0.000 2.576 370 S HA 0.236 4.706 4.470 -0.001 0.000 0.276 370 S C -1.470 172.731 174.600 -0.666 0.000 1.339 370 S CA -1.006 56.392 58.200 -1.336 0.000 1.039 370 S CB 1.133 63.097 63.200 -2.060 0.000 0.902 370 S HN 0.402 nan 8.310 nan 0.000 0.516 371 P HA -0.043 nan 4.420 nan 0.000 0.242 371 P C 1.035 178.171 177.300 -0.274 0.000 1.197 371 P CA 0.342 63.249 63.100 -0.322 0.000 0.765 371 P CB -0.191 31.340 31.700 -0.282 0.000 0.936 372 R N 0.427 120.734 120.500 -0.322 0.000 2.139 372 R HA -0.148 4.192 4.340 -0.001 0.000 0.243 372 R C 0.544 176.747 176.300 -0.163 0.000 1.145 372 R CA 1.121 57.086 56.100 -0.225 0.000 0.976 372 R CB -1.537 28.623 30.300 -0.232 0.000 0.866 372 R HN -0.085 nan 8.270 nan 0.000 0.449 373 N N 1.188 119.789 118.700 -0.166 0.000 2.688 373 N HA -0.183 4.557 4.740 -0.001 0.000 0.258 373 N C -0.749 174.712 175.510 -0.080 0.000 1.016 373 N CA 1.288 54.270 53.050 -0.113 0.000 0.747 373 N CB -0.646 37.780 38.487 -0.101 0.000 0.895 373 N HN 0.543 nan 8.380 nan 0.000 0.543 374 R N -0.196 120.261 120.500 -0.072 0.000 2.465 374 R HA 0.457 4.797 4.340 -0.001 0.000 0.198 374 R C 2.038 178.315 176.300 -0.038 0.000 1.188 374 R CA 0.015 56.088 56.100 -0.045 0.000 1.080 374 R CB -0.493 29.792 30.300 -0.025 0.000 1.862 374 R HN 0.193 nan 8.270 nan 0.000 0.517 375 G N 0.745 109.526 108.800 -0.033 0.000 2.422 375 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.218 375 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.218 375 G C 0.988 175.865 174.900 -0.039 0.000 1.146 375 G CA 0.507 45.583 45.100 -0.040 0.000 0.769 375 G HN 0.087 nan 8.290 nan 0.000 0.547 376 L N 0.915 122.111 121.223 -0.044 0.000 2.622 376 L HA 0.143 4.482 4.340 -0.001 0.000 0.233 376 L C 2.356 179.244 176.870 0.029 0.000 1.156 376 L CA 0.633 55.460 54.840 -0.022 0.000 0.866 376 L CB -0.828 41.202 42.059 -0.048 0.000 0.980 376 L HN 0.288 nan 8.230 nan 0.000 0.448 377 K N 0.156 120.553 120.400 -0.005 0.000 2.077 377 K HA -0.232 4.087 4.320 -0.001 0.000 0.213 377 K C 1.477 178.084 176.600 0.011 0.000 1.051 377 K CA 1.691 57.968 56.287 -0.016 0.000 0.929 377 K CB 0.314 32.795 32.500 -0.031 0.000 0.715 377 K HN 0.290 nan 8.250 nan 0.000 0.451 378 E N -0.290 119.927 120.200 0.028 0.000 2.299 378 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 378 E C 1.667 178.290 176.600 0.039 0.000 0.998 378 E CA 0.319 56.729 56.400 0.016 0.000 0.851 378 E CB -0.259 29.447 29.700 0.010 0.000 0.795 378 E HN 0.316 nan 8.360 nan 0.000 0.492 379 F N 2.512 122.430 119.950 -0.052 0.000 2.120 379 F HA -0.130 4.397 4.527 -0.001 0.000 0.300 379 F C -0.898 174.867 175.800 -0.059 0.000 1.095 379 F CA 1.274 59.243 58.000 -0.051 0.000 1.249 379 F CB -1.021 37.948 39.000 -0.052 0.000 0.995 379 F HN 0.057 nan 8.300 nan 0.000 0.480 380 P HA -0.104 nan 4.420 nan 0.000 0.217 380 P C 1.917 179.138 177.300 -0.130 0.000 1.151 380 P CA 1.741 64.742 63.100 -0.166 0.000 0.828 380 P CB -0.288 31.439 31.700 0.046 0.000 0.788 381 I N -2.104 118.396 120.570 -0.116 0.000 2.353 381 I HA -0.066 4.103 4.170 -0.001 0.000 0.248 381 I C 1.810 177.789 176.117 -0.229 0.000 1.119 381 I CA 1.833 62.977 61.300 -0.261 0.000 1.417 381 I CB -0.400 37.395 38.000 -0.342 0.000 1.078 381 I HN -0.275 nan 8.210 nan 0.000 0.421 382 K N -0.152 120.130 120.400 -0.198 0.000 2.242 382 K HA 0.134 4.453 4.320 -0.001 0.000 0.200 382 K C 1.924 178.403 176.600 -0.202 0.000 1.050 382 K CA 0.413 56.603 56.287 -0.162 0.000 0.981 382 K CB 0.244 32.687 32.500 -0.096 0.000 0.795 382 K HN 0.250 nan 8.250 nan 0.000 0.477 383 R N -0.302 119.983 120.500 -0.359 0.000 2.221 383 R HA 0.116 4.455 4.340 -0.001 0.000 0.195 383 R C 2.036 178.046 176.300 -0.483 0.000 0.956 383 R CA 0.477 56.323 56.100 -0.422 0.000 1.064 383 R CB 0.106 30.014 30.300 -0.653 0.000 1.049 383 R HN -0.016 nan 8.270 nan 0.000 0.534 384 V N 1.184 120.724 119.914 -0.624 0.000 2.521 384 V HA 0.155 4.274 4.120 -0.001 0.000 0.239 384 V C 1.495 177.176 176.094 -0.689 0.000 1.053 384 V CA 0.228 62.079 62.300 -0.749 0.000 1.073 384 V CB -0.199 31.149 31.823 -0.793 0.000 0.746 384 V HN 0.170 nan 8.190 nan 0.000 0.476 385 M N 0.860 120.264 119.600 -0.326 0.000 2.251 385 M HA 0.434 4.913 4.480 -0.001 0.000 0.343 385 M C 0.277 176.547 176.300 -0.050 0.000 1.245 385 M CA 1.522 56.779 55.300 -0.072 0.000 1.061 385 M CB 0.133 32.714 32.600 -0.032 0.000 1.723 385 M HN 0.414 nan 8.290 nan 0.000 0.449 386 G N 4.027 112.880 108.800 0.088 0.000 2.336 386 G HA2 0.266 4.225 3.960 -0.001 0.000 0.286 386 G HA3 0.266 4.225 3.960 -0.001 0.000 0.286 386 G C -3.370 171.618 174.900 0.147 0.000 1.269 386 G CA -1.106 44.044 45.100 0.084 0.000 0.873 386 G HN 0.413 nan 8.290 nan 0.000 0.494 387 P HA 0.217 nan 4.420 nan 0.000 0.255 387 P C -0.567 176.827 177.300 0.156 0.000 1.173 387 P CA 0.929 64.096 63.100 0.113 0.000 0.780 387 P CB 0.159 31.909 31.700 0.082 0.000 0.758 388 D N 0.898 121.382 120.400 0.140 0.000 2.870 388 D HA -0.231 4.409 4.640 -0.001 0.000 0.228 388 D C -0.638 175.750 176.300 0.148 0.000 1.147 388 D CA 1.209 55.282 54.000 0.122 0.000 0.757 388 D CB -1.446 39.398 40.800 0.074 0.000 1.091 388 D HN 0.411 nan 8.370 nan 0.000 0.429 389 F N 0.217 120.235 119.950 0.114 0.000 2.659 389 F HA 0.448 4.974 4.527 -0.001 0.000 0.342 389 F C 0.963 176.861 175.800 0.164 0.000 1.168 389 F CA -0.588 57.495 58.000 0.139 0.000 1.003 389 F CB 1.228 40.298 39.000 0.118 0.000 1.267 389 F HN -0.086 nan 8.300 nan 0.000 0.463 390 G N 2.973 112.059 108.800 0.476 0.000 2.616 390 G HA2 0.210 4.170 3.960 -0.001 0.000 0.268 390 G HA3 0.210 4.170 3.960 -0.001 0.000 0.268 390 G C -2.168 173.004 174.900 0.454 0.000 1.213 390 G CA -0.101 45.246 45.100 0.412 0.000 0.926 390 G HN 0.623 nan 8.290 nan 0.000 0.523 391 Y N -0.678 119.757 120.300 0.225 0.000 2.504 391 Y HA 0.564 5.113 4.550 -0.001 0.000 0.344 391 Y C -0.795 175.170 175.900 0.107 0.000 1.023 391 Y CA -0.753 57.428 58.100 0.134 0.000 1.020 391 Y CB 2.113 40.613 38.460 0.067 0.000 1.282 391 Y HN 0.515 nan 8.280 nan 0.000 0.454 392 V N 3.537 123.049 119.914 -0.669 0.000 3.087 392 V HA 0.750 4.870 4.120 -0.001 0.000 0.306 392 V C -0.706 174.922 176.094 -0.777 0.000 1.187 392 V CA -0.766 61.189 62.300 -0.575 0.000 0.999 392 V CB 1.786 33.153 31.823 -0.761 0.000 1.049 392 V HN 0.842 nan 8.190 nan 0.000 0.431 393 T N 1.981 116.283 114.554 -0.420 0.000 2.843 393 T HA 0.775 5.125 4.350 -0.001 0.000 0.302 393 T C -1.516 173.085 174.700 -0.165 0.000 1.232 393 T CA -0.577 61.381 62.100 -0.238 0.000 1.009 393 T CB 2.013 70.785 68.868 -0.160 0.000 1.254 393 T HN 0.703 nan 8.240 nan 0.000 0.504 394 R N 0.250 120.687 120.500 -0.105 0.000 2.781 394 R HA 0.784 5.123 4.340 -0.001 0.000 0.269 394 R C 0.059 176.272 176.300 -0.145 0.000 1.025 394 R CA 0.159 56.197 56.100 -0.104 0.000 0.914 394 R CB 1.072 31.329 30.300 -0.071 0.000 1.236 394 R HN 1.342 nan 8.270 nan 0.000 0.465 395 G N 1.429 110.132 108.800 -0.161 0.000 2.746 395 G HA2 -0.152 3.808 3.960 -0.001 0.000 0.685 395 G HA3 -0.152 3.808 3.960 -0.001 0.000 0.685 395 G C -2.717 172.000 174.900 -0.305 0.000 1.350 395 G CA -0.968 43.921 45.100 -0.352 0.000 0.837 395 G HN 0.453 nan 8.290 nan 0.000 0.564 396 P HA 0.261 nan 4.420 nan 0.000 0.276 396 P C 0.237 177.435 177.300 -0.169 0.000 1.235 396 P CA -0.078 62.893 63.100 -0.215 0.000 0.772 396 P CB 1.283 32.870 31.700 -0.189 0.000 0.871 397 Q N 1.534 121.263 119.800 -0.117 0.000 2.451 397 Q HA 0.017 4.357 4.340 -0.001 0.000 0.206 397 Q C 1.133 177.083 176.000 -0.084 0.000 0.947 397 Q CA 1.109 56.852 55.803 -0.101 0.000 0.937 397 Q CB -0.046 28.646 28.738 -0.076 0.000 1.025 397 Q HN 0.637 nan 8.270 nan 0.000 0.511 398 T N -3.884 110.625 114.554 -0.074 0.000 3.275 398 T HA 0.552 4.901 4.350 -0.001 0.000 0.298 398 T C 0.441 175.111 174.700 -0.051 0.000 0.988 398 T CA 0.141 62.207 62.100 -0.057 0.000 0.936 398 T CB 0.809 69.651 68.868 -0.044 0.000 1.159 398 T HN 0.229 nan 8.240 nan 0.000 0.519 399 G N -0.784 107.980 108.800 -0.059 0.000 2.361 399 G HA2 0.473 4.433 3.960 -0.001 0.000 0.305 399 G HA3 0.473 4.433 3.960 -0.001 0.000 0.305 399 G C 0.221 175.097 174.900 -0.039 0.000 1.367 399 G CA 0.005 45.077 45.100 -0.046 0.000 0.951 399 G HN 1.410 nan 8.290 nan 0.000 0.615 400 G N -1.444 107.346 108.800 -0.017 0.000 2.182 400 G HA2 0.115 4.075 3.960 -0.001 0.000 0.248 400 G HA3 0.115 4.075 3.960 -0.001 0.000 0.248 400 G C -0.118 174.809 174.900 0.044 0.000 1.042 400 G CA 0.843 45.956 45.100 0.022 0.000 0.775 400 G HN 1.488 nan 8.290 nan 0.000 0.501 401 I N 0.953 121.522 120.570 -0.003 0.000 2.646 401 I HA 0.782 4.951 4.170 -0.001 0.000 0.299 401 I C 0.593 176.700 176.117 -0.016 0.000 1.036 401 I CA -0.846 60.445 61.300 -0.016 0.000 1.074 401 I CB 2.105 40.059 38.000 -0.076 0.000 1.258 401 I HN 0.496 nan 8.210 nan 0.000 0.430 402 S N 2.620 118.316 115.700 -0.006 0.000 2.715 402 S HA 0.635 5.104 4.470 -0.001 0.000 0.307 402 S C 0.917 175.508 174.600 -0.015 0.000 1.119 402 S CA -0.116 58.074 58.200 -0.017 0.000 0.937 402 S CB 1.179 64.377 63.200 -0.004 0.000 1.150 402 S HN 0.770 nan 8.310 nan 0.000 0.521 403 G N -0.079 108.714 108.800 -0.011 0.000 2.498 403 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.219 403 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.219 403 G C 0.992 175.984 174.900 0.153 0.000 1.119 403 G CA 0.389 45.514 45.100 0.041 0.000 0.766 403 G HN 0.643 nan 8.290 nan 0.000 0.552 404 L N 0.420 121.708 121.223 0.107 0.000 2.610 404 L HA 0.078 4.418 4.340 -0.001 0.000 0.232 404 L C 1.355 178.279 176.870 0.090 0.000 1.149 404 L CA 0.556 55.486 54.840 0.151 0.000 0.872 404 L CB -0.188 41.964 42.059 0.154 0.000 0.992 404 L HN 0.149 nan 8.230 nan 0.000 0.447 405 D N 0.182 120.598 120.400 0.026 0.000 2.348 405 D HA -0.010 4.629 4.640 -0.001 0.000 0.211 405 D C 1.165 177.369 176.300 -0.160 0.000 0.998 405 D CA 0.242 54.226 54.000 -0.027 0.000 0.873 405 D CB 0.466 41.218 40.800 -0.080 0.000 0.925 405 D HN 0.297 nan 8.370 nan 0.000 0.524 406 S N -0.360 115.236 115.700 -0.174 0.000 2.565 406 S HA 0.201 4.670 4.470 -0.001 0.000 0.274 406 S C 0.638 175.127 174.600 -0.184 0.000 1.309 406 S CA -0.642 57.379 58.200 -0.298 0.000 1.043 406 S CB 0.585 63.652 63.200 -0.221 0.000 0.939 406 S HN 0.103 nan 8.310 nan 0.000 0.504 407 F N 0.873 120.662 119.950 -0.268 0.000 2.692 407 F HA 0.219 4.746 4.527 -0.000 0.000 0.303 407 F C 2.204 177.919 175.800 -0.143 0.000 1.114 407 F CA -0.540 57.347 58.000 -0.187 0.000 1.361 407 F CB -0.119 38.796 39.000 -0.142 0.000 1.063 407 F HN 0.891 nan 8.300 nan 0.000 0.550 408 G N 0.246 108.982 108.800 -0.107 0.000 2.443 408 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.219 408 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.219 408 G C 1.253 176.121 174.900 -0.053 0.000 1.131 408 G CA 0.414 45.480 45.100 -0.056 0.000 0.775 408 G HN 0.214 nan 8.290 nan 0.000 0.547 409 N N -0.479 118.078 118.700 -0.239 0.000 2.434 409 N HA 0.102 4.842 4.740 -0.001 0.000 0.196 409 N C -0.465 175.123 175.510 0.129 0.000 1.183 409 N CA -0.159 52.908 53.050 0.029 0.000 0.849 409 N CB -0.026 38.504 38.487 0.072 0.000 0.992 409 N HN 0.187 nan 8.380 nan 0.000 0.460 410 L N 0.510 121.791 121.223 0.096 0.000 2.377 410 L HA 0.525 4.865 4.340 -0.001 0.000 0.270 410 L C -1.065 175.862 176.870 0.095 0.000 0.991 410 L CA -0.224 54.656 54.840 0.067 0.000 0.851 410 L CB 1.063 43.012 42.059 -0.182 0.000 1.218 410 L HN -0.108 nan 8.230 nan 0.000 0.420 411 E N 3.252 123.522 120.200 0.118 0.000 2.431 411 E HA 0.812 5.161 4.350 -0.001 0.000 0.268 411 E C -1.324 175.321 176.600 0.075 0.000 0.953 411 E CA -0.624 55.842 56.400 0.110 0.000 0.810 411 E CB 2.415 32.184 29.700 0.116 0.000 1.369 411 E HN 0.278 nan 8.360 nan 0.000 0.440 412 V N -0.818 119.114 119.914 0.031 0.000 2.971 412 V HA 0.565 4.684 4.120 -0.001 0.000 0.309 412 V C 0.110 176.077 176.094 -0.212 0.000 1.130 412 V CA -1.139 61.129 62.300 -0.054 0.000 0.964 412 V CB 1.484 33.274 31.823 -0.054 0.000 1.029 412 V HN 0.756 nan 8.190 nan 0.000 0.427 413 S N 2.442 117.932 115.700 -0.349 0.000 2.669 413 S HA 0.720 5.189 4.470 -0.001 0.000 0.270 413 S C -2.561 171.627 174.600 -0.686 0.000 1.225 413 S CA -1.218 56.482 58.200 -0.833 0.000 0.991 413 S CB 1.275 64.090 63.200 -0.643 0.000 0.987 413 S HN 0.631 nan 8.310 nan 0.000 0.552 414 P HA 0.361 nan 4.420 nan 0.000 0.274 414 P C -2.621 174.465 177.300 -0.356 0.000 1.246 414 P CA -1.413 61.365 63.100 -0.537 0.000 0.795 414 P CB -0.779 30.480 31.700 -0.735 0.000 1.006 415 P HA 0.001 nan 4.420 nan 0.000 0.264 415 P C -0.637 176.636 177.300 -0.045 0.000 1.179 415 P CA 0.928 63.933 63.100 -0.159 0.000 0.763 415 P CB 0.249 31.870 31.700 -0.132 0.000 0.806 416 V N 3.106 123.005 119.914 -0.024 0.000 3.000 416 V HA 0.331 4.450 4.120 -0.001 0.000 0.300 416 V C -0.836 175.316 176.094 0.096 0.000 1.251 416 V CA -0.277 62.063 62.300 0.067 0.000 0.972 416 V CB 2.795 34.632 31.823 0.022 0.000 1.065 416 V HN 0.432 nan 8.190 nan 0.000 0.431 417 T N 4.694 119.299 114.554 0.085 0.000 2.797 417 T HA 0.640 4.990 4.350 -0.001 0.000 0.279 417 T C -0.775 173.981 174.700 0.094 0.000 0.991 417 T CA -0.368 61.772 62.100 0.067 0.000 0.979 417 T CB 1.529 70.402 68.868 0.009 0.000 0.943 417 T HN 0.473 nan 8.240 nan 0.000 0.444 418 V N 5.202 125.189 119.914 0.121 0.000 2.305 418 V HA 0.417 4.537 4.120 -0.001 0.000 0.275 418 V C 0.226 176.358 176.094 0.063 0.000 1.020 418 V CA -1.020 61.346 62.300 0.111 0.000 0.811 418 V CB 0.516 32.450 31.823 0.186 0.000 1.031 418 V HN 0.940 nan 8.190 nan 0.000 0.439 419 R N 3.579 124.098 120.500 0.033 0.000 3.146 419 R HA -0.234 4.106 4.340 -0.001 0.000 0.250 419 R C 1.371 177.671 176.300 0.001 0.000 0.912 419 R CA 0.703 56.811 56.100 0.014 0.000 0.633 419 R CB -1.564 28.744 30.300 0.013 0.000 1.180 419 R HN 1.450 nan 8.270 nan 0.000 0.464 420 G N -0.132 108.663 108.800 -0.008 0.000 2.498 420 G HA2 -0.453 3.506 3.960 -0.001 0.000 0.229 420 G HA3 -0.453 3.506 3.960 -0.001 0.000 0.229 420 G C 0.231 175.094 174.900 -0.061 0.000 1.156 420 G CA 0.629 45.712 45.100 -0.029 0.000 0.680 420 G HN 0.473 nan 8.290 nan 0.000 0.512 421 K N 2.157 122.514 120.400 -0.072 0.000 2.378 421 K HA 0.438 4.758 4.320 -0.001 0.000 0.288 421 K C 0.351 176.781 176.600 -0.283 0.000 1.057 421 K CA 0.079 56.252 56.287 -0.191 0.000 0.971 421 K CB 0.404 32.781 32.500 -0.205 0.000 0.975 421 K HN 0.500 nan 8.250 nan 0.000 0.475 422 E N 4.286 124.281 120.200 -0.342 0.000 2.259 422 E HA 0.055 4.404 4.350 -0.001 0.000 0.281 422 E C -1.365 174.886 176.600 -0.580 0.000 1.027 422 E CA -0.568 55.639 56.400 -0.321 0.000 0.838 422 E CB 0.544 30.107 29.700 -0.230 0.000 1.066 422 E HN 0.560 nan 8.360 nan 0.000 0.401 423 Y N 5.751 125.932 120.300 -0.198 0.000 2.919 423 Y HA 0.260 4.811 4.550 0.001 0.000 0.341 423 Y C -1.718 173.963 175.900 -0.364 0.000 1.045 423 Y CA -2.044 55.910 58.100 -0.245 0.000 1.218 423 Y CB 1.467 39.812 38.460 -0.191 0.000 1.137 423 Y HN 0.586 nan 8.280 nan 0.000 0.577 424 P HA -0.010 nan 4.420 nan 0.000 0.245 424 P C 0.401 177.189 177.300 -0.854 0.000 1.212 424 P CA 0.909 63.573 63.100 -0.728 0.000 0.774 424 P CB 0.517 31.376 31.700 -1.400 0.000 0.999 425 L N -1.778 119.038 121.223 -0.678 0.000 3.014 425 L HA 0.424 4.764 4.340 -0.001 0.000 0.263 425 L C 1.227 177.814 176.870 -0.471 0.000 1.207 425 L CA -0.092 54.188 54.840 -0.934 0.000 1.017 425 L CB -0.327 41.449 42.059 -0.473 0.000 1.360 425 L HN 0.018 nan 8.230 nan 0.000 0.560 426 G N 1.429 110.035 108.800 -0.322 0.000 2.645 426 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.246 426 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.246 426 G C -0.369 174.426 174.900 -0.175 0.000 1.322 426 G CA -0.351 44.620 45.100 -0.214 0.000 0.898 426 G HN 0.318 nan 8.290 nan 0.000 0.573 427 R N -1.078 119.294 120.500 -0.213 0.000 2.533 427 R HA 0.584 4.923 4.340 -0.001 0.000 0.288 427 R C 0.291 176.518 176.300 -0.121 0.000 1.039 427 R CA -0.781 55.194 56.100 -0.208 0.000 0.909 427 R CB 1.021 31.117 30.300 -0.340 0.000 1.195 427 R HN 0.597 nan 8.270 nan 0.000 0.438 428 I N 4.385 124.924 120.570 -0.052 0.000 2.710 428 I HA 0.009 4.179 4.170 -0.001 0.000 0.286 428 I C -0.408 175.746 176.117 0.061 0.000 1.181 428 I CA 0.219 61.539 61.300 0.034 0.000 1.430 428 I CB 0.410 38.466 38.000 0.093 0.000 1.367 428 I HN 0.281 nan 8.210 nan 0.000 0.577 429 L N 8.083 129.363 121.223 0.095 0.000 2.356 429 L HA 0.550 4.890 4.340 -0.001 0.000 0.277 429 L C -0.535 176.446 176.870 0.185 0.000 0.996 429 L CA -0.395 54.488 54.840 0.071 0.000 0.822 429 L CB 1.146 43.248 42.059 0.071 0.000 1.256 429 L HN 0.429 nan 8.230 nan 0.000 0.413 430 F N 0.169 120.166 119.950 0.079 0.000 2.626 430 F HA 0.913 5.439 4.527 -0.001 0.000 0.311 430 F C 0.181 176.064 175.800 0.138 0.000 1.088 430 F CA -1.193 56.863 58.000 0.093 0.000 0.949 430 F CB 1.560 40.610 39.000 0.083 0.000 1.322 430 F HN 0.491 nan 8.300 nan 0.000 0.461 431 G N 1.317 110.316 108.800 0.332 0.000 2.356 431 G HA2 0.482 4.442 3.960 -0.001 0.000 0.298 431 G HA3 0.482 4.442 3.960 -0.001 0.000 0.298 431 G C -1.689 173.393 174.900 0.302 0.000 1.145 431 G CA -0.253 45.004 45.100 0.261 0.000 0.850 431 G HN 0.829 nan 8.290 nan 0.000 0.487 432 D N -0.431 120.114 120.400 0.241 0.000 2.732 432 D HA 0.522 5.161 4.640 -0.001 0.000 0.292 432 D C 0.472 176.948 176.300 0.292 0.000 1.135 432 D CA -0.308 53.837 54.000 0.241 0.000 1.071 432 D CB 2.225 43.138 40.800 0.189 0.000 1.457 432 D HN 0.465 nan 8.370 nan 0.000 0.547 433 S N -0.942 114.886 115.700 0.214 0.000 2.681 433 S HA 0.219 4.688 4.470 -0.001 0.000 0.270 433 S C 1.290 175.905 174.600 0.025 0.000 1.209 433 S CA -0.502 57.820 58.200 0.202 0.000 0.988 433 S CB 1.001 64.222 63.200 0.035 0.000 1.006 433 S HN 0.616 nan 8.310 nan 0.000 0.558 434 C N -0.250 118.876 119.300 -0.289 0.000 2.485 434 C HA 0.286 4.746 4.460 -0.001 0.000 0.277 434 C C 0.477 175.460 174.990 -0.013 0.000 1.376 434 C CA -0.135 58.701 59.018 -0.303 0.000 1.759 434 C CB -1.732 25.602 27.740 -0.677 0.000 1.970 434 C HN 0.862 nan 8.230 nan 0.000 0.509 435 Y N -0.958 119.267 120.300 -0.125 0.000 2.571 435 Y HA 0.659 5.208 4.550 -0.001 0.000 0.341 435 Y C -3.159 172.729 175.900 -0.020 0.000 1.076 435 Y CA -2.994 55.071 58.100 -0.059 0.000 1.029 435 Y CB 0.109 38.526 38.460 -0.072 0.000 1.308 435 Y HN -0.220 nan 8.280 nan 0.000 0.461 436 P HA 0.279 nan 4.420 nan 0.000 0.282 436 P C -0.776 176.513 177.300 -0.019 0.000 1.274 436 P CA 0.040 63.130 63.100 -0.018 0.000 0.770 436 P CB 1.588 33.315 31.700 0.046 0.000 0.867 437 S N 2.307 117.930 115.700 -0.128 0.000 2.811 437 S HA 0.359 4.829 4.470 -0.001 0.000 0.311 437 S C 0.997 175.572 174.600 -0.042 0.000 1.152 437 S CA -0.702 57.464 58.200 -0.057 0.000 0.864 437 S CB 0.597 63.724 63.200 -0.121 0.000 1.226 437 S HN 0.151 nan 8.310 nan 0.000 0.541 438 N N 1.296 119.986 118.700 -0.016 0.000 2.223 438 N HA -0.030 4.709 4.740 -0.001 0.000 0.185 438 N C 0.393 175.879 175.510 -0.039 0.000 1.016 438 N CA 1.439 54.479 53.050 -0.017 0.000 0.863 438 N CB -0.375 38.111 38.487 -0.001 0.000 0.983 438 N HN 0.592 nan 8.380 nan 0.000 0.429 439 D N -0.786 119.582 120.400 -0.053 0.000 2.369 439 D HA 0.039 4.679 4.640 -0.001 0.000 0.211 439 D C 0.175 176.422 176.300 -0.088 0.000 1.077 439 D CA 0.122 54.079 54.000 -0.072 0.000 0.842 439 D CB 0.104 40.875 40.800 -0.048 0.000 0.947 439 D HN 0.174 nan 8.370 nan 0.000 0.509 440 S N 0.268 115.914 115.700 -0.091 0.000 2.586 440 S HA 0.501 4.971 4.470 -0.001 0.000 0.274 440 S C 0.316 174.886 174.600 -0.050 0.000 1.281 440 S CA -0.793 57.358 58.200 -0.083 0.000 1.035 440 S CB 2.071 65.192 63.200 -0.131 0.000 0.962 440 S HN -0.074 nan 8.310 nan 0.000 0.512 441 R N 1.197 121.683 120.500 -0.024 0.000 2.668 441 R HA 0.541 4.880 4.340 -0.001 0.000 0.279 441 R C -0.505 175.823 176.300 0.047 0.000 0.976 441 R CA -0.786 55.314 56.100 0.000 0.000 0.978 441 R CB 1.502 31.796 30.300 -0.010 0.000 1.133 441 R HN 0.906 nan 8.270 nan 0.000 0.484 442 Q N 1.016 120.852 119.800 0.060 0.000 2.456 442 Q HA 0.392 4.732 4.340 -0.001 0.000 0.284 442 Q C -0.818 175.247 176.000 0.109 0.000 1.061 442 Q CA -0.980 54.889 55.803 0.111 0.000 0.799 442 Q CB 1.974 30.770 28.738 0.097 0.000 1.445 442 Q HN 0.523 nan 8.270 nan 0.000 0.411 443 M N 2.384 122.075 119.600 0.151 0.000 2.252 443 M HA 0.101 4.581 4.480 -0.001 0.000 0.333 443 M C -0.304 176.040 176.300 0.072 0.000 1.111 443 M CA -0.172 55.184 55.300 0.093 0.000 1.140 443 M CB 0.672 33.275 32.600 0.005 0.000 1.538 443 M HN 0.848 nan 8.290 nan 0.000 0.448 444 H N 3.098 122.165 119.070 -0.006 0.000 2.897 444 H HA -0.049 4.506 4.556 -0.001 0.000 0.347 444 H C 0.360 175.688 175.328 0.001 0.000 1.068 444 H CA 0.573 56.620 56.048 -0.002 0.000 1.426 444 H CB 1.200 30.952 29.762 -0.016 0.000 1.410 444 H HN 0.880 nan 8.280 nan 0.000 0.597 445 Q N 4.152 123.786 119.800 -0.277 0.000 2.135 445 Q HA -0.107 4.233 4.340 -0.001 0.000 0.204 445 Q C 2.045 178.100 176.000 0.092 0.000 0.981 445 Q CA 2.019 57.772 55.803 -0.082 0.000 0.856 445 Q CB -0.400 28.256 28.738 -0.137 0.000 0.902 445 Q HN 0.771 nan 8.270 nan 0.000 0.425 446 A N -0.101 122.910 122.820 0.319 0.000 1.972 446 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 446 A C 2.004 179.718 177.584 0.217 0.000 1.169 446 A CA 1.388 53.594 52.037 0.281 0.000 0.635 446 A CB -0.634 18.541 19.000 0.292 0.000 0.810 446 A HN 0.447 nan 8.150 nan 0.000 0.446 447 L N -1.232 120.117 121.223 0.210 0.000 2.072 447 L HA -0.195 4.144 4.340 -0.001 0.000 0.205 447 L C 2.811 179.747 176.870 0.109 0.000 1.079 447 L CA 1.354 56.306 54.840 0.187 0.000 0.752 447 L CB -0.835 41.307 42.059 0.139 0.000 0.906 447 L HN 0.472 nan 8.230 nan 0.000 0.436 448 Q N 0.125 119.922 119.800 -0.005 0.000 2.046 448 Q HA -0.187 4.153 4.340 -0.001 0.000 0.200 448 Q C 1.844 177.867 176.000 0.037 0.000 0.975 448 Q CA 1.465 57.211 55.803 -0.095 0.000 0.836 448 Q CB -0.071 28.639 28.738 -0.046 0.000 0.896 448 Q HN 0.450 nan 8.270 nan 0.000 0.428 449 D N 0.339 120.788 120.400 0.082 0.000 2.117 449 D HA -0.161 4.478 4.640 -0.001 0.000 0.197 449 D C 1.522 177.877 176.300 0.090 0.000 0.987 449 D CA 0.851 54.904 54.000 0.088 0.000 0.829 449 D CB -0.316 40.544 40.800 0.101 0.000 0.961 449 D HN 0.144 nan 8.370 nan 0.000 0.460 450 F N 1.307 121.247 119.950 -0.017 0.000 2.102 450 F HA -0.153 4.374 4.527 0.000 0.000 0.298 450 F C 2.059 177.802 175.800 -0.094 0.000 1.105 450 F CA 1.215 59.169 58.000 -0.076 0.000 1.239 450 F CB -0.287 38.622 39.000 -0.152 0.000 0.991 450 F HN -0.112 nan 8.300 nan 0.000 0.474 451 L N -0.686 120.522 121.223 -0.024 0.000 2.046 451 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 451 L C 2.607 179.404 176.870 -0.121 0.000 1.077 451 L CA 1.524 56.310 54.840 -0.089 0.000 0.747 451 L CB -1.141 40.951 42.059 0.054 0.000 0.896 451 L HN 0.070 nan 8.230 nan 0.000 0.432 452 S N -0.403 115.269 115.700 -0.046 0.000 2.402 452 S HA -0.072 4.397 4.470 -0.001 0.000 0.229 452 S C 2.106 176.655 174.600 -0.085 0.000 1.021 452 S CA 1.041 59.226 58.200 -0.026 0.000 0.974 452 S CB -0.169 63.049 63.200 0.030 0.000 0.800 452 S HN 0.471 nan 8.310 nan 0.000 0.484 453 A N 0.864 123.602 122.820 -0.136 0.000 2.121 453 A HA -0.045 4.274 4.320 -0.001 0.000 0.218 453 A C 1.939 179.394 177.584 -0.215 0.000 1.154 453 A CA 0.821 52.769 52.037 -0.148 0.000 0.679 453 A CB -0.287 18.639 19.000 -0.124 0.000 0.795 453 A HN 0.323 nan 8.150 nan 0.000 0.458 454 Q N -0.255 119.354 119.800 -0.319 0.000 2.364 454 Q HA -0.120 4.220 4.340 -0.001 0.000 0.207 454 Q C 0.116 176.017 176.000 -0.165 0.000 0.970 454 Q CA 0.723 56.341 55.803 -0.308 0.000 0.888 454 Q CB -0.547 27.961 28.738 -0.383 0.000 0.951 454 Q HN 0.813 nan 8.270 nan 0.000 0.469 455 Q N -0.282 119.448 119.800 -0.117 0.000 2.406 455 Q HA -0.178 4.162 4.340 -0.001 0.000 0.339 455 Q C 0.349 176.309 176.000 -0.067 0.000 1.337 455 Q CA 0.643 56.400 55.803 -0.076 0.000 0.985 455 Q CB -1.827 26.876 28.738 -0.060 0.000 1.216 455 Q HN 0.384 nan 8.270 nan 0.000 0.415 456 V N -5.895 113.989 119.914 -0.050 0.000 3.363 456 V HA 0.083 4.203 4.120 -0.001 0.000 0.270 456 V C 0.503 176.591 176.094 -0.010 0.000 1.667 456 V CA 0.053 62.351 62.300 -0.003 0.000 1.034 456 V CB 0.615 32.508 31.823 0.115 0.000 0.857 456 V HN 0.289 nan 8.190 nan 0.000 0.410 457 Q N 1.870 121.647 119.800 -0.038 0.000 2.324 457 Q HA 0.671 5.011 4.340 -0.001 0.000 0.373 457 Q C 0.632 176.612 176.000 -0.034 0.000 0.909 457 Q CA 0.096 55.876 55.803 -0.039 0.000 1.135 457 Q CB 1.370 30.061 28.738 -0.079 0.000 1.313 457 Q HN 0.642 nan 8.270 nan 0.000 0.417 458 A N 2.464 125.288 122.820 0.007 0.000 2.133 458 A HA -0.095 4.224 4.320 -0.001 0.000 0.325 458 A C -2.116 175.449 177.584 -0.033 0.000 1.034 458 A CA -0.441 51.599 52.037 0.005 0.000 1.390 458 A CB -0.936 18.117 19.000 0.089 0.000 0.704 458 A HN 0.209 nan 8.150 nan 0.000 0.336 459 P HA 0.175 nan 4.420 nan 0.000 0.266 459 P C -0.400 176.903 177.300 0.005 0.000 1.186 459 P CA 0.102 63.251 63.100 0.082 0.000 0.767 459 P CB 0.624 32.489 31.700 0.276 0.000 0.820 460 V N 4.078 123.955 119.914 -0.062 0.000 2.444 460 V HA 0.224 4.343 4.120 -0.001 0.000 0.294 460 V C 0.380 176.277 176.094 -0.328 0.000 1.022 460 V CA -0.655 61.559 62.300 -0.145 0.000 0.850 460 V CB 1.477 33.226 31.823 -0.123 0.000 0.992 460 V HN 0.403 nan 8.190 nan 0.000 0.426 461 K N 5.274 125.434 120.400 -0.401 0.000 2.349 461 K HA 0.506 4.826 4.320 -0.001 0.000 0.288 461 K C -0.777 175.717 176.600 -0.177 0.000 1.058 461 K CA -0.102 55.861 56.287 -0.540 0.000 0.953 461 K CB 0.716 33.023 32.500 -0.321 0.000 0.997 461 K HN 0.502 nan 8.250 nan 0.000 0.477 462 L N 2.527 123.694 121.223 -0.093 0.000 2.304 462 L HA 0.397 4.737 4.340 -0.001 0.000 0.268 462 L C -0.295 176.768 176.870 0.321 0.000 1.010 462 L CA -1.198 53.745 54.840 0.172 0.000 0.813 462 L CB 0.965 43.179 42.059 0.259 0.000 1.315 462 L HN 0.572 nan 8.230 nan 0.000 0.445 463 Y N 0.532 121.003 120.300 0.284 0.000 2.454 463 Y HA 0.138 4.687 4.550 -0.001 0.000 0.345 463 Y C 0.746 176.883 175.900 0.394 0.000 0.970 463 Y CA -0.383 57.884 58.100 0.278 0.000 1.204 463 Y CB 1.094 39.696 38.460 0.236 0.000 1.122 463 Y HN 0.671 nan 8.280 nan 0.000 0.514 464 S N 0.897 116.739 115.700 0.236 0.000 2.632 464 S HA -0.005 4.465 4.470 -0.001 0.000 0.237 464 S C 0.830 175.166 174.600 -0.440 0.000 1.037 464 S CA 0.044 58.221 58.200 -0.040 0.000 1.009 464 S CB 0.134 63.447 63.200 0.188 0.000 0.974 464 S HN 0.763 nan 8.310 nan 0.000 0.544 465 D N 2.098 122.394 120.400 -0.174 0.000 2.348 465 D HA -0.026 4.614 4.640 -0.001 0.000 0.216 465 D C 1.609 177.802 176.300 -0.178 0.000 0.970 465 D CA 1.007 54.947 54.000 -0.100 0.000 0.889 465 D CB -0.219 40.666 40.800 0.141 0.000 0.912 465 D HN 0.751 nan 8.370 nan 0.000 0.524 466 W N 0.345 121.430 121.300 -0.359 0.000 2.611 466 W HA 0.075 4.734 4.660 -0.001 0.000 0.251 466 W C -0.244 176.180 176.519 -0.158 0.000 1.265 466 W CA -0.174 57.028 57.345 -0.238 0.000 1.295 466 W CB -1.136 28.044 29.460 -0.466 0.000 1.129 466 W HN -0.098 nan 8.180 nan 0.000 0.630 467 L N 1.786 122.453 121.223 -0.926 0.000 2.350 467 L HA 0.097 4.437 4.340 -0.001 0.000 0.275 467 L C 2.109 178.777 176.870 -0.337 0.000 1.099 467 L CA -0.195 54.215 54.840 -0.717 0.000 0.808 467 L CB 1.441 42.950 42.059 -0.917 0.000 1.149 467 L HN -0.182 nan 8.230 nan 0.000 0.442 468 S N 1.916 117.505 115.700 -0.186 0.000 2.359 468 S HA -0.162 4.307 4.470 -0.001 0.000 0.223 468 S C 1.618 176.100 174.600 -0.197 0.000 1.039 468 S CA 1.924 60.058 58.200 -0.109 0.000 1.042 468 S CB 0.067 63.269 63.200 0.002 0.000 0.915 468 S HN 0.474 nan 8.310 nan 0.000 0.439 469 V N 0.253 120.002 119.914 -0.276 0.000 2.283 469 V HA 0.192 4.312 4.120 -0.001 0.000 0.243 469 V C 1.825 177.593 176.094 -0.542 0.000 1.039 469 V CA 1.341 63.374 62.300 -0.445 0.000 1.016 469 V CB -1.075 30.429 31.823 -0.532 0.000 0.650 469 V HN 0.834 nan 8.190 nan 0.000 0.449 470 G N -0.306 108.197 108.800 -0.495 0.000 2.167 470 G HA2 -0.177 3.783 3.960 -0.001 0.000 0.194 470 G HA3 -0.177 3.783 3.960 -0.001 0.000 0.194 470 G C -0.167 174.691 174.900 -0.069 0.000 1.027 470 G CA -0.113 44.804 45.100 -0.305 0.000 0.717 470 G HN 0.658 nan 8.290 nan 0.000 0.501 471 H N -1.059 117.956 119.070 -0.091 0.000 2.492 471 H HA 0.446 5.001 4.556 -0.001 0.000 0.345 471 H C 1.636 176.947 175.328 -0.028 0.000 1.136 471 H CA -0.799 55.239 56.048 -0.017 0.000 1.202 471 H CB 2.158 31.919 29.762 -0.002 0.000 1.524 471 H HN 0.324 nan 8.280 nan 0.000 0.506 472 V N -0.392 119.576 119.914 0.091 0.000 2.688 472 V HA -0.255 3.865 4.120 -0.001 0.000 0.256 472 V C 1.607 177.458 176.094 -0.405 0.000 1.084 472 V CA 2.008 64.150 62.300 -0.263 0.000 1.103 472 V CB -0.368 31.349 31.823 -0.176 0.000 0.688 472 V HN 0.882 nan 8.190 nan 0.000 0.480 473 D N 0.390 120.738 120.400 -0.086 0.000 2.363 473 D HA -0.136 4.503 4.640 -0.001 0.000 0.226 473 D C 1.653 177.940 176.300 -0.022 0.000 1.020 473 D CA 0.985 54.941 54.000 -0.072 0.000 0.892 473 D CB -0.357 40.513 40.800 0.116 0.000 0.900 473 D HN 0.677 nan 8.370 nan 0.000 0.531 474 E N -0.885 119.326 120.200 0.018 0.000 2.442 474 E HA 0.040 4.390 4.350 -0.001 0.000 0.195 474 E C 0.616 177.388 176.600 0.287 0.000 1.030 474 E CA 0.305 56.789 56.400 0.141 0.000 0.869 474 E CB -0.076 29.690 29.700 0.109 0.000 0.857 474 E HN 0.579 nan 8.360 nan 0.000 0.505 475 F N -0.894 119.143 119.950 0.145 0.000 2.871 475 F HA 0.288 4.815 4.527 -0.001 0.000 0.344 475 F C -0.142 175.717 175.800 0.098 0.000 1.078 475 F CA -1.020 57.096 58.000 0.193 0.000 1.149 475 F CB 0.295 39.460 39.000 0.274 0.000 1.087 475 F HN -0.210 nan 8.300 nan 0.000 0.557 476 L N -0.639 120.379 121.223 -0.343 0.000 2.371 476 L HA 0.936 5.275 4.340 -0.001 0.000 0.262 476 L C -0.509 176.200 176.870 -0.268 0.000 1.006 476 L CA -0.975 53.693 54.840 -0.287 0.000 0.818 476 L CB 1.789 43.607 42.059 -0.401 0.000 1.354 476 L HN -0.020 nan 8.230 nan 0.000 0.415 477 S N 0.712 116.246 115.700 -0.277 0.000 2.607 477 S HA 0.846 5.316 4.470 -0.001 0.000 0.273 477 S C -1.672 172.734 174.600 -0.323 0.000 1.148 477 S CA -0.429 57.636 58.200 -0.225 0.000 0.833 477 S CB 0.906 64.021 63.200 -0.142 0.000 1.130 477 S HN 0.510 nan 8.310 nan 0.000 0.470 478 F N 1.362 121.286 119.950 -0.043 0.000 2.522 478 F HA 0.715 5.241 4.527 -0.001 0.000 0.324 478 F C 0.028 175.844 175.800 0.027 0.000 1.077 478 F CA -0.540 57.458 58.000 -0.003 0.000 0.944 478 F CB 2.183 41.138 39.000 -0.075 0.000 1.175 478 F HN 0.466 nan 8.300 nan 0.000 0.468 479 V N 0.293 120.366 119.914 0.265 0.000 2.962 479 V HA 0.726 4.846 4.120 -0.001 0.000 0.313 479 V C -2.980 173.242 176.094 0.213 0.000 1.099 479 V CA -3.013 59.394 62.300 0.177 0.000 0.971 479 V CB 1.839 33.725 31.823 0.105 0.000 1.028 479 V HN 0.429 nan 8.190 nan 0.000 0.430 480 P HA 0.607 nan 4.420 nan 0.000 0.272 480 P C -0.616 176.746 177.300 0.104 0.000 1.230 480 P CA 0.155 63.335 63.100 0.134 0.000 0.788 480 P CB 0.863 32.605 31.700 0.071 0.000 0.949 481 A N 2.015 124.887 122.820 0.086 0.000 2.589 481 A HA 0.561 4.880 4.320 -0.001 0.000 0.296 481 A C -2.443 175.151 177.584 0.017 0.000 1.062 481 A CA -0.917 51.142 52.037 0.036 0.000 0.686 481 A CB 1.042 20.051 19.000 0.015 0.000 1.282 481 A HN 0.375 nan 8.150 nan 0.000 0.404 482 P HA 0.150 nan 4.420 nan 0.000 0.249 482 P C -0.580 176.713 177.300 -0.011 0.000 1.229 482 P CA 0.797 63.897 63.100 -0.001 0.000 0.788 482 P CB -0.026 31.671 31.700 -0.004 0.000 1.072 483 D N -1.555 118.828 120.400 -0.027 0.000 2.636 483 D HA 0.191 4.831 4.640 -0.001 0.000 0.275 483 D C -0.207 176.046 176.300 -0.078 0.000 1.130 483 D CA -1.320 52.655 54.000 -0.041 0.000 1.031 483 D CB 0.202 40.980 40.800 -0.038 0.000 1.451 483 D HN -0.176 nan 8.370 nan 0.000 0.505 484 R N 0.505 120.957 120.500 -0.080 0.000 2.247 484 R HA -0.314 4.025 4.340 -0.001 0.000 0.214 484 R C -0.363 175.818 176.300 -0.198 0.000 0.709 484 R CA 1.849 57.882 56.100 -0.112 0.000 0.482 484 R CB -1.684 28.553 30.300 -0.104 0.000 1.360 484 R HN 0.683 nan 8.270 nan 0.000 0.542 485 K N -1.684 118.626 120.400 -0.151 0.000 3.558 485 K HA -0.121 4.198 4.320 -0.001 0.000 0.262 485 K C 0.921 177.474 176.600 -0.080 0.000 0.914 485 K CA 0.773 56.960 56.287 -0.168 0.000 1.141 485 K CB -1.606 30.650 32.500 -0.407 0.000 1.243 485 K HN 1.197 nan 8.250 nan 0.000 0.598 486 G N 1.124 109.858 108.800 -0.109 0.000 2.144 486 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 486 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 486 G C -0.173 174.835 174.900 0.179 0.000 0.988 486 G CA 0.341 45.474 45.100 0.056 0.000 0.659 486 G HN 0.624 nan 8.290 nan 0.000 0.522 487 F N -2.120 117.868 119.950 0.063 0.000 2.773 487 F HA 0.889 5.415 4.527 -0.002 0.000 0.314 487 F C -0.933 174.934 175.800 0.111 0.000 1.160 487 F CA -1.988 56.073 58.000 0.102 0.000 0.920 487 F CB 0.720 39.811 39.000 0.153 0.000 1.323 487 F HN 0.038 nan 8.300 nan 0.000 0.457 488 R N 2.041 122.774 120.500 0.389 0.000 2.599 488 R HA 0.451 4.791 4.340 -0.001 0.000 0.295 488 R C -1.277 175.262 176.300 0.398 0.000 0.963 488 R CA -0.955 55.319 56.100 0.291 0.000 0.883 488 R CB 2.369 32.738 30.300 0.115 0.000 1.171 488 R HN 0.953 nan 8.270 nan 0.000 0.450 489 L N 4.738 126.138 121.223 0.296 0.000 2.361 489 L HA 0.301 4.641 4.340 -0.001 0.000 0.278 489 L C -0.655 176.147 176.870 -0.112 0.000 1.113 489 L CA -0.226 54.517 54.840 -0.162 0.000 0.849 489 L CB 0.358 42.354 42.059 -0.104 0.000 1.155 489 L HN 0.453 nan 8.230 nan 0.000 0.452 490 L N 6.653 127.767 121.223 -0.181 0.000 2.275 490 L HA 0.435 4.774 4.340 -0.001 0.000 0.288 490 L C -0.401 176.427 176.870 -0.069 0.000 1.046 490 L CA -0.467 54.327 54.840 -0.077 0.000 0.805 490 L CB 1.435 43.468 42.059 -0.044 0.000 1.193 490 L HN 0.550 nan 8.230 nan 0.000 0.426 491 L N 2.815 124.048 121.223 0.016 0.000 2.346 491 L HA 0.634 4.973 4.340 -0.001 0.000 0.274 491 L C 0.482 177.436 176.870 0.140 0.000 1.007 491 L CA -0.628 54.272 54.840 0.100 0.000 0.818 491 L CB 1.920 44.048 42.059 0.115 0.000 1.284 491 L HN 0.690 nan 8.230 nan 0.000 0.424 492 A N 1.773 124.730 122.820 0.227 0.000 2.520 492 A HA 0.368 4.688 4.320 -0.001 0.000 0.235 492 A C 0.254 177.972 177.584 0.223 0.000 1.065 492 A CA 0.202 52.400 52.037 0.268 0.000 0.764 492 A CB 0.406 19.684 19.000 0.464 0.000 1.002 492 A HN 0.578 nan 8.150 nan 0.000 0.502 493 S N 2.767 118.582 115.700 0.192 0.000 2.609 493 S HA 0.538 5.008 4.470 -0.001 0.000 0.250 493 S C -2.317 172.364 174.600 0.134 0.000 1.112 493 S CA -0.973 57.304 58.200 0.129 0.000 1.102 493 S CB 1.133 64.383 63.200 0.084 0.000 1.124 493 S HN 0.385 nan 8.310 nan 0.000 0.460 494 P HA -0.096 nan 4.420 nan 0.000 0.217 494 P C 1.603 179.029 177.300 0.209 0.000 1.150 494 P CA 0.556 63.776 63.100 0.200 0.000 0.832 494 P CB 0.080 31.917 31.700 0.228 0.000 0.787 495 R N -0.101 120.467 120.500 0.113 0.000 2.091 495 R HA -0.143 4.197 4.340 -0.001 0.000 0.238 495 R C 2.275 178.629 176.300 0.089 0.000 1.136 495 R CA 2.139 58.289 56.100 0.084 0.000 0.959 495 R CB -0.987 29.328 30.300 0.026 0.000 0.856 495 R HN 0.091 nan 8.270 nan 0.000 0.437 496 S N -0.466 115.269 115.700 0.059 0.000 2.402 496 S HA -0.146 4.324 4.470 -0.001 0.000 0.229 496 S C 2.118 176.702 174.600 -0.027 0.000 1.021 496 S CA 1.238 59.455 58.200 0.027 0.000 0.974 496 S CB -0.487 62.731 63.200 0.030 0.000 0.800 496 S HN 0.613 nan 8.310 nan 0.000 0.484 497 C N 0.224 119.480 119.300 -0.073 0.000 2.486 497 C HA 0.157 4.616 4.460 -0.001 0.000 0.279 497 C C 2.167 176.875 174.990 -0.470 0.000 1.302 497 C CA 0.426 59.234 59.018 -0.351 0.000 1.720 497 C CB -1.661 25.857 27.740 -0.369 0.000 2.030 497 C HN 0.742 nan 8.230 nan 0.000 0.490 498 Y N 1.475 121.653 120.300 -0.203 0.000 2.145 498 Y HA -0.178 4.371 4.550 -0.001 0.000 0.286 498 Y C 2.537 178.428 175.900 -0.015 0.000 1.145 498 Y CA 2.384 60.437 58.100 -0.079 0.000 1.148 498 Y CB -0.433 38.010 38.460 -0.028 0.000 0.981 498 Y HN 0.357 nan 8.280 nan 0.000 0.507 499 K N 0.511 120.986 120.400 0.126 0.000 2.020 499 K HA -0.222 4.097 4.320 -0.001 0.000 0.212 499 K C 2.137 178.778 176.600 0.069 0.000 1.050 499 K CA 1.647 57.985 56.287 0.084 0.000 0.929 499 K CB -0.567 31.965 32.500 0.055 0.000 0.714 499 K HN 0.331 nan 8.250 nan 0.000 0.443 500 L N 0.247 121.483 121.223 0.023 0.000 2.042 500 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 500 L C 2.191 179.184 176.870 0.206 0.000 1.076 500 L CA 1.590 56.464 54.840 0.057 0.000 0.749 500 L CB -0.344 41.706 42.059 -0.014 0.000 0.893 500 L HN 0.264 nan 8.230 nan 0.000 0.432 501 F N 0.152 120.081 119.950 -0.036 0.000 2.163 501 F HA -0.158 4.368 4.527 -0.001 0.000 0.297 501 F C 2.726 178.519 175.800 -0.012 0.000 1.094 501 F CA 1.091 59.058 58.000 -0.055 0.000 1.290 501 F CB -1.105 37.827 39.000 -0.113 0.000 1.017 501 F HN 0.185 nan 8.300 nan 0.000 0.483 502 Q N 0.891 120.824 119.800 0.221 0.000 2.096 502 Q HA -0.207 4.132 4.340 -0.001 0.000 0.204 502 Q C 1.940 178.003 176.000 0.105 0.000 0.982 502 Q CA 1.994 57.885 55.803 0.146 0.000 0.850 502 Q CB -0.326 28.496 28.738 0.139 0.000 0.901 502 Q HN 0.464 nan 8.270 nan 0.000 0.422 503 E N -0.695 119.564 120.200 0.097 0.000 2.110 503 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 503 E C 2.069 178.710 176.600 0.067 0.000 0.988 503 E CA 1.077 57.519 56.400 0.070 0.000 0.804 503 E CB -0.039 29.694 29.700 0.055 0.000 0.745 503 E HN 0.280 nan 8.360 nan 0.000 0.458 504 Q N 0.706 120.548 119.800 0.071 0.000 2.084 504 Q HA -0.188 4.151 4.340 -0.001 0.000 0.202 504 Q C 1.938 177.995 176.000 0.095 0.000 0.978 504 Q CA 1.539 57.369 55.803 0.045 0.000 0.844 504 Q CB -0.105 28.630 28.738 -0.007 0.000 0.898 504 Q HN 0.278 nan 8.270 nan 0.000 0.426 505 Q N -0.512 119.332 119.800 0.073 0.000 2.123 505 Q HA -0.134 4.205 4.340 -0.001 0.000 0.199 505 Q C 1.332 177.367 176.000 0.059 0.000 0.966 505 Q CA 1.206 57.044 55.803 0.059 0.000 0.845 505 Q CB 0.046 28.812 28.738 0.047 0.000 0.907 505 Q HN 0.348 nan 8.270 nan 0.000 0.439 506 N N 0.766 119.503 118.700 0.062 0.000 2.149 506 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 506 N C 1.085 176.627 175.510 0.053 0.000 1.019 506 N CA 1.103 54.184 53.050 0.051 0.000 0.857 506 N CB -0.092 38.424 38.487 0.050 0.000 0.997 506 N HN 0.264 nan 8.380 nan 0.000 0.426 507 E N -0.569 119.683 120.200 0.086 0.000 2.489 507 E HA 0.151 4.500 4.350 -0.001 0.000 0.193 507 E C 0.700 177.361 176.600 0.100 0.000 1.057 507 E CA 0.111 56.578 56.400 0.112 0.000 0.866 507 E CB -0.046 29.750 29.700 0.160 0.000 0.916 507 E HN 0.420 nan 8.360 nan 0.000 0.500 508 G N 1.145 109.974 108.800 0.049 0.000 2.135 508 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.183 508 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.183 508 G C 0.155 174.938 174.900 -0.194 0.000 1.004 508 G CA -0.137 44.913 45.100 -0.084 0.000 0.677 508 G HN 0.366 nan 8.290 nan 0.000 0.512 509 H N -0.323 118.725 119.070 -0.036 0.000 2.469 509 H HA 0.403 4.959 4.556 -0.001 0.000 0.286 509 H C 2.143 177.425 175.328 -0.077 0.000 1.106 509 H CA 0.577 56.591 56.048 -0.057 0.000 1.055 509 H CB 0.554 30.277 29.762 -0.066 0.000 1.618 509 H HN 0.319 nan 8.280 nan 0.000 0.559 510 G N 0.336 109.142 108.800 0.011 0.000 2.479 510 G HA2 -0.282 3.678 3.960 -0.001 0.000 0.220 510 G HA3 -0.282 3.678 3.960 -0.001 0.000 0.220 510 G C 1.556 176.432 174.900 -0.040 0.000 1.115 510 G CA 0.694 45.783 45.100 -0.019 0.000 0.757 510 G HN 0.309 nan 8.290 nan 0.000 0.560 511 E N 0.145 120.325 120.200 -0.034 0.000 2.442 511 E HA 0.392 4.742 4.350 -0.001 0.000 0.195 511 E C 1.656 178.229 176.600 -0.044 0.000 1.030 511 E CA 0.158 56.537 56.400 -0.036 0.000 0.869 511 E CB -0.047 29.633 29.700 -0.033 0.000 0.857 511 E HN 0.380 nan 8.360 nan 0.000 0.505 512 A N 0.430 123.222 122.820 -0.047 0.000 2.555 512 A HA 0.177 4.497 4.320 -0.001 0.000 0.233 512 A C -0.332 177.170 177.584 -0.136 0.000 1.060 512 A CA 0.251 52.242 52.037 -0.076 0.000 0.759 512 A CB 0.091 19.041 19.000 -0.084 0.000 0.995 512 A HN 0.270 nan 8.150 nan 0.000 0.506 513 L N 2.863 124.012 121.223 -0.124 0.000 2.298 513 L HA 0.337 4.677 4.340 -0.001 0.000 0.284 513 L C 0.108 176.872 176.870 -0.177 0.000 1.013 513 L CA -0.409 54.364 54.840 -0.112 0.000 0.824 513 L CB 1.221 43.255 42.059 -0.042 0.000 1.221 513 L HN 0.673 nan 8.230 nan 0.000 0.418 514 L N 4.511 125.577 121.223 -0.262 0.000 2.461 514 L HA 0.120 4.460 4.340 -0.001 0.000 0.272 514 L C -0.079 176.586 176.870 -0.341 0.000 1.197 514 L CA 0.205 54.771 54.840 -0.457 0.000 0.836 514 L CB 0.254 41.943 42.059 -0.616 0.000 1.105 514 L HN 0.687 nan 8.230 nan 0.000 0.477 515 F N 0.943 120.897 119.950 0.007 0.000 3.043 515 F HA -0.189 4.338 4.527 -0.001 0.000 0.290 515 F C 0.710 176.478 175.800 -0.054 0.000 0.844 515 F CA 0.223 58.201 58.000 -0.038 0.000 1.184 515 F CB -2.208 36.746 39.000 -0.077 0.000 1.246 515 F HN 0.506 nan 8.300 nan 0.000 0.536 516 E N 0.906 121.157 120.200 0.085 0.000 2.392 516 E HA 0.426 4.775 4.350 -0.001 0.000 0.264 516 E C 1.410 178.084 176.600 0.122 0.000 1.024 516 E CA 1.151 57.590 56.400 0.064 0.000 0.903 516 E CB 0.880 30.592 29.700 0.019 0.000 0.963 516 E HN 0.589 nan 8.360 nan 0.000 0.432 517 G N 3.523 112.364 108.800 0.070 0.000 2.176 517 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.253 517 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.253 517 G C 0.275 175.119 174.900 -0.092 0.000 0.979 517 G CA 0.020 45.166 45.100 0.077 0.000 0.641 517 G HN 0.410 nan 8.290 nan 0.000 0.530 518 I N 1.291 121.748 120.570 -0.187 0.000 2.312 518 I HA 0.267 4.436 4.170 -0.001 0.000 0.290 518 I C 1.478 177.525 176.117 -0.117 0.000 1.008 518 I CA -0.423 60.687 61.300 -0.317 0.000 1.226 518 I CB 1.222 38.875 38.000 -0.579 0.000 1.371 518 I HN 0.051 nan 8.210 nan 0.000 0.468 519 K N 4.797 125.166 120.400 -0.051 0.000 2.063 519 K HA -0.116 4.203 4.320 -0.001 0.000 0.208 519 K C 0.057 176.646 176.600 -0.018 0.000 1.048 519 K CA 1.452 57.718 56.287 -0.035 0.000 0.928 519 K CB 0.162 32.625 32.500 -0.061 0.000 0.713 519 K HN 0.483 nan 8.250 nan 0.000 0.442 520 K N 1.203 121.634 120.400 0.051 0.000 2.562 520 K HA 0.319 4.638 4.320 -0.001 0.000 0.206 520 K C -0.858 175.808 176.600 0.110 0.000 1.033 520 K CA -0.374 55.953 56.287 0.068 0.000 1.029 520 K CB 1.365 33.871 32.500 0.011 0.000 1.393 520 K HN -0.173 nan 8.250 nan 0.000 0.539 521 K N 1.332 121.731 120.400 -0.001 0.000 2.589 521 K HA 0.168 4.487 4.320 -0.001 0.000 0.265 521 K C -1.213 175.357 176.600 -0.049 0.000 0.935 521 K CA -0.840 55.403 56.287 -0.073 0.000 0.850 521 K CB 2.400 34.744 32.500 -0.260 0.000 1.372 521 K HN 0.257 nan 8.250 nan 0.000 0.420 522 K N 3.244 123.619 120.400 -0.042 0.000 2.366 522 K HA -0.029 4.291 4.320 -0.001 0.000 0.279 522 K C -0.142 176.521 176.600 0.106 0.000 1.098 522 K CA 0.528 56.831 56.287 0.025 0.000 1.087 522 K CB 0.331 32.852 32.500 0.034 0.000 0.901 522 K HN 0.354 nan 8.250 nan 0.000 0.463 523 Q N 2.690 122.566 119.800 0.127 0.000 2.340 523 Q HA 0.095 4.435 4.340 -0.001 0.000 0.249 523 Q C -0.421 175.688 176.000 0.182 0.000 0.957 523 Q CA 0.194 56.116 55.803 0.199 0.000 0.882 523 Q CB 1.147 29.951 28.738 0.110 0.000 1.235 523 Q HN 0.474 nan 8.270 nan 0.000 0.439 524 Q N 1.151 121.059 119.800 0.181 0.000 2.271 524 Q HA 0.289 4.629 4.340 -0.001 0.000 0.268 524 Q C -1.383 174.636 176.000 0.031 0.000 1.021 524 Q CA -0.510 55.378 55.803 0.141 0.000 0.802 524 Q CB 2.293 31.185 28.738 0.257 0.000 1.282 524 Q HN 0.341 nan 8.270 nan 0.000 0.431 525 K N 2.323 122.732 120.400 0.015 0.000 2.218 525 K HA 0.258 4.577 4.320 -0.001 0.000 0.276 525 K C 1.031 177.581 176.600 -0.083 0.000 1.022 525 K CA -0.157 56.103 56.287 -0.044 0.000 0.946 525 K CB 1.080 33.568 32.500 -0.021 0.000 1.000 525 K HN 0.568 nan 8.250 nan 0.000 0.468 526 I N 2.412 122.867 120.570 -0.191 0.000 2.185 526 I HA -0.410 3.759 4.170 -0.001 0.000 0.246 526 I C 1.954 178.014 176.117 -0.094 0.000 1.088 526 I CA 1.673 62.811 61.300 -0.270 0.000 1.347 526 I CB -0.201 37.581 38.000 -0.364 0.000 1.041 526 I HN 0.620 nan 8.210 nan 0.000 0.415 527 K N 0.337 120.708 120.400 -0.050 0.000 2.057 527 K HA -0.149 4.171 4.320 -0.001 0.000 0.207 527 K C 1.802 178.418 176.600 0.025 0.000 1.049 527 K CA 1.366 57.652 56.287 -0.001 0.000 0.931 527 K CB -0.226 32.273 32.500 -0.001 0.000 0.714 527 K HN 0.400 nan 8.250 nan 0.000 0.440 528 N N 1.024 119.740 118.700 0.027 0.000 2.250 528 N HA -0.051 4.689 4.740 -0.001 0.000 0.181 528 N C 1.933 177.488 175.510 0.075 0.000 1.017 528 N CA 0.815 53.897 53.050 0.054 0.000 0.866 528 N CB -0.123 38.401 38.487 0.061 0.000 0.985 528 N HN 0.113 nan 8.380 nan 0.000 0.429 529 I N 0.843 121.456 120.570 0.072 0.000 2.194 529 I HA -0.259 3.911 4.170 -0.001 0.000 0.246 529 I C 1.708 177.879 176.117 0.089 0.000 1.093 529 I CA 0.930 62.279 61.300 0.082 0.000 1.355 529 I CB -0.036 38.015 38.000 0.085 0.000 1.046 529 I HN 0.026 nan 8.210 nan 0.000 0.413 530 L N 0.065 121.350 121.223 0.102 0.000 2.109 530 L HA -0.117 4.223 4.340 -0.001 0.000 0.207 530 L C 2.667 179.627 176.870 0.151 0.000 1.086 530 L CA 1.933 56.876 54.840 0.173 0.000 0.760 530 L CB -1.236 40.914 42.059 0.152 0.000 0.910 530 L HN 0.350 nan 8.230 nan 0.000 0.437 531 S N -1.418 114.340 115.700 0.098 0.000 2.561 531 S HA -0.022 4.448 4.470 -0.001 0.000 0.225 531 S C 1.097 175.739 174.600 0.070 0.000 0.977 531 S CA -0.152 58.093 58.200 0.075 0.000 0.926 531 S CB -0.671 62.562 63.200 0.055 0.000 0.769 531 S HN 0.393 nan 8.310 nan 0.000 0.533 532 N N 2.504 121.254 118.700 0.083 0.000 2.400 532 N HA 0.143 4.882 4.740 -0.001 0.000 0.267 532 N C 0.550 176.088 175.510 0.047 0.000 1.208 532 N CA 0.105 53.192 53.050 0.062 0.000 0.951 532 N CB 0.560 39.088 38.487 0.068 0.000 1.227 532 N HN 0.389 nan 8.380 nan 0.000 0.488 533 K N 1.637 122.050 120.400 0.020 0.000 2.296 533 K HA -0.013 4.306 4.320 -0.001 0.000 0.200 533 K C 1.078 177.658 176.600 -0.033 0.000 1.048 533 K CA 0.942 57.230 56.287 0.003 0.000 0.966 533 K CB 0.353 32.855 32.500 0.003 0.000 0.754 533 K HN 0.464 nan 8.250 nan 0.000 0.466 534 T N 1.999 116.510 114.554 -0.072 0.000 2.894 534 T HA 0.007 4.357 4.350 -0.001 0.000 0.258 534 T C 1.730 176.224 174.700 -0.344 0.000 1.043 534 T CA 0.291 62.276 62.100 -0.192 0.000 1.141 534 T CB -0.010 68.740 68.868 -0.197 0.000 0.873 534 T HN 0.111 nan 8.240 nan 0.000 0.449 535 L N 1.175 122.277 121.223 -0.202 0.000 2.043 535 L HA -0.164 4.176 4.340 -0.001 0.000 0.212 535 L C 2.803 179.694 176.870 0.034 0.000 1.075 535 L CA 1.732 56.508 54.840 -0.106 0.000 0.752 535 L CB -0.392 41.636 42.059 -0.051 0.000 0.891 535 L HN 0.229 nan 8.230 nan 0.000 0.432 536 R N -0.099 120.428 120.500 0.046 0.000 2.081 536 R HA -0.203 4.136 4.340 -0.001 0.000 0.235 536 R C 2.070 178.353 176.300 -0.028 0.000 1.131 536 R CA 1.651 57.734 56.100 -0.029 0.000 0.960 536 R CB -0.101 30.141 30.300 -0.097 0.000 0.856 536 R HN 0.435 nan 8.270 nan 0.000 0.436 537 E N -0.812 119.390 120.200 0.005 0.000 2.038 537 E HA -0.227 4.123 4.350 -0.001 0.000 0.195 537 E C 2.010 178.739 176.600 0.215 0.000 1.000 537 E CA 1.602 58.047 56.400 0.075 0.000 0.803 537 E CB -0.112 29.631 29.700 0.072 0.000 0.750 537 E HN 0.467 nan 8.360 nan 0.000 0.448 538 H N 0.535 119.657 119.070 0.086 0.000 2.290 538 H HA -0.062 4.494 4.556 -0.001 0.000 0.298 538 H C 1.813 177.241 175.328 0.167 0.000 1.087 538 H CA 1.152 57.288 56.048 0.146 0.000 1.291 538 H CB -0.438 29.416 29.762 0.154 0.000 1.369 538 H HN 0.162 nan 8.280 nan 0.000 0.492 539 N N -0.003 118.861 118.700 0.273 0.000 2.453 539 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 539 N C 1.833 177.379 175.510 0.060 0.000 1.041 539 N CA 0.585 53.750 53.050 0.192 0.000 0.900 539 N CB 0.061 38.704 38.487 0.260 0.000 0.961 539 N HN 0.183 nan 8.380 nan 0.000 0.443 540 S N 0.241 115.968 115.700 0.045 0.000 2.387 540 S HA -0.027 4.443 4.470 -0.001 0.000 0.226 540 S C 1.609 176.212 174.600 0.006 0.000 1.026 540 S CA 0.389 58.583 58.200 -0.011 0.000 0.972 540 S CB -0.153 63.043 63.200 -0.007 0.000 0.814 540 S HN 0.385 nan 8.310 nan 0.000 0.477 541 F N 1.603 121.512 119.950 -0.068 0.000 2.206 541 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 541 F C 1.948 177.601 175.800 -0.245 0.000 1.090 541 F CA 1.100 59.030 58.000 -0.118 0.000 1.323 541 F CB -0.298 38.658 39.000 -0.073 0.000 1.028 541 F HN 0.004 nan 8.300 nan 0.000 0.492 542 V N 1.004 120.697 119.914 -0.369 0.000 2.295 542 V HA -0.328 3.791 4.120 -0.001 0.000 0.246 542 V C 2.404 178.047 176.094 -0.752 0.000 1.049 542 V CA 2.326 64.194 62.300 -0.720 0.000 1.024 542 V CB -0.829 30.760 31.823 -0.389 0.000 0.648 542 V HN 0.492 nan 8.190 nan 0.000 0.447 543 E N 0.165 120.134 120.200 -0.385 0.000 2.130 543 E HA -0.334 4.015 4.350 -0.001 0.000 0.196 543 E C 2.327 178.717 176.600 -0.350 0.000 0.998 543 E CA 1.865 58.091 56.400 -0.290 0.000 0.806 543 E CB -0.101 29.512 29.700 -0.144 0.000 0.738 543 E HN 0.467 nan 8.360 nan 0.000 0.459 544 R N -0.258 120.005 120.500 -0.395 0.000 2.073 544 R HA -0.114 4.225 4.340 -0.001 0.000 0.234 544 R C 2.453 178.479 176.300 -0.457 0.000 1.134 544 R CA 1.925 57.817 56.100 -0.346 0.000 0.952 544 R CB -0.450 29.666 30.300 -0.307 0.000 0.850 544 R HN 0.306 nan 8.270 nan 0.000 0.433 545 C N -0.175 118.596 119.300 -0.882 0.000 2.446 545 C HA -0.014 4.445 4.460 -0.001 0.000 0.277 545 C C 2.457 176.922 174.990 -0.875 0.000 1.275 545 C CA 0.438 58.804 59.018 -1.086 0.000 1.727 545 C CB -0.812 25.534 27.740 -2.324 0.000 2.010 545 C HN 0.504 nan 8.230 nan 0.000 0.486 546 I N 1.307 121.331 120.570 -0.909 0.000 2.179 546 I HA -0.195 3.975 4.170 -0.001 0.000 0.242 546 I C 2.126 178.078 176.117 -0.276 0.000 1.088 546 I CA 1.614 62.562 61.300 -0.586 0.000 1.357 546 I CB -0.679 37.081 38.000 -0.399 0.000 1.051 546 I HN 0.286 nan 8.210 nan 0.000 0.409 547 D N 0.261 120.536 120.400 -0.209 0.000 2.182 547 D HA -0.243 4.397 4.640 -0.001 0.000 0.201 547 D C 1.691 177.969 176.300 -0.038 0.000 0.986 547 D CA 0.959 54.901 54.000 -0.097 0.000 0.847 547 D CB -0.364 40.389 40.800 -0.080 0.000 0.942 547 D HN 0.515 nan 8.370 nan 0.000 0.467 548 W N 1.967 123.155 121.300 -0.187 0.000 2.354 548 W HA -0.173 4.488 4.660 0.000 0.000 0.315 548 W C 1.712 178.189 176.519 -0.068 0.000 1.206 548 W CA 1.003 58.280 57.345 -0.115 0.000 1.290 548 W CB -0.331 29.069 29.460 -0.100 0.000 1.152 548 W HN -0.041 nan 8.180 nan 0.000 0.489 549 N N 0.588 119.320 118.700 0.053 0.000 2.104 549 N HA -0.231 4.508 4.740 -0.001 0.000 0.190 549 N C 1.944 177.454 175.510 -0.001 0.000 1.024 549 N CA 1.648 54.724 53.050 0.044 0.000 0.853 549 N CB -0.795 37.743 38.487 0.085 0.000 1.008 549 N HN 0.256 nan 8.380 nan 0.000 0.424 550 R N 1.161 121.650 120.500 -0.018 0.000 2.136 550 R HA -0.183 4.156 4.340 -0.001 0.000 0.242 550 R C 1.676 177.938 176.300 -0.063 0.000 1.131 550 R CA 1.619 57.707 56.100 -0.019 0.000 0.937 550 R CB 0.032 30.311 30.300 -0.034 0.000 0.863 550 R HN 0.217 nan 8.270 nan 0.000 0.435 551 E N 0.338 120.452 120.200 -0.143 0.000 2.107 551 E HA -0.156 4.194 4.350 -0.001 0.000 0.191 551 E C 1.939 178.413 176.600 -0.210 0.000 0.982 551 E CA 0.514 56.803 56.400 -0.184 0.000 0.809 551 E CB -0.374 29.167 29.700 -0.266 0.000 0.756 551 E HN 0.211 nan 8.360 nan 0.000 0.459 552 L N 1.016 122.070 121.223 -0.282 0.000 2.043 552 L HA -0.167 4.173 4.340 -0.001 0.000 0.212 552 L C 2.194 179.005 176.870 -0.099 0.000 1.075 552 L CA 1.527 56.231 54.840 -0.226 0.000 0.752 552 L CB -0.850 41.069 42.059 -0.233 0.000 0.891 552 L HN 0.084 nan 8.230 nan 0.000 0.432 553 L N -1.094 120.104 121.223 -0.041 0.000 2.109 553 L HA -0.201 4.139 4.340 -0.001 0.000 0.207 553 L C 2.532 179.408 176.870 0.011 0.000 1.086 553 L CA 1.170 56.019 54.840 0.015 0.000 0.760 553 L CB -0.454 41.648 42.059 0.071 0.000 0.910 553 L HN 0.192 nan 8.230 nan 0.000 0.437 554 K N -0.275 120.118 120.400 -0.011 0.000 2.032 554 K HA -0.231 4.089 4.320 -0.001 0.000 0.209 554 K C 2.276 178.864 176.600 -0.020 0.000 1.048 554 K CA 1.518 57.801 56.287 -0.006 0.000 0.927 554 K CB -0.162 32.323 32.500 -0.026 0.000 0.712 554 K HN 0.147 nan 8.250 nan 0.000 0.441 555 R N 0.843 121.310 120.500 -0.055 0.000 2.062 555 R HA -0.110 4.229 4.340 -0.001 0.000 0.231 555 R C 1.647 177.921 176.300 -0.043 0.000 1.136 555 R CA 1.425 57.491 56.100 -0.056 0.000 0.948 555 R CB 0.148 30.394 30.300 -0.090 0.000 0.845 555 R HN 0.078 nan 8.270 nan 0.000 0.430 556 E N 0.009 120.174 120.200 -0.057 0.000 2.371 556 E HA -0.056 4.294 4.350 -0.001 0.000 0.194 556 E C 1.143 177.682 176.600 -0.102 0.000 1.012 556 E CA 0.489 56.841 56.400 -0.080 0.000 0.860 556 E CB 0.379 30.021 29.700 -0.098 0.000 0.811 556 E HN 0.239 nan 8.360 nan 0.000 0.502 557 L N -0.690 120.506 121.223 -0.045 0.000 2.766 557 L HA 0.289 4.629 4.340 -0.001 0.000 0.242 557 L C 1.064 177.963 176.870 0.049 0.000 1.136 557 L CA 0.464 55.292 54.840 -0.019 0.000 0.933 557 L CB 0.038 42.116 42.059 0.032 0.000 1.241 557 L HN 0.139 nan 8.230 nan 0.000 0.522 558 G N 0.710 109.533 108.800 0.040 0.000 2.273 558 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.280 558 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.280 558 G C 0.288 175.229 174.900 0.068 0.000 1.047 558 G CA 0.319 45.449 45.100 0.050 0.000 0.869 558 G HN 0.278 nan 8.290 nan 0.000 0.502 559 L N -0.452 120.819 121.223 0.079 0.000 2.399 559 L HA 0.706 5.046 4.340 -0.001 0.000 0.266 559 L C 0.921 177.817 176.870 0.044 0.000 1.114 559 L CA -0.188 54.709 54.840 0.095 0.000 0.804 559 L CB 1.317 43.460 42.059 0.140 0.000 1.146 559 L HN 0.363 nan 8.230 nan 0.000 0.451 560 A N 0.881 123.718 122.820 0.028 0.000 2.309 560 A HA 0.413 4.733 4.320 -0.001 0.000 0.317 560 A C 0.730 178.318 177.584 0.007 0.000 1.134 560 A CA -0.524 51.517 52.037 0.007 0.000 0.866 560 A CB 0.950 19.947 19.000 -0.006 0.000 1.329 560 A HN 0.744 nan 8.150 nan 0.000 0.477 561 E N 0.508 120.708 120.200 -0.001 0.000 2.130 561 E HA -0.161 4.189 4.350 -0.001 0.000 0.196 561 E C 2.140 178.737 176.600 -0.005 0.000 0.998 561 E CA 1.922 58.321 56.400 -0.001 0.000 0.806 561 E CB -0.423 29.273 29.700 -0.005 0.000 0.738 561 E HN 0.735 nan 8.360 nan 0.000 0.459 562 S N 0.705 116.396 115.700 -0.015 0.000 2.595 562 S HA -0.077 4.393 4.470 -0.001 0.000 0.235 562 S C 0.999 175.571 174.600 -0.047 0.000 0.974 562 S CA 0.635 58.818 58.200 -0.028 0.000 0.942 562 S CB 0.048 63.227 63.200 -0.034 0.000 0.766 562 S HN 0.064 nan 8.310 nan 0.000 0.536 563 D N 1.140 121.518 120.400 -0.036 0.000 2.339 563 D HA 0.292 4.932 4.640 -0.001 0.000 0.217 563 D C 0.153 176.470 176.300 0.029 0.000 1.050 563 D CA 0.275 54.245 54.000 -0.049 0.000 0.856 563 D CB 0.293 41.085 40.800 -0.014 0.000 0.922 563 D HN 0.487 nan 8.370 nan 0.000 0.518 564 I N 1.506 122.090 120.570 0.024 0.000 2.418 564 I HA 0.318 4.488 4.170 -0.001 0.000 0.287 564 I C -0.296 175.833 176.117 0.020 0.000 1.008 564 I CA -0.628 60.692 61.300 0.032 0.000 1.104 564 I CB 2.371 40.389 38.000 0.030 0.000 1.264 564 I HN -0.378 nan 8.210 nan 0.000 0.438 565 I N 4.979 125.562 120.570 0.022 0.000 2.354 565 I HA 0.257 4.426 4.170 -0.001 0.000 0.292 565 I C -0.421 175.713 176.117 0.029 0.000 0.989 565 I CA -0.608 60.706 61.300 0.024 0.000 1.188 565 I CB 1.532 39.548 38.000 0.028 0.000 1.342 565 I HN 0.467 nan 8.210 nan 0.000 0.457 566 D N 6.929 127.349 120.400 0.033 0.000 2.308 566 D HA 0.311 4.950 4.640 -0.001 0.000 0.251 566 D C -0.227 176.106 176.300 0.056 0.000 1.127 566 D CA -0.068 53.959 54.000 0.046 0.000 0.876 566 D CB 2.119 42.943 40.800 0.040 0.000 1.176 566 D HN 0.131 nan 8.370 nan 0.000 0.446 567 I N 4.402 125.017 120.570 0.075 0.000 2.339 567 I HA 0.190 4.360 4.170 -0.001 0.000 0.290 567 I C -2.161 174.014 176.117 0.098 0.000 0.994 567 I CA -2.815 58.538 61.300 0.089 0.000 1.191 567 I CB 1.273 39.335 38.000 0.103 0.000 1.343 567 I HN -0.044 nan 8.210 nan 0.000 0.458 568 P HA 0.120 nan 4.420 nan 0.000 0.267 568 P C -0.721 176.669 177.300 0.150 0.000 1.209 568 P CA -0.019 63.121 63.100 0.068 0.000 0.763 568 P CB 0.807 32.509 31.700 0.003 0.000 0.816 569 Q N 2.874 122.730 119.800 0.094 0.000 2.364 569 Q HA 0.490 4.830 4.340 -0.001 0.000 0.257 569 Q C -2.115 173.754 176.000 -0.218 0.000 0.956 569 Q CA -0.453 55.305 55.803 -0.076 0.000 0.924 569 Q CB 0.959 29.664 28.738 -0.055 0.000 1.413 569 Q HN 0.143 nan 8.270 nan 0.000 0.418 570 L N 3.886 124.731 121.223 -0.631 0.000 2.334 570 L HA 0.719 5.058 4.340 -0.001 0.000 0.272 570 L C -0.966 175.604 176.870 -0.498 0.000 1.020 570 L CA -0.146 54.475 54.840 -0.366 0.000 0.812 570 L CB 1.205 43.094 42.059 -0.283 0.000 1.264 570 L HN 0.729 nan 8.230 nan 0.000 0.439 571 F N 1.296 121.261 119.950 0.026 0.000 2.640 571 F HA 0.670 5.197 4.527 -0.001 0.000 0.324 571 F C -0.200 175.736 175.800 0.226 0.000 1.077 571 F CA -0.837 57.253 58.000 0.150 0.000 0.965 571 F CB 1.821 40.930 39.000 0.180 0.000 1.351 571 F HN 0.322 nan 8.300 nan 0.000 0.487 572 K N 1.450 122.156 120.400 0.510 0.000 2.469 572 K HA 0.656 4.975 4.320 -0.001 0.000 0.254 572 K C -1.904 174.905 176.600 0.348 0.000 0.939 572 K CA -0.709 55.867 56.287 0.483 0.000 0.812 572 K CB 2.169 34.986 32.500 0.529 0.000 1.301 572 K HN 0.646 nan 8.250 nan 0.000 0.433 573 L N 2.269 123.615 121.223 0.206 0.000 2.375 573 L HA 0.399 4.738 4.340 -0.001 0.000 0.271 573 L C 0.713 177.625 176.870 0.071 0.000 1.107 573 L CA -0.555 54.270 54.840 -0.025 0.000 0.806 573 L CB 0.764 42.553 42.059 -0.451 0.000 1.146 573 L HN 0.739 nan 8.230 nan 0.000 0.447 574 K N 1.096 121.537 120.400 0.068 0.000 2.366 574 K HA 0.280 4.599 4.320 -0.001 0.000 0.312 574 K C -0.629 175.998 176.600 0.044 0.000 0.967 574 K CA -0.686 55.649 56.287 0.080 0.000 0.868 574 K CB 0.371 32.933 32.500 0.103 0.000 3.506 574 K HN 0.577 nan 8.250 nan 0.000 1.211 575 E N 1.542 121.785 120.200 0.071 0.000 2.344 575 E HA 0.117 4.467 4.350 -0.001 0.000 0.270 575 E C -0.745 175.964 176.600 0.182 0.000 1.021 575 E CA -0.012 56.404 56.400 0.026 0.000 0.887 575 E CB -0.151 29.626 29.700 0.129 0.000 0.997 575 E HN 0.389 nan 8.360 nan 0.000 0.429 576 F N 1.282 121.226 119.950 -0.011 0.000 3.084 576 F HA -0.309 4.218 4.527 -0.001 0.000 0.286 576 F C 0.738 176.519 175.800 -0.031 0.000 0.855 576 F CA 0.840 58.828 58.000 -0.020 0.000 1.091 576 F CB -2.442 36.546 39.000 -0.019 0.000 1.177 576 F HN 0.630 nan 8.300 nan 0.000 0.542 577 S N -1.863 113.870 115.700 0.055 0.000 3.490 577 S HA -0.206 4.264 4.470 -0.001 0.000 0.301 577 S C 0.463 175.085 174.600 0.037 0.000 1.233 577 S CA 1.042 59.227 58.200 -0.025 0.000 0.914 577 S CB -0.535 62.607 63.200 -0.096 0.000 1.047 577 S HN 0.415 nan 8.310 nan 0.000 0.602 578 K N 1.079 121.538 120.400 0.098 0.000 2.118 578 K HA 0.713 5.033 4.320 -0.001 0.000 0.267 578 K C 0.289 176.953 176.600 0.107 0.000 0.991 578 K CA -0.075 56.276 56.287 0.106 0.000 0.916 578 K CB 1.283 33.831 32.500 0.080 0.000 1.041 578 K HN 0.298 nan 8.250 nan 0.000 0.455 579 A N 2.741 125.625 122.820 0.107 0.000 2.309 579 A HA 0.386 4.706 4.320 -0.001 0.000 0.298 579 A C -0.362 177.307 177.584 0.141 0.000 1.165 579 A CA -0.362 51.777 52.037 0.170 0.000 0.821 579 A CB 0.354 19.492 19.000 0.230 0.000 1.102 579 A HN 0.706 nan 8.150 nan 0.000 0.500 580 E N 0.697 121.053 120.200 0.260 0.000 2.359 580 E HA 0.604 4.953 4.350 -0.001 0.000 0.266 580 E C -0.573 176.221 176.600 0.323 0.000 0.920 580 E CA -1.116 55.406 56.400 0.202 0.000 0.788 580 E CB 2.041 31.756 29.700 0.026 0.000 1.279 580 E HN 0.766 nan 8.360 nan 0.000 0.438 581 A N 1.143 124.024 122.820 0.103 0.000 2.409 581 A HA 0.176 4.496 4.320 -0.001 0.000 0.262 581 A C -0.026 177.577 177.584 0.032 0.000 1.113 581 A CA -0.107 51.857 52.037 -0.121 0.000 0.790 581 A CB -0.223 18.717 19.000 -0.101 0.000 1.046 581 A HN 0.799 nan 8.150 nan 0.000 0.496 582 F N 2.587 122.420 119.950 -0.196 0.000 2.234 582 F HA 0.181 4.707 4.527 -0.001 0.000 0.296 582 F C 0.381 176.379 175.800 0.329 0.000 1.089 582 F CA 1.197 59.227 58.000 0.049 0.000 1.343 582 F CB 0.061 39.061 39.000 -0.000 0.000 1.040 582 F HN 0.636 nan 8.300 nan 0.000 0.498 583 F N -1.807 118.359 119.950 0.361 0.000 2.640 583 F HA 0.651 5.178 4.527 -0.001 0.000 0.324 583 F C -2.932 172.870 175.800 0.002 0.000 1.077 583 F CA -3.968 54.194 58.000 0.271 0.000 0.965 583 F CB -0.564 38.609 39.000 0.288 0.000 1.351 583 F HN -0.414 nan 8.300 nan 0.000 0.487 584 P HA -0.107 nan 4.420 nan 0.000 0.257 584 P C -0.576 176.830 177.300 0.177 0.000 1.162 584 P CA 0.508 63.543 63.100 -0.108 0.000 0.762 584 P CB 0.186 31.896 31.700 0.016 0.000 0.753 585 N N 3.927 122.707 118.700 0.134 0.000 2.434 585 N HA 0.049 4.789 4.740 -0.001 0.000 0.273 585 N C 1.082 176.682 175.510 0.149 0.000 1.210 585 N CA 0.332 53.426 53.050 0.074 0.000 0.992 585 N CB -0.070 38.465 38.487 0.080 0.000 1.355 585 N HN 0.366 nan 8.380 nan 0.000 0.495 586 M N 1.632 121.341 119.600 0.181 0.000 2.279 586 M HA -0.134 4.346 4.480 -0.001 0.000 0.264 586 M C 1.761 178.149 176.300 0.145 0.000 1.062 586 M CA 0.844 56.265 55.300 0.201 0.000 1.099 586 M CB 0.078 32.827 32.600 0.249 0.000 1.394 586 M HN 0.311 nan 8.290 nan 0.000 0.426 587 V N 0.906 120.895 119.914 0.125 0.000 2.759 587 V HA -0.139 3.980 4.120 -0.001 0.000 0.256 587 V C 1.206 177.326 176.094 0.043 0.000 1.080 587 V CA 1.175 63.525 62.300 0.082 0.000 1.101 587 V CB -0.543 31.340 31.823 0.099 0.000 0.698 587 V HN 0.453 nan 8.190 nan 0.000 0.477 588 N N 1.989 120.744 118.700 0.093 0.000 3.178 588 N HA 0.118 4.858 4.740 -0.001 0.000 0.300 588 N C -0.134 175.474 175.510 0.163 0.000 1.242 588 N CA -0.101 53.018 53.050 0.115 0.000 1.192 588 N CB -0.122 38.477 38.487 0.187 0.000 1.463 588 N HN 0.663 nan 8.380 nan 0.000 0.539 589 M N -0.033 119.620 119.600 0.088 0.000 2.705 589 M HA 0.461 4.941 4.480 -0.001 0.000 0.311 589 M C -1.072 175.325 176.300 0.161 0.000 1.214 589 M CA -1.088 54.275 55.300 0.106 0.000 0.920 589 M CB 1.802 34.428 32.600 0.044 0.000 1.687 589 M HN -0.063 nan 8.290 nan 0.000 0.481 590 L N 2.483 123.791 121.223 0.142 0.000 2.275 590 L HA 0.595 4.934 4.340 -0.001 0.000 0.288 590 L C -1.424 175.505 176.870 0.099 0.000 1.046 590 L CA -0.277 54.660 54.840 0.161 0.000 0.805 590 L CB 1.514 43.630 42.059 0.094 0.000 1.193 590 L HN 0.632 nan 8.230 nan 0.000 0.426 591 V N 7.063 127.049 119.914 0.120 0.000 2.313 591 V HA 0.347 4.466 4.120 -0.001 0.000 0.278 591 V C -0.394 175.750 176.094 0.084 0.000 1.017 591 V CA -0.373 61.978 62.300 0.086 0.000 0.823 591 V CB 1.101 32.977 31.823 0.087 0.000 1.010 591 V HN 0.497 nan 8.190 nan 0.000 0.443 592 L N 5.699 126.968 121.223 0.077 0.000 2.599 592 L HA 0.713 5.053 4.340 -0.001 0.000 0.241 592 L C 1.023 177.938 176.870 0.074 0.000 1.207 592 L CA 1.056 55.947 54.840 0.084 0.000 0.987 592 L CB 0.115 42.233 42.059 0.099 0.000 1.318 592 L HN 0.878 nan 8.230 nan 0.000 0.458 593 G N 1.825 110.645 108.800 0.034 0.000 2.596 593 G HA2 -0.407 3.553 3.960 -0.001 0.000 0.304 593 G HA3 -0.407 3.553 3.960 -0.001 0.000 0.304 593 G C 1.050 175.919 174.900 -0.051 0.000 1.189 593 G CA 0.391 45.485 45.100 -0.010 0.000 0.986 593 G HN 0.359 nan 8.290 nan 0.000 0.548 594 K N 1.848 122.150 120.400 -0.164 0.000 2.418 594 K HA 0.178 4.498 4.320 -0.001 0.000 0.195 594 K C 0.855 177.311 176.600 -0.240 0.000 1.035 594 K CA 0.419 56.579 56.287 -0.211 0.000 1.003 594 K CB -0.163 32.174 32.500 -0.273 0.000 0.793 594 K HN 0.642 nan 8.250 nan 0.000 0.494 595 H N 0.931 119.991 119.070 -0.017 0.000 2.782 595 H HA 0.218 4.773 4.556 -0.001 0.000 0.285 595 H C -0.083 175.218 175.328 -0.044 0.000 1.093 595 H CA -0.285 55.742 56.048 -0.035 0.000 1.410 595 H CB 0.249 29.991 29.762 -0.033 0.000 1.439 595 H HN -0.071 nan 8.280 nan 0.000 0.469 596 L N 2.016 123.258 121.223 0.032 0.000 2.317 596 L HA 0.401 4.741 4.340 -0.001 0.000 0.281 596 L C 1.005 177.820 176.870 -0.092 0.000 1.024 596 L CA -0.900 53.920 54.840 -0.033 0.000 0.810 596 L CB 1.784 43.797 42.059 -0.076 0.000 1.240 596 L HN 0.626 nan 8.230 nan 0.000 0.427 597 G N 4.889 113.647 108.800 -0.070 0.000 2.800 597 G HA2 0.568 4.527 3.960 -0.001 0.000 0.340 597 G HA3 0.568 4.527 3.960 -0.001 0.000 0.340 597 G C -0.395 174.460 174.900 -0.075 0.000 1.089 597 G CA -0.282 44.760 45.100 -0.097 0.000 1.144 597 G HN 0.420 nan 8.290 nan 0.000 0.461 598 I N 3.553 124.028 120.570 -0.158 0.000 2.359 598 I HA 0.304 4.474 4.170 -0.001 0.000 0.294 598 I C -1.929 174.236 176.117 0.081 0.000 0.987 598 I CA -2.612 58.646 61.300 -0.070 0.000 1.225 598 I CB 2.604 40.459 38.000 -0.241 0.000 1.366 598 I HN 0.227 nan 8.210 nan 0.000 0.466 599 P HA -0.011 nan 4.420 nan 0.000 0.268 599 P C -0.794 176.679 177.300 0.288 0.000 1.204 599 P CA -0.312 62.931 63.100 0.238 0.000 0.768 599 P CB 0.610 32.454 31.700 0.240 0.000 0.842 600 K N 5.750 126.291 120.400 0.236 0.000 2.382 600 K HA 0.130 4.450 4.320 -0.001 0.000 0.286 600 K C -1.968 174.620 176.600 -0.019 0.000 1.062 600 K CA -1.553 54.750 56.287 0.028 0.000 1.000 600 K CB -0.186 32.179 32.500 -0.224 0.000 0.954 600 K HN 0.341 nan 8.250 nan 0.000 0.470 601 P HA 0.044 nan 4.420 nan 0.000 0.280 601 P C -0.950 176.241 177.300 -0.182 0.000 1.244 601 P CA -0.161 62.909 63.100 -0.049 0.000 0.784 601 P CB 0.498 32.057 31.700 -0.235 0.000 0.913 602 F N 2.311 122.247 119.950 -0.024 0.000 2.467 602 F HA 0.348 4.874 4.527 -0.001 0.000 0.349 602 F C 1.545 177.217 175.800 -0.213 0.000 1.182 602 F CA 0.200 58.155 58.000 -0.075 0.000 1.279 602 F CB -0.036 38.952 39.000 -0.020 0.000 1.626 602 F HN 0.301 nan 8.300 nan 0.000 0.596 603 G N 1.943 110.599 108.800 -0.240 0.000 2.547 603 G HA2 0.427 4.386 3.960 -0.001 0.000 0.291 603 G HA3 0.427 4.386 3.960 -0.001 0.000 0.291 603 G C -2.794 171.958 174.900 -0.247 0.000 1.211 603 G CA -1.730 43.176 45.100 -0.324 0.000 0.950 603 G HN 0.098 nan 8.290 nan 0.000 0.504 604 P HA 0.154 nan 4.420 nan 0.000 0.267 604 P C -0.232 176.954 177.300 -0.189 0.000 1.209 604 P CA -0.238 62.710 63.100 -0.252 0.000 0.763 604 P CB 0.918 32.392 31.700 -0.376 0.000 0.816 605 V N 6.320 126.153 119.914 -0.135 0.000 2.408 605 V HA 0.214 4.334 4.120 -0.001 0.000 0.267 605 V C 0.551 176.587 176.094 -0.095 0.000 1.047 605 V CA 0.157 62.392 62.300 -0.110 0.000 0.937 605 V CB 0.051 31.832 31.823 -0.070 0.000 0.999 605 V HN 0.388 nan 8.190 nan 0.000 0.472 606 I N 4.249 124.740 120.570 -0.132 0.000 2.498 606 I HA 0.427 4.596 4.170 -0.001 0.000 0.290 606 I C 0.392 176.438 176.117 -0.118 0.000 1.032 606 I CA -0.422 60.777 61.300 -0.170 0.000 1.073 606 I CB 1.640 39.401 38.000 -0.399 0.000 1.251 606 I HN 0.675 nan 8.210 nan 0.000 0.426 607 N N 5.027 123.700 118.700 -0.045 0.000 2.714 607 N HA -0.192 4.548 4.740 -0.001 0.000 0.253 607 N C 0.831 176.321 175.510 -0.033 0.000 1.024 607 N CA 1.267 54.303 53.050 -0.022 0.000 0.726 607 N CB -0.675 37.792 38.487 -0.033 0.000 0.908 607 N HN 1.193 nan 8.380 nan 0.000 0.542 608 G N -0.849 107.934 108.800 -0.030 0.000 2.153 608 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.252 608 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.252 608 G C -0.055 174.815 174.900 -0.050 0.000 0.994 608 G CA 0.598 45.680 45.100 -0.031 0.000 0.698 608 G HN 0.606 nan 8.290 nan 0.000 0.521 609 R N -0.851 119.604 120.500 -0.075 0.000 2.536 609 R HA 0.333 4.672 4.340 -0.001 0.000 0.269 609 R C 0.112 176.328 176.300 -0.141 0.000 1.113 609 R CA -0.071 55.967 56.100 -0.103 0.000 0.948 609 R CB 0.808 31.053 30.300 -0.091 0.000 1.237 609 R HN 0.591 nan 8.270 nan 0.000 0.441 610 C N 4.611 123.801 119.300 -0.182 0.000 2.523 610 C HA -0.010 4.450 4.460 -0.001 0.000 0.406 610 C C 2.427 177.287 174.990 -0.216 0.000 1.449 610 C CA -0.084 58.799 59.018 -0.225 0.000 1.588 610 C CB -1.209 26.343 27.740 -0.314 0.000 2.514 610 C HN 0.898 nan 8.230 nan 0.000 0.606 611 C N 4.539 123.732 119.300 -0.178 0.000 2.468 611 C HA 0.056 4.515 4.460 -0.001 0.000 0.277 611 C C 2.139 177.061 174.990 -0.113 0.000 1.400 611 C CA 0.398 59.338 59.018 -0.129 0.000 1.770 611 C CB -1.878 25.805 27.740 -0.095 0.000 1.905 611 C HN 0.925 nan 8.230 nan 0.000 0.519 612 L N 1.173 122.299 121.223 -0.162 0.000 2.023 612 L HA -0.072 4.267 4.340 -0.001 0.000 0.205 612 L C 3.050 179.790 176.870 -0.217 0.000 1.073 612 L CA 1.825 56.559 54.840 -0.176 0.000 0.745 612 L CB -0.731 41.159 42.059 -0.282 0.000 0.900 612 L HN 0.332 nan 8.230 nan 0.000 0.435 613 E N -0.183 119.763 120.200 -0.423 0.000 2.049 613 E HA -0.288 4.061 4.350 -0.001 0.000 0.198 613 E C 2.127 178.583 176.600 -0.240 0.000 1.007 613 E CA 1.356 57.348 56.400 -0.681 0.000 0.809 613 E CB -0.162 28.948 29.700 -0.982 0.000 0.749 613 E HN 0.369 nan 8.360 nan 0.000 0.450 614 E N 0.958 121.049 120.200 -0.182 0.000 2.049 614 E HA -0.251 4.098 4.350 -0.001 0.000 0.198 614 E C 2.043 178.628 176.600 -0.025 0.000 1.007 614 E CA 1.345 57.698 56.400 -0.078 0.000 0.809 614 E CB -0.041 29.607 29.700 -0.086 0.000 0.749 614 E HN -0.061 nan 8.360 nan 0.000 0.450 615 K N 0.422 120.803 120.400 -0.032 0.000 2.057 615 K HA -0.088 4.232 4.320 -0.001 0.000 0.207 615 K C 2.065 178.687 176.600 0.038 0.000 1.049 615 K CA 1.090 57.377 56.287 0.000 0.000 0.931 615 K CB -0.559 31.937 32.500 -0.007 0.000 0.714 615 K HN -0.001 nan 8.250 nan 0.000 0.440 616 V N -0.143 119.812 119.914 0.068 0.000 2.515 616 V HA -0.262 3.857 4.120 -0.001 0.000 0.250 616 V C 2.405 178.585 176.094 0.143 0.000 1.058 616 V CA 1.673 64.055 62.300 0.135 0.000 1.064 616 V CB -0.412 31.560 31.823 0.249 0.000 0.675 616 V HN 0.426 nan 8.190 nan 0.000 0.461 617 C N 0.328 119.721 119.300 0.155 0.000 2.466 617 C HA -0.097 4.363 4.460 -0.001 0.000 0.278 617 C C 3.258 178.289 174.990 0.069 0.000 1.288 617 C CA 1.318 60.414 59.018 0.130 0.000 1.722 617 C CB -0.910 26.914 27.740 0.139 0.000 2.017 617 C HN 0.737 nan 8.230 nan 0.000 0.488 618 S N 0.342 116.072 115.700 0.049 0.000 2.469 618 S HA -0.039 4.431 4.470 -0.001 0.000 0.238 618 S C 1.552 176.171 174.600 0.031 0.000 0.998 618 S CA 1.295 59.514 58.200 0.031 0.000 0.957 618 S CB -0.508 62.703 63.200 0.019 0.000 0.764 618 S HN 0.658 nan 8.310 nan 0.000 0.514 619 L N -0.301 120.947 121.223 0.041 0.000 2.253 619 L HA 0.292 4.631 4.340 -0.001 0.000 0.205 619 L C 2.225 179.115 176.870 0.034 0.000 1.078 619 L CA 0.635 55.496 54.840 0.036 0.000 0.805 619 L CB -0.147 41.938 42.059 0.043 0.000 0.963 619 L HN 0.311 nan 8.230 nan 0.000 0.459 620 L N -1.660 119.587 121.223 0.040 0.000 2.537 620 L HA 0.081 4.421 4.340 -0.001 0.000 0.224 620 L C 2.153 179.036 176.870 0.021 0.000 1.065 620 L CA 0.193 55.051 54.840 0.031 0.000 0.860 620 L CB -0.170 41.908 42.059 0.032 0.000 1.086 620 L HN 0.131 nan 8.230 nan 0.000 0.482 621 E N 1.139 121.355 120.200 0.026 0.000 2.085 621 E HA -0.198 4.152 4.350 -0.001 0.000 0.194 621 E C -0.758 175.849 176.600 0.011 0.000 0.994 621 E CA 1.271 57.682 56.400 0.018 0.000 0.801 621 E CB -0.779 28.936 29.700 0.026 0.000 0.743 621 E HN 0.432 nan 8.360 nan 0.000 0.453 622 P HA -0.106 nan 4.420 nan 0.000 0.228 622 P C 0.840 178.141 177.300 0.003 0.000 1.151 622 P CA 0.963 64.066 63.100 0.006 0.000 0.770 622 P CB 0.044 31.749 31.700 0.007 0.000 0.786 623 L N -2.476 118.750 121.223 0.004 0.000 2.558 623 L HA 0.273 4.613 4.340 -0.001 0.000 0.225 623 L C 1.323 178.190 176.870 -0.004 0.000 1.128 623 L CA 0.652 55.493 54.840 0.002 0.000 0.868 623 L CB -0.746 41.319 42.059 0.010 0.000 1.006 623 L HN 0.110 nan 8.230 nan 0.000 0.454 624 G N 0.318 109.113 108.800 -0.008 0.000 2.130 624 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.216 624 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.216 624 G C -0.341 174.538 174.900 -0.035 0.000 0.999 624 G CA -0.544 44.544 45.100 -0.020 0.000 0.686 624 G HN 0.039 nan 8.290 nan 0.000 0.515 625 L N 0.436 121.645 121.223 -0.024 0.000 2.322 625 L HA 0.591 4.931 4.340 -0.001 0.000 0.279 625 L C 0.520 177.372 176.870 -0.029 0.000 1.036 625 L CA -0.687 54.132 54.840 -0.036 0.000 0.807 625 L CB 1.673 43.722 42.059 -0.017 0.000 1.226 625 L HN 0.342 nan 8.230 nan 0.000 0.433 626 Q N 1.968 121.746 119.800 -0.037 0.000 2.368 626 Q HA 0.318 4.657 4.340 -0.001 0.000 0.256 626 Q C -1.318 174.660 176.000 -0.038 0.000 0.980 626 Q CA -0.446 55.355 55.803 -0.003 0.000 0.887 626 Q CB 0.992 29.770 28.738 0.066 0.000 1.221 626 Q HN 0.692 nan 8.270 nan 0.000 0.458 627 C N 3.628 122.874 119.300 -0.090 0.000 2.281 627 C HA 0.369 4.829 4.460 -0.001 0.000 0.336 627 C C 0.351 175.116 174.990 -0.375 0.000 1.217 627 C CA -0.477 58.363 59.018 -0.296 0.000 1.730 627 C CB 0.043 27.573 27.740 -0.350 0.000 2.338 627 C HN 0.640 nan 8.230 nan 0.000 0.521 628 T N 4.352 118.679 114.554 -0.378 0.000 2.743 628 T HA 0.396 4.745 4.350 -0.001 0.000 0.292 628 T C -0.372 174.075 174.700 -0.421 0.000 0.972 628 T CA 0.044 61.982 62.100 -0.269 0.000 0.967 628 T CB 0.105 68.888 68.868 -0.141 0.000 0.926 628 T HN 0.377 nan 8.240 nan 0.000 0.459 629 F N 3.465 123.400 119.950 -0.026 0.000 2.411 629 F HA 0.483 5.009 4.527 -0.001 0.000 0.355 629 F C 0.561 176.345 175.800 -0.026 0.000 1.117 629 F CA -0.900 57.078 58.000 -0.036 0.000 1.139 629 F CB 0.498 39.451 39.000 -0.079 0.000 1.120 629 F HN 0.341 nan 8.300 nan 0.000 0.493 630 I N 3.293 123.943 120.570 0.134 0.000 2.378 630 I HA 0.186 4.356 4.170 -0.001 0.000 0.291 630 I C -0.053 176.204 176.117 0.235 0.000 0.992 630 I CA -0.975 60.396 61.300 0.118 0.000 1.154 630 I CB 1.317 39.323 38.000 0.011 0.000 1.315 630 I HN 0.462 nan 8.210 nan 0.000 0.448 631 N N 5.896 124.766 118.700 0.282 0.000 2.416 631 N HA -0.045 4.694 4.740 -0.001 0.000 0.271 631 N C -0.004 175.804 175.510 0.497 0.000 1.245 631 N CA 0.235 53.550 53.050 0.441 0.000 0.940 631 N CB 0.380 39.133 38.487 0.443 0.000 1.175 631 N HN 0.596 nan 8.380 nan 0.000 0.483 632 D N 2.811 123.528 120.400 0.527 0.000 2.513 632 D HA -0.037 4.603 4.640 -0.001 0.000 0.222 632 D C 1.065 177.651 176.300 0.477 0.000 1.210 632 D CA -0.388 53.940 54.000 0.547 0.000 0.825 632 D CB -0.734 40.357 40.800 0.485 0.000 1.037 632 D HN 0.350 nan 8.370 nan 0.000 0.506 633 F N 0.611 120.728 119.950 0.280 0.000 2.060 633 F HA 0.100 4.626 4.527 -0.001 0.000 0.295 633 F C 1.353 177.125 175.800 -0.048 0.000 1.120 633 F CA 1.379 59.419 58.000 0.067 0.000 1.205 633 F CB -0.100 38.758 39.000 -0.237 0.000 0.986 633 F HN -0.113 nan 8.300 nan 0.000 0.470 634 F N -1.282 118.900 119.950 0.386 0.000 2.797 634 F HA 0.041 4.567 4.527 -0.001 0.000 0.302 634 F C 2.293 178.137 175.800 0.074 0.000 1.130 634 F CA 0.800 58.925 58.000 0.208 0.000 1.387 634 F CB -0.161 38.932 39.000 0.154 0.000 1.107 634 F HN 0.025 nan 8.300 nan 0.000 0.577 635 T N -1.971 112.717 114.554 0.224 0.000 3.045 635 T HA -0.020 4.330 4.350 -0.001 0.000 0.239 635 T C 1.436 176.026 174.700 -0.183 0.000 1.008 635 T CA 1.106 63.206 62.100 -0.000 0.000 1.143 635 T CB -0.076 68.799 68.868 0.011 0.000 0.894 635 T HN 0.161 nan 8.240 nan 0.000 0.451 636 Y N -0.658 119.688 120.300 0.078 0.000 2.576 636 Y HA 0.321 4.870 4.550 -0.001 0.000 0.282 636 Y C 2.422 178.486 175.900 0.274 0.000 1.139 636 Y CA 0.553 58.741 58.100 0.147 0.000 1.265 636 Y CB -0.713 37.794 38.460 0.078 0.000 1.376 636 Y HN 0.339 nan 8.280 nan 0.000 0.511 637 H N 0.758 119.938 119.070 0.184 0.000 2.353 637 H HA -0.172 4.384 4.556 -0.001 0.000 0.300 637 H C 2.069 177.294 175.328 -0.171 0.000 1.090 637 H CA 2.144 58.165 56.048 -0.046 0.000 1.327 637 H CB -0.413 29.162 29.762 -0.312 0.000 1.383 637 H HN 0.383 nan 8.280 nan 0.000 0.508 638 I N -0.180 120.213 120.570 -0.295 0.000 2.700 638 I HA -0.141 4.029 4.170 -0.001 0.000 0.261 638 I C 0.793 176.890 176.117 -0.033 0.000 1.219 638 I CA 1.030 62.162 61.300 -0.280 0.000 1.463 638 I CB -0.058 37.888 38.000 -0.090 0.000 1.092 638 I HN 0.131 nan 8.210 nan 0.000 0.452 639 R N -0.127 120.466 120.500 0.155 0.000 2.609 639 R HA 0.162 4.502 4.340 -0.001 0.000 0.326 639 R C -0.415 176.154 176.300 0.447 0.000 1.090 639 R CA -0.093 56.257 56.100 0.416 0.000 1.072 639 R CB -0.210 30.367 30.300 0.463 0.000 1.330 639 R HN 0.414 nan 8.270 nan 0.000 0.572 640 H N -3.379 115.651 119.070 -0.068 0.000 2.969 640 H HA -0.139 4.416 4.556 -0.001 0.000 0.269 640 H C 0.301 175.513 175.328 -0.192 0.000 1.230 640 H CA 0.862 56.812 56.048 -0.162 0.000 1.123 640 H CB -1.625 28.015 29.762 -0.204 0.000 1.289 640 H HN 0.512 nan 8.280 nan 0.000 0.364 641 G N -1.827 107.041 108.800 0.114 0.000 2.663 641 G HA2 0.629 4.588 3.960 -0.001 0.000 0.299 641 G HA3 0.629 4.588 3.960 -0.001 0.000 0.299 641 G C -0.881 174.317 174.900 0.497 0.000 1.372 641 G CA -0.601 44.617 45.100 0.196 0.000 0.781 641 G HN 0.061 nan 8.290 nan 0.000 0.491 642 E N -1.563 118.920 120.200 0.472 0.000 2.378 642 E HA 0.373 4.723 4.350 -0.001 0.000 0.173 642 E C 1.627 178.394 176.600 0.278 0.000 0.853 642 E CA -0.535 56.091 56.400 0.376 0.000 0.866 642 E CB 0.247 30.127 29.700 0.300 0.000 2.077 642 E HN 0.150 nan 8.360 nan 0.000 0.408 643 V N 1.159 121.223 119.914 0.250 0.000 2.427 643 V HA -0.209 3.910 4.120 -0.001 0.000 0.248 643 V C 2.331 178.573 176.094 0.245 0.000 1.051 643 V CA 1.961 64.403 62.300 0.237 0.000 1.048 643 V CB -0.716 31.202 31.823 0.158 0.000 0.666 643 V HN 0.541 nan 8.190 nan 0.000 0.456 644 H N 0.443 119.614 119.070 0.168 0.000 2.357 644 H HA -0.113 4.442 4.556 -0.001 0.000 0.301 644 H C 2.272 177.729 175.328 0.215 0.000 1.082 644 H CA 1.610 57.756 56.048 0.164 0.000 1.342 644 H CB 0.198 30.044 29.762 0.140 0.000 1.389 644 H HN 0.405 nan 8.280 nan 0.000 0.511 645 A N 0.292 123.306 122.820 0.324 0.000 1.972 645 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 645 A C 2.485 180.345 177.584 0.459 0.000 1.169 645 A CA 1.469 53.739 52.037 0.388 0.000 0.635 645 A CB -0.869 18.430 19.000 0.498 0.000 0.810 645 A HN 0.526 nan 8.150 nan 0.000 0.446 646 G N -1.192 107.800 108.800 0.320 0.000 3.141 646 G HA2 0.365 4.324 3.960 -0.001 0.000 0.218 646 G HA3 0.365 4.324 3.960 -0.001 0.000 0.218 646 G C 0.582 175.581 174.900 0.166 0.000 1.170 646 G CA 1.021 46.226 45.100 0.175 0.000 0.769 646 G HN 0.763 nan 8.290 nan 0.000 0.546 647 T N -3.257 111.377 114.554 0.133 0.000 0.000 647 T HA 0.659 5.008 4.350 -0.001 0.000 0.000 647 T C -1.313 173.424 174.700 0.062 0.000 0.000 647 T CA -1.025 61.145 62.100 0.116 0.000 0.000 647 T CB 2.875 71.810 68.868 0.113 0.000 0.000 647 T HN -0.061 nan 8.240 nan 0.000 0.000 648 N N -1.135 117.655 118.700 0.151 0.000 2.745 648 N HA 0.562 5.301 4.740 -0.001 0.000 0.256 648 N C -2.104 173.612 175.510 0.343 0.000 1.268 648 N CA -0.381 52.774 53.050 0.175 0.000 0.887 648 N CB 2.492 41.059 38.487 0.132 0.000 1.575 648 N HN 0.693 nan 8.380 nan 0.000 0.496 649 V N 1.644 121.737 119.914 0.298 0.000 2.686 649 V HA 0.515 4.635 4.120 -0.001 0.000 0.306 649 V C 0.063 176.349 176.094 0.319 0.000 1.065 649 V CA -0.827 61.654 62.300 0.302 0.000 0.894 649 V CB 2.024 33.956 31.823 0.183 0.000 1.004 649 V HN 0.577 nan 8.190 nan 0.000 0.424 650 R N 3.928 124.657 120.500 0.381 0.000 2.297 650 R HA 0.654 4.994 4.340 -0.001 0.000 0.308 650 R C -0.419 175.966 176.300 0.141 0.000 1.029 650 R CA -0.438 55.843 56.100 0.303 0.000 0.929 650 R CB 0.854 31.404 30.300 0.417 0.000 1.046 650 R HN 0.755 nan 8.270 nan 0.000 0.461 651 R N 2.532 123.071 120.500 0.065 0.000 2.892 651 R HA 0.282 4.622 4.340 -0.001 0.000 0.265 651 R C -0.848 175.388 176.300 -0.107 0.000 1.025 651 R CA -1.103 54.983 56.100 -0.024 0.000 0.982 651 R CB 1.490 31.759 30.300 -0.052 0.000 1.185 651 R HN 0.424 nan 8.270 nan 0.000 0.484 652 K N 2.187 122.495 120.400 -0.154 0.000 2.412 652 K HA 0.133 4.453 4.320 -0.001 0.000 0.281 652 K C -2.219 174.149 176.600 -0.385 0.000 1.027 652 K CA -1.349 54.806 56.287 -0.221 0.000 0.989 652 K CB 0.508 32.905 32.500 -0.171 0.000 0.935 652 K HN 0.174 nan 8.250 nan 0.000 0.475 653 P HA -0.030 nan 4.420 nan 0.000 0.269 653 P C -0.698 176.300 177.300 -0.502 0.000 1.209 653 P CA 0.043 62.579 63.100 -0.939 0.000 0.776 653 P CB 0.302 31.164 31.700 -1.396 0.000 0.876 654 F N 0.490 120.306 119.950 -0.223 0.000 2.607 654 F HA -0.074 4.454 4.527 0.001 0.000 0.374 654 F C 1.958 177.751 175.800 -0.013 0.000 1.104 654 F CA 0.714 58.703 58.000 -0.019 0.000 1.296 654 F CB -0.034 39.036 39.000 0.118 0.000 1.085 654 F HN 0.326 nan 8.300 nan 0.000 0.584 655 S N 2.698 118.518 115.700 0.201 0.000 2.402 655 S HA -0.183 4.287 4.470 -0.001 0.000 0.229 655 S C 0.478 175.149 174.600 0.117 0.000 1.021 655 S CA 0.176 58.442 58.200 0.110 0.000 0.974 655 S CB -0.467 62.779 63.200 0.077 0.000 0.800 655 S HN 0.504 nan 8.310 nan 0.000 0.484 656 F N 3.849 123.820 119.950 0.035 0.000 2.538 656 F HA 0.229 4.754 4.527 -0.003 0.000 0.371 656 F C 0.237 175.952 175.800 -0.142 0.000 1.087 656 F CA -0.510 57.447 58.000 -0.072 0.000 1.250 656 F CB 0.516 39.464 39.000 -0.086 0.000 1.110 656 F HN -0.209 nan 8.300 nan 0.000 0.570 657 K N 8.322 128.272 120.400 -0.750 0.000 2.227 657 K HA -0.024 4.296 4.320 -0.001 0.000 0.280 657 K C 1.022 177.082 176.600 -0.899 0.000 1.041 657 K CA -0.423 55.247 56.287 -1.029 0.000 0.905 657 K CB 0.660 32.016 32.500 -1.906 0.000 1.068 657 K HN 0.895 nan 8.250 nan 0.000 0.470 658 W N 3.334 124.450 121.300 -0.308 0.000 2.350 658 W HA -0.213 4.447 4.660 -0.000 0.000 0.289 658 W C 1.004 177.700 176.519 0.294 0.000 1.215 658 W CA 0.735 58.155 57.345 0.124 0.000 1.236 658 W CB -0.968 28.612 29.460 0.200 0.000 1.130 658 W HN 0.761 nan 8.180 nan 0.000 0.541 659 W N 2.116 123.017 121.300 -0.665 0.000 2.595 659 W HA 0.091 4.750 4.660 -0.002 0.000 0.257 659 W C 1.214 177.715 176.519 -0.031 0.000 1.267 659 W CA 0.899 57.929 57.345 -0.525 0.000 1.300 659 W CB -1.771 27.117 29.460 -0.953 0.000 1.120 659 W HN -0.283 nan 8.180 nan 0.000 0.618 660 N N 0.828 119.354 118.700 -0.290 0.000 2.461 660 N HA 0.022 4.761 4.740 -0.001 0.000 0.188 660 N C 0.293 175.931 175.510 0.213 0.000 1.134 660 N CA 0.406 53.374 53.050 -0.137 0.000 0.878 660 N CB -0.265 37.856 38.487 -0.611 0.000 0.972 660 N HN 0.329 nan 8.380 nan 0.000 0.456 661 M N 0.803 120.657 119.600 0.424 0.000 2.291 661 M HA 0.153 4.633 4.480 -0.001 0.000 0.324 661 M C -0.031 176.414 176.300 0.242 0.000 1.148 661 M CA -0.451 55.062 55.300 0.355 0.000 1.104 661 M CB 1.242 34.031 32.600 0.316 0.000 1.483 661 M HN -0.104 nan 8.290 nan 0.000 0.467 662 V N 2.516 122.437 119.914 0.012 0.000 2.260 662 V HA 0.540 4.660 4.120 -0.001 0.000 0.263 662 V C -2.310 173.596 176.094 -0.313 0.000 1.036 662 V CA -1.476 60.754 62.300 -0.118 0.000 0.874 662 V CB -0.710 31.098 31.823 -0.025 0.000 1.116 662 V HN 0.738 nan 8.190 nan 0.000 0.454 663 P HA 0.000 nan 4.420 nan 0.000 0.216 663 P CA 0.000 62.834 63.100 -0.443 0.000 0.800 663 P CB 0.000 31.352 31.700 -0.580 0.000 0.726