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 1q8i_1_A DATA FIRST_RESID 2 DATA SEQUENCE AQAGFILTRH WRDTPQGTEV SFWLATDNGP LQVTLAPQES VAFIPADQVP DATA SEQUENCE RAQHILQGEQ GFRLTPLALK DFHRQPVYGL YCRAHRQLMN YEKRLREGGV DATA SEQUENCE TVYEADVRPP ERYLMERFIT SPVWVEGDMH NGTIVNARLK PHPDYRPPLK DATA SEQUENCE WVSIDIETTR HGELYCIGLE GCGQRIVYML GPENGDASSL DFELEYVASR DATA SEQUENCE PQLLEKLNAW FANYDPDVII GWNVVQFDLR MLQKHAERYR LPLRLGRDNS DATA SEQUENCE ELEWREHGFK NGVFFAQAKG RLIIDGIEAL KSAFWNFSSF SLETVAQELL DATA SEQUENCE XXXXXXXXXX XXMDEIDRRF AEDKPALATY NLKDCELVTQ IFHKTEIMPF DATA SEQUENCE LLERATVNGL PVDRHGGSVA AFGHLYFPRM HRAGYVAPNL GEVPPHASPG DATA SEQUENCE GYVMDSRPGL YDSVLVLDYK SLYPSIVRTF LIDPVGLVEG MAQPDPEHST DATA SEQUENCE EGFLDAWFSR EKHCLPEIVT NIWHGRDEAK RQGNKPLSQA LKIIMNAFYG DATA SEQUENCE VLGTTACRFF DPRLASSITM RGHQIMRQTK ALIEAQGYDV IYGDTDSTFV DATA SEQUENCE WLKGAHSEEE AAKIGRALVQ HVNAWWAETL QKQRLTSALE LEYETHFCRF DATA SEQUENCE LMPTIRGADT GSKKRYAGLI QEGDKQRMVF KGLETXXTDW TPLAQQFQQE DATA SEQUENCE LYLRIFRNEP YQEYVRETID KLMAGELDAR LVYXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXSPLDYEH DATA SEQUENCE YLTRQLQPVA EGILPFIEDN FATLMTGQLG LF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.702 177.584 0.196 0.000 1.274 2 A CA 0.000 52.057 52.037 0.034 0.000 0.836 2 A CB 0.000 19.018 19.000 0.031 0.000 0.831 3 Q N -0.464 119.523 119.800 0.312 0.000 2.285 3 Q HA 0.695 5.035 4.340 -0.000 0.000 0.269 3 Q C -0.727 175.407 176.000 0.223 0.000 1.030 3 Q CA 0.242 56.196 55.803 0.251 0.000 0.788 3 Q CB 1.953 30.767 28.738 0.125 0.000 1.266 3 Q HN 1.776 nan 8.270 nan 0.000 0.438 4 A N 2.329 125.145 122.820 -0.006 0.000 2.327 4 A HA 0.895 5.214 4.320 -0.000 0.000 0.283 4 A C 0.072 177.244 177.584 -0.686 0.000 1.127 4 A CA 0.446 52.161 52.037 -0.536 0.000 0.810 4 A CB 0.714 19.193 19.000 -0.869 0.000 1.066 4 A HN 0.873 nan 8.150 nan 0.000 0.492 5 G N -0.622 107.761 108.800 -0.695 0.000 2.608 5 G HA2 0.540 4.499 3.960 -0.000 0.000 0.291 5 G HA3 0.540 4.499 3.960 -0.000 0.000 0.291 5 G C -1.793 173.141 174.900 0.057 0.000 1.425 5 G CA -0.486 44.435 45.100 -0.298 0.000 0.787 5 G HN 0.892 nan 8.290 nan 0.000 0.484 6 F N 0.945 120.989 119.950 0.158 0.000 2.539 6 F HA 0.599 5.126 4.527 -0.000 0.000 0.328 6 F C 0.169 176.044 175.800 0.125 0.000 1.148 6 F CA -0.979 57.121 58.000 0.166 0.000 0.940 6 F CB 1.288 40.418 39.000 0.216 0.000 1.194 6 F HN 0.369 nan 8.300 nan 0.000 0.438 7 I N 7.429 127.960 120.570 -0.066 0.000 2.668 7 I HA -0.087 4.082 4.170 -0.000 0.000 0.285 7 I C 0.703 176.954 176.117 0.223 0.000 1.168 7 I CA 0.551 61.886 61.300 0.058 0.000 1.424 7 I CB 0.622 38.564 38.000 -0.097 0.000 1.377 7 I HN 0.782 nan 8.210 nan 0.000 0.560 8 L N 4.791 126.206 121.223 0.320 0.000 2.262 8 L HA 0.124 4.464 4.340 -0.000 0.000 0.197 8 L C 0.957 177.973 176.870 0.243 0.000 1.073 8 L CA 0.723 55.748 54.840 0.309 0.000 0.800 8 L CB -0.176 42.073 42.059 0.316 0.000 0.987 8 L HN 0.743 nan 8.230 nan 0.000 0.470 9 T N -1.576 113.163 114.554 0.308 0.000 2.906 9 T HA 0.655 5.005 4.350 -0.000 0.000 0.295 9 T C -0.583 174.219 174.700 0.171 0.000 1.075 9 T CA -0.848 61.368 62.100 0.192 0.000 1.005 9 T CB 2.760 71.769 68.868 0.235 0.000 1.136 9 T HN 0.016 nan 8.240 nan 0.000 0.498 10 R N 0.653 121.039 120.500 -0.191 0.000 2.750 10 R HA 0.712 5.051 4.340 -0.000 0.000 0.281 10 R C -0.776 175.137 176.300 -0.644 0.000 0.972 10 R CA -1.000 55.030 56.100 -0.117 0.000 0.912 10 R CB 1.640 32.018 30.300 0.130 0.000 1.187 10 R HN 0.709 nan 8.270 nan 0.000 0.464 11 H N 1.446 120.488 119.070 -0.046 0.000 3.046 11 H HA 0.387 4.943 4.556 -0.000 0.000 0.361 11 H C -1.131 174.184 175.328 -0.022 0.000 1.235 11 H CA -0.805 55.213 56.048 -0.049 0.000 1.146 11 H CB 2.534 32.272 29.762 -0.040 0.000 1.859 11 H HN 0.709 nan 8.280 nan 0.000 0.548 12 W N 1.120 122.416 121.300 -0.007 0.000 3.213 12 W HA 0.632 5.291 4.660 -0.000 0.000 0.318 12 W C -1.653 174.858 176.519 -0.014 0.000 1.248 12 W CA -1.025 56.286 57.345 -0.056 0.000 1.187 12 W CB 2.042 31.435 29.460 -0.113 0.000 1.403 12 W HN 0.748 nan 8.180 nan 0.000 0.556 13 R N 1.038 121.622 120.500 0.139 0.000 2.566 13 R HA 0.348 4.687 4.340 -0.000 0.000 0.271 13 R C -1.335 175.094 176.300 0.216 0.000 1.071 13 R CA -0.721 55.384 56.100 0.008 0.000 0.915 13 R CB 1.968 32.226 30.300 -0.070 0.000 1.228 13 R HN 0.106 nan 8.270 nan 0.000 0.449 14 D N 2.371 122.923 120.400 0.254 0.000 2.345 14 D HA 0.272 4.911 4.640 -0.000 0.000 0.247 14 D C -0.017 176.349 176.300 0.109 0.000 1.108 14 D CA 0.489 54.616 54.000 0.212 0.000 0.894 14 D CB 1.786 42.721 40.800 0.225 0.000 1.203 14 D HN 0.691 nan 8.370 nan 0.000 0.430 15 T N -1.736 112.870 114.554 0.088 0.000 2.883 15 T HA 0.441 4.790 4.350 -0.000 0.000 0.296 15 T C -2.198 172.532 174.700 0.051 0.000 1.117 15 T CA -1.650 60.484 62.100 0.056 0.000 1.006 15 T CB 1.739 70.633 68.868 0.043 0.000 1.191 15 T HN -0.122 nan 8.240 nan 0.000 0.508 16 P HA -0.110 nan 4.420 nan 0.000 0.218 16 P C 1.156 178.476 177.300 0.033 0.000 1.146 16 P CA 1.091 64.212 63.100 0.035 0.000 0.813 16 P CB 0.115 31.831 31.700 0.027 0.000 0.778 17 Q N -0.523 119.296 119.800 0.031 0.000 2.320 17 Q HA 0.279 4.619 4.340 -0.000 0.000 0.201 17 Q C 0.373 176.393 176.000 0.033 0.000 0.910 17 Q CA 0.322 56.141 55.803 0.027 0.000 0.946 17 Q CB -0.066 28.684 28.738 0.019 0.000 1.062 17 Q HN 0.126 nan 8.270 nan 0.000 0.503 18 G N -0.207 108.621 108.800 0.046 0.000 2.479 18 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.686 18 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.686 18 G C -0.850 174.092 174.900 0.071 0.000 1.295 18 G CA -0.534 44.599 45.100 0.055 0.000 0.922 18 G HN 0.069 nan 8.290 nan 0.000 0.582 19 T N 2.076 116.680 114.554 0.084 0.000 2.752 19 T HA 0.409 4.759 4.350 -0.000 0.000 0.295 19 T C 0.396 175.149 174.700 0.088 0.000 0.923 19 T CA 0.184 62.356 62.100 0.121 0.000 1.112 19 T CB 0.684 69.630 68.868 0.130 0.000 0.884 19 T HN 0.446 nan 8.240 nan 0.000 0.525 20 E N 2.570 122.823 120.200 0.089 0.000 2.223 20 E HA 0.288 4.638 4.350 -0.000 0.000 0.282 20 E C -0.587 176.032 176.600 0.032 0.000 1.046 20 E CA -0.370 56.052 56.400 0.036 0.000 0.857 20 E CB 1.149 30.861 29.700 0.019 0.000 1.055 20 E HN 0.272 nan 8.360 nan 0.000 0.409 21 V N 3.119 122.999 119.914 -0.056 0.000 2.459 21 V HA 0.338 4.458 4.120 -0.000 0.000 0.295 21 V C -0.018 175.864 176.094 -0.353 0.000 1.029 21 V CA -0.364 61.835 62.300 -0.168 0.000 0.874 21 V CB 1.572 33.269 31.823 -0.210 0.000 0.985 21 V HN 0.781 nan 8.190 nan 0.000 0.438 22 S N 4.331 119.747 115.700 -0.474 0.000 2.588 22 S HA 0.876 5.345 4.470 -0.000 0.000 0.275 22 S C -1.296 172.957 174.600 -0.579 0.000 1.130 22 S CA -0.700 57.227 58.200 -0.456 0.000 0.855 22 S CB 1.967 65.061 63.200 -0.178 0.000 1.116 22 S HN 0.307 nan 8.310 nan 0.000 0.472 23 F N -0.442 119.555 119.950 0.080 0.000 2.588 23 F HA 0.637 5.164 4.527 -0.000 0.000 0.310 23 F C -1.227 174.600 175.800 0.046 0.000 1.082 23 F CA -0.801 57.295 58.000 0.160 0.000 0.929 23 F CB 1.507 40.562 39.000 0.092 0.000 1.254 23 F HN 0.613 nan 8.300 nan 0.000 0.455 24 W N 4.040 125.565 121.300 0.375 0.000 2.376 24 W HA 0.730 5.390 4.660 -0.000 0.000 0.312 24 W C -1.131 175.531 176.519 0.238 0.000 1.060 24 W CA -0.446 57.052 57.345 0.254 0.000 1.221 24 W CB 1.278 30.873 29.460 0.226 0.000 1.281 24 W HN 0.167 nan 8.180 nan 0.000 0.456 25 L N 3.527 124.958 121.223 0.348 0.000 2.334 25 L HA 0.818 5.158 4.340 -0.000 0.000 0.273 25 L C 0.307 177.365 176.870 0.312 0.000 1.013 25 L CA -1.412 53.600 54.840 0.288 0.000 0.816 25 L CB 1.381 43.542 42.059 0.170 0.000 1.278 25 L HN 0.419 nan 8.230 nan 0.000 0.431 26 A N 1.350 124.367 122.820 0.328 0.000 2.260 26 A HA 0.660 4.979 4.320 -0.000 0.000 0.308 26 A C 0.062 177.826 177.584 0.299 0.000 1.254 26 A CA -0.320 51.890 52.037 0.289 0.000 0.874 26 A CB 0.682 19.836 19.000 0.256 0.000 1.153 26 A HN 0.770 nan 8.150 nan 0.000 0.527 27 T N -1.166 113.526 114.554 0.230 0.000 2.910 27 T HA 0.447 4.797 4.350 -0.000 0.000 0.287 27 T C 0.074 174.902 174.700 0.214 0.000 1.050 27 T CA -0.424 61.796 62.100 0.201 0.000 1.011 27 T CB 1.164 70.091 68.868 0.099 0.000 1.195 27 T HN 0.295 nan 8.240 nan 0.000 0.540 28 D N 0.273 120.799 120.400 0.211 0.000 2.309 28 D HA -0.000 4.640 4.640 -0.000 0.000 0.212 28 D C 0.829 177.198 176.300 0.116 0.000 0.968 28 D CA 1.119 55.222 54.000 0.172 0.000 0.882 28 D CB -0.271 40.631 40.800 0.170 0.000 0.918 28 D HN 0.614 nan 8.370 nan 0.000 0.503 29 N N -0.312 118.451 118.700 0.106 0.000 2.321 29 N HA 0.398 5.138 4.740 -0.000 0.000 0.242 29 N C 0.290 175.853 175.510 0.089 0.000 1.141 29 N CA 0.129 53.230 53.050 0.085 0.000 0.864 29 N CB 1.347 39.878 38.487 0.073 0.000 1.100 29 N HN 0.106 nan 8.380 nan 0.000 0.510 30 G N 1.020 109.884 108.800 0.107 0.000 2.610 30 G HA2 -0.175 3.784 3.960 -0.000 0.000 0.304 30 G HA3 -0.175 3.784 3.960 -0.000 0.000 0.304 30 G C -2.991 172.004 174.900 0.158 0.000 1.309 30 G CA -1.145 44.026 45.100 0.118 0.000 0.906 30 G HN -0.003 nan 8.290 nan 0.000 0.521 31 P HA 0.562 nan 4.420 nan 0.000 0.275 31 P C -0.777 176.682 177.300 0.264 0.000 1.228 31 P CA -0.113 63.165 63.100 0.296 0.000 0.786 31 P CB 1.666 33.593 31.700 0.378 0.000 0.927 32 L N 1.626 122.986 121.223 0.227 0.000 2.476 32 L HA 0.369 4.709 4.340 -0.000 0.000 0.269 32 L C -0.485 176.243 176.870 -0.235 0.000 0.965 32 L CA -0.579 54.271 54.840 0.016 0.000 0.845 32 L CB 1.968 44.046 42.059 0.032 0.000 1.259 32 L HN 0.334 nan 8.230 nan 0.000 0.403 33 Q N 3.128 122.537 119.800 -0.652 0.000 2.261 33 Q HA 0.696 5.036 4.340 -0.000 0.000 0.252 33 Q C -1.685 174.058 176.000 -0.428 0.000 0.915 33 Q CA -0.499 54.678 55.803 -1.043 0.000 0.915 33 Q CB 1.550 29.382 28.738 -1.510 0.000 1.204 33 Q HN 0.639 nan 8.270 nan 0.000 0.421 34 V N 3.239 122.987 119.914 -0.277 0.000 2.686 34 V HA 0.471 4.591 4.120 -0.000 0.000 0.306 34 V C -0.479 175.585 176.094 -0.050 0.000 1.065 34 V CA -0.573 61.686 62.300 -0.069 0.000 0.894 34 V CB 2.158 34.026 31.823 0.076 0.000 1.004 34 V HN 0.995 nan 8.190 nan 0.000 0.424 35 T N 3.195 117.719 114.554 -0.050 0.000 2.893 35 T HA 0.817 5.167 4.350 -0.000 0.000 0.291 35 T C -0.688 173.980 174.700 -0.052 0.000 1.028 35 T CA -0.688 61.368 62.100 -0.074 0.000 0.995 35 T CB 1.537 70.359 68.868 -0.077 0.000 1.051 35 T HN 0.340 nan 8.240 nan 0.000 0.470 36 L N 1.812 122.975 121.223 -0.099 0.000 2.387 36 L HA 0.733 5.073 4.340 -0.000 0.000 0.266 36 L C 1.174 178.008 176.870 -0.061 0.000 1.059 36 L CA -1.476 53.303 54.840 -0.103 0.000 0.801 36 L CB 0.814 42.738 42.059 -0.225 0.000 1.223 36 L HN 0.979 nan 8.230 nan 0.000 0.456 37 A N 1.381 124.181 122.820 -0.034 0.000 2.448 37 A HA 0.365 4.684 4.320 -0.000 0.000 0.239 37 A C -2.260 175.318 177.584 -0.010 0.000 1.080 37 A CA -0.929 51.101 52.037 -0.013 0.000 0.779 37 A CB -0.781 18.223 19.000 0.006 0.000 1.026 37 A HN 0.448 nan 8.150 nan 0.000 0.499 38 P HA 0.068 nan 4.420 nan 0.000 0.264 38 P C -0.805 176.514 177.300 0.033 0.000 1.183 38 P CA 0.538 63.650 63.100 0.019 0.000 0.763 38 P CB 0.323 32.038 31.700 0.026 0.000 0.807 39 Q N 2.177 122.002 119.800 0.041 0.000 2.316 39 Q HA 0.287 4.626 4.340 -0.000 0.000 0.264 39 Q C -0.026 176.020 176.000 0.076 0.000 0.987 39 Q CA -0.519 55.323 55.803 0.065 0.000 0.852 39 Q CB 1.852 30.629 28.738 0.065 0.000 1.287 39 Q HN 0.472 nan 8.270 nan 0.000 0.448 40 E N 0.839 121.101 120.200 0.103 0.000 2.383 40 E HA 0.220 4.570 4.350 -0.000 0.000 0.264 40 E C -0.478 176.188 176.600 0.110 0.000 1.050 40 E CA 0.003 56.479 56.400 0.127 0.000 0.896 40 E CB 0.867 30.690 29.700 0.204 0.000 0.982 40 E HN 0.366 nan 8.360 nan 0.000 0.424 41 S N 1.224 116.964 115.700 0.067 0.000 2.554 41 S HA 0.357 4.827 4.470 -0.000 0.000 0.278 41 S C -0.695 173.851 174.600 -0.089 0.000 1.242 41 S CA -0.725 57.483 58.200 0.012 0.000 1.051 41 S CB 1.555 64.772 63.200 0.028 0.000 0.986 41 S HN 0.293 nan 8.310 nan 0.000 0.502 42 V N 1.854 121.639 119.914 -0.216 0.000 2.789 42 V HA 0.909 5.028 4.120 -0.000 0.000 0.311 42 V C -0.501 175.237 176.094 -0.594 0.000 1.073 42 V CA -0.385 61.594 62.300 -0.535 0.000 0.921 42 V CB 1.560 32.893 31.823 -0.816 0.000 1.009 42 V HN 1.066 nan 8.190 nan 0.000 0.426 43 A N 5.134 127.550 122.820 -0.674 0.000 2.483 43 A HA 1.005 5.325 4.320 -0.000 0.000 0.286 43 A C -1.599 175.523 177.584 -0.769 0.000 1.207 43 A CA -0.639 51.029 52.037 -0.614 0.000 0.764 43 A CB 1.675 20.537 19.000 -0.230 0.000 1.341 43 A HN 0.786 nan 8.150 nan 0.000 0.428 44 F N -0.728 119.267 119.950 0.075 0.000 2.576 44 F HA 0.733 5.260 4.527 -0.000 0.000 0.313 44 F C -0.231 175.672 175.800 0.172 0.000 1.078 44 F CA -0.440 57.649 58.000 0.150 0.000 0.921 44 F CB 2.063 41.203 39.000 0.234 0.000 1.232 44 F HN 0.307 nan 8.300 nan 0.000 0.459 45 I N 2.642 123.430 120.570 0.364 0.000 2.582 45 I HA 0.386 4.556 4.170 -0.000 0.000 0.292 45 I C -2.634 173.635 176.117 0.254 0.000 1.066 45 I CA -2.500 58.914 61.300 0.190 0.000 1.053 45 I CB 2.737 40.787 38.000 0.083 0.000 1.241 45 I HN 0.238 nan 8.210 nan 0.000 0.421 46 P HA -0.000 nan 4.420 nan 0.000 0.265 46 P C 0.380 177.735 177.300 0.092 0.000 1.193 46 P CA 0.165 63.390 63.100 0.207 0.000 0.765 46 P CB 0.849 32.645 31.700 0.159 0.000 0.823 47 A N 4.410 127.304 122.820 0.124 0.000 1.948 47 A HA -0.243 4.077 4.320 -0.000 0.000 0.220 47 A C 1.581 179.101 177.584 -0.107 0.000 1.177 47 A CA 2.255 54.282 52.037 -0.017 0.000 0.636 47 A CB -1.248 17.875 19.000 0.206 0.000 0.815 47 A HN 0.632 nan 8.150 nan 0.000 0.449 48 D N -0.639 119.751 120.400 -0.016 0.000 2.371 48 D HA -0.109 4.531 4.640 -0.000 0.000 0.221 48 D C 1.417 177.688 176.300 -0.050 0.000 0.986 48 D CA 0.936 54.919 54.000 -0.029 0.000 0.899 48 D CB -0.504 40.297 40.800 0.002 0.000 0.902 48 D HN 0.654 nan 8.370 nan 0.000 0.530 49 Q N -0.059 119.705 119.800 -0.061 0.000 2.282 49 Q HA 0.168 4.508 4.340 -0.000 0.000 0.206 49 Q C 1.774 177.719 176.000 -0.092 0.000 0.878 49 Q CA -0.149 55.617 55.803 -0.062 0.000 0.944 49 Q CB 0.954 29.665 28.738 -0.045 0.000 1.100 49 Q HN 0.136 nan 8.270 nan 0.000 0.509 50 V N 1.877 121.690 119.914 -0.169 0.000 2.332 50 V HA -0.209 3.911 4.120 -0.000 0.000 0.248 50 V C -0.770 175.263 176.094 -0.102 0.000 1.055 50 V CA 2.062 64.235 62.300 -0.211 0.000 1.038 50 V CB -1.216 30.292 31.823 -0.524 0.000 0.651 50 V HN 0.258 nan 8.190 nan 0.000 0.450 51 P HA -0.169 nan 4.420 nan 0.000 0.217 51 P C 1.733 179.038 177.300 0.007 0.000 1.150 51 P CA 1.436 64.523 63.100 -0.022 0.000 0.832 51 P CB -0.084 31.601 31.700 -0.024 0.000 0.787 52 R N 0.008 120.503 120.500 -0.009 0.000 2.092 52 R HA -0.055 4.284 4.340 -0.000 0.000 0.231 52 R C 2.059 178.374 176.300 0.026 0.000 1.119 52 R CA 1.581 57.692 56.100 0.018 0.000 0.970 52 R CB -0.895 29.400 30.300 -0.008 0.000 0.864 52 R HN 0.036 nan 8.270 nan 0.000 0.440 53 A N 0.845 123.651 122.820 -0.023 0.000 1.933 53 A HA -0.161 4.158 4.320 -0.000 0.000 0.218 53 A C 2.041 179.591 177.584 -0.057 0.000 1.175 53 A CA 1.214 53.215 52.037 -0.059 0.000 0.628 53 A CB -0.397 18.563 19.000 -0.066 0.000 0.814 53 A HN 0.421 nan 8.150 nan 0.000 0.444 54 Q N -0.970 118.838 119.800 0.013 0.000 2.124 54 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 54 Q C 1.951 177.972 176.000 0.034 0.000 0.977 54 Q CA 1.962 57.803 55.803 0.063 0.000 0.850 54 Q CB -0.525 28.266 28.738 0.087 0.000 0.901 54 Q HN 0.983 nan 8.270 nan 0.000 0.429 55 H N 0.819 119.873 119.070 -0.027 0.000 2.353 55 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 55 H C 1.932 177.222 175.328 -0.063 0.000 1.090 55 H CA 1.555 57.583 56.048 -0.033 0.000 1.327 55 H CB -0.246 29.495 29.762 -0.034 0.000 1.383 55 H HN 0.123 nan 8.280 nan 0.000 0.508 56 I N 0.063 120.477 120.570 -0.259 0.000 2.286 56 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 56 I C 1.409 177.294 176.117 -0.386 0.000 1.115 56 I CA 1.114 62.213 61.300 -0.335 0.000 1.392 56 I CB -0.031 37.865 38.000 -0.174 0.000 1.065 56 I HN 0.275 nan 8.210 nan 0.000 0.418 57 L N 0.128 121.119 121.223 -0.387 0.000 2.741 57 L HA 0.094 4.434 4.340 -0.000 0.000 0.237 57 L C 2.021 178.781 176.870 -0.184 0.000 1.178 57 L CA 0.003 54.544 54.840 -0.499 0.000 0.973 57 L CB -0.179 41.293 42.059 -0.979 0.000 1.255 57 L HN 0.261 nan 8.230 nan 0.000 0.498 58 Q N 1.030 120.743 119.800 -0.145 0.000 2.181 58 Q HA -0.160 4.180 4.340 -0.000 0.000 0.205 58 Q C 1.849 177.848 176.000 -0.002 0.000 0.980 58 Q CA 1.730 57.515 55.803 -0.029 0.000 0.862 58 Q CB 0.042 28.741 28.738 -0.065 0.000 0.905 58 Q HN 0.540 nan 8.270 nan 0.000 0.429 59 G N -0.485 108.283 108.800 -0.053 0.000 3.189 59 G HA2 0.039 3.999 3.960 -0.000 0.000 0.225 59 G HA3 0.039 3.999 3.960 -0.000 0.000 0.225 59 G C -0.129 174.783 174.900 0.019 0.000 1.159 59 G CA -0.256 44.835 45.100 -0.016 0.000 0.763 59 G HN 0.107 nan 8.290 nan 0.000 0.549 60 E N 0.244 120.468 120.200 0.040 0.000 2.227 60 E HA 0.470 4.820 4.350 -0.000 0.000 0.268 60 E C -0.206 176.563 176.600 0.282 0.000 0.990 60 E CA -0.247 56.218 56.400 0.108 0.000 0.856 60 E CB 1.507 31.120 29.700 -0.144 0.000 1.159 60 E HN 0.256 nan 8.360 nan 0.000 0.401 61 Q N -1.034 118.945 119.800 0.299 0.000 2.572 61 Q HA 0.562 4.902 4.340 -0.000 0.000 0.284 61 Q C 0.114 176.323 176.000 0.348 0.000 1.091 61 Q CA -0.736 55.214 55.803 0.244 0.000 0.840 61 Q CB 1.815 30.632 28.738 0.133 0.000 1.433 61 Q HN 0.758 nan 8.270 nan 0.000 0.471 62 G N 0.778 109.687 108.800 0.182 0.000 2.176 62 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.252 62 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.252 62 G C -0.467 174.609 174.900 0.292 0.000 1.024 62 G CA 0.903 46.113 45.100 0.184 0.000 0.755 62 G HN 0.475 nan 8.290 nan 0.000 0.507 63 F N -1.486 118.553 119.950 0.148 0.000 2.626 63 F HA 0.916 5.443 4.527 -0.000 0.000 0.311 63 F C -0.430 175.449 175.800 0.132 0.000 1.088 63 F CA -1.609 56.493 58.000 0.170 0.000 0.949 63 F CB 1.205 40.360 39.000 0.258 0.000 1.322 63 F HN 0.357 nan 8.300 nan 0.000 0.461 64 R N 2.164 122.766 120.500 0.170 0.000 2.771 64 R HA 0.814 5.153 4.340 -0.000 0.000 0.274 64 R C -2.329 174.184 176.300 0.354 0.000 0.987 64 R CA -1.108 55.023 56.100 0.052 0.000 0.908 64 R CB 2.294 32.600 30.300 0.011 0.000 1.213 64 R HN 0.904 nan 8.270 nan 0.000 0.468 65 L N 1.782 123.192 121.223 0.312 0.000 2.342 65 L HA 0.453 4.793 4.340 -0.000 0.000 0.276 65 L C -0.977 176.126 176.870 0.388 0.000 0.997 65 L CA -0.388 54.705 54.840 0.422 0.000 0.838 65 L CB 2.406 44.724 42.059 0.431 0.000 1.224 65 L HN 0.793 nan 8.230 nan 0.000 0.416 66 T N 3.786 118.534 114.554 0.323 0.000 2.861 66 T HA 0.461 4.811 4.350 -0.000 0.000 0.287 66 T C -2.695 171.805 174.700 -0.332 0.000 1.003 66 T CA -1.409 60.716 62.100 0.041 0.000 0.977 66 T CB 2.076 71.003 68.868 0.098 0.000 0.996 66 T HN 0.242 nan 8.240 nan 0.000 0.448 67 P HA 0.413 nan 4.420 nan 0.000 0.275 67 P C -1.007 176.117 177.300 -0.294 0.000 1.227 67 P CA -0.368 62.147 63.100 -0.976 0.000 0.781 67 P CB 0.788 32.012 31.700 -0.795 0.000 0.906 68 L N 1.208 122.348 121.223 -0.138 0.000 2.371 68 L HA 0.578 4.918 4.340 -0.000 0.000 0.262 68 L C 0.642 177.493 176.870 -0.032 0.000 1.006 68 L CA -1.335 53.495 54.840 -0.017 0.000 0.818 68 L CB 2.067 44.181 42.059 0.093 0.000 1.354 68 L HN 0.227 nan 8.230 nan 0.000 0.415 69 A N 3.419 126.216 122.820 -0.038 0.000 3.029 69 A HA 0.567 4.887 4.320 -0.000 0.000 0.251 69 A C -0.330 177.193 177.584 -0.101 0.000 1.749 69 A CA 0.229 52.230 52.037 -0.061 0.000 1.386 69 A CB -0.888 18.079 19.000 -0.056 0.000 1.043 69 A HN 0.500 nan 8.150 nan 0.000 0.638 70 L N -0.443 120.714 121.223 -0.109 0.000 2.424 70 L HA 0.564 4.904 4.340 -0.000 0.000 0.258 70 L C -0.273 176.500 176.870 -0.161 0.000 0.995 70 L CA -0.677 54.050 54.840 -0.189 0.000 0.821 70 L CB 2.665 44.582 42.059 -0.237 0.000 1.383 70 L HN 0.277 nan 8.230 nan 0.000 0.410 71 K N 0.348 120.607 120.400 -0.236 0.000 2.435 71 K HA 0.391 4.711 4.320 -0.000 0.000 0.251 71 K C -1.448 175.151 176.600 -0.001 0.000 0.954 71 K CA -0.914 55.305 56.287 -0.113 0.000 0.820 71 K CB 2.329 34.725 32.500 -0.173 0.000 1.292 71 K HN 0.640 nan 8.250 nan 0.000 0.436 72 D N -0.118 120.330 120.400 0.081 0.000 2.447 72 D HA 0.033 4.673 4.640 -0.000 0.000 0.265 72 D C 0.663 177.163 176.300 0.333 0.000 1.250 72 D CA -0.232 53.799 54.000 0.052 0.000 1.046 72 D CB 0.216 40.934 40.800 -0.138 0.000 1.095 72 D HN 0.267 nan 8.370 nan 0.000 0.555 73 F N -0.936 118.948 119.950 -0.110 0.000 2.641 73 F HA -0.044 4.482 4.527 -0.000 0.000 0.298 73 F C 1.769 177.446 175.800 -0.205 0.000 1.146 73 F CA 0.594 58.488 58.000 -0.178 0.000 1.464 73 F CB -0.466 38.379 39.000 -0.259 0.000 1.101 73 F HN 0.403 nan 8.300 nan 0.000 0.585 74 H N -0.197 119.000 119.070 0.211 0.000 2.526 74 H HA 0.228 4.784 4.556 -0.000 0.000 0.274 74 H C 0.744 176.147 175.328 0.125 0.000 0.999 74 H CA 0.084 56.219 56.048 0.145 0.000 1.157 74 H CB 0.056 29.906 29.762 0.147 0.000 1.407 74 H HN 0.155 nan 8.280 nan 0.000 0.568 75 R N 0.537 121.178 120.500 0.236 0.000 3.875 75 R HA -0.208 4.131 4.340 -0.000 0.000 0.321 75 R C 0.222 176.607 176.300 0.142 0.000 1.196 75 R CA 0.664 56.881 56.100 0.195 0.000 0.868 75 R CB -1.701 28.683 30.300 0.140 0.000 1.333 75 R HN 0.370 nan 8.270 nan 0.000 0.522 76 Q N 1.066 120.972 119.800 0.176 0.000 2.241 76 Q HA 0.413 4.753 4.340 -0.000 0.000 0.254 76 Q C -2.499 173.580 176.000 0.131 0.000 0.917 76 Q CA -2.195 53.696 55.803 0.146 0.000 0.919 76 Q CB 1.344 30.184 28.738 0.170 0.000 1.237 76 Q HN -0.168 nan 8.270 nan 0.000 0.434 77 P HA 0.036 nan 4.420 nan 0.000 0.271 77 P C -1.176 176.242 177.300 0.197 0.000 1.218 77 P CA -0.289 62.880 63.100 0.115 0.000 0.780 77 P CB 0.803 32.572 31.700 0.114 0.000 0.901 78 V N 0.624 120.663 119.914 0.207 0.000 3.019 78 V HA 0.586 4.705 4.120 -0.000 0.000 0.317 78 V C -1.090 175.268 176.094 0.441 0.000 1.094 78 V CA -0.817 61.680 62.300 0.328 0.000 1.000 78 V CB 1.471 33.478 31.823 0.306 0.000 1.060 78 V HN 0.261 nan 8.190 nan 0.000 0.443 79 Y N 0.513 120.943 120.300 0.217 0.000 2.457 79 Y HA 0.801 5.351 4.550 -0.000 0.000 0.333 79 Y C 0.896 176.966 175.900 0.283 0.000 1.119 79 Y CA -0.280 57.953 58.100 0.221 0.000 1.143 79 Y CB 2.012 40.576 38.460 0.173 0.000 1.230 79 Y HN 1.035 nan 8.280 nan 0.000 0.469 80 G N 2.026 111.048 108.800 0.371 0.000 2.332 80 G HA2 0.450 4.410 3.960 -0.000 0.000 0.310 80 G HA3 0.450 4.410 3.960 -0.000 0.000 0.310 80 G C -1.616 173.316 174.900 0.054 0.000 1.123 80 G CA -0.487 44.650 45.100 0.060 0.000 0.873 80 G HN 0.497 nan 8.290 nan 0.000 0.460 81 L N 3.190 124.335 121.223 -0.130 0.000 2.259 81 L HA 0.577 4.916 4.340 -0.000 0.000 0.288 81 L C -1.347 175.440 176.870 -0.139 0.000 1.051 81 L CA -1.160 53.691 54.840 0.019 0.000 0.824 81 L CB -0.101 41.961 42.059 0.004 0.000 1.206 81 L HN 0.446 nan 8.230 nan 0.000 0.429 82 Y N 3.795 124.155 120.300 0.100 0.000 2.341 82 Y HA 0.616 5.165 4.550 -0.000 0.000 0.337 82 Y C 0.157 176.129 175.900 0.121 0.000 1.014 82 Y CA -0.339 57.797 58.100 0.059 0.000 1.111 82 Y CB 1.701 40.189 38.460 0.047 0.000 1.194 82 Y HN 0.529 nan 8.280 nan 0.000 0.462 83 C N 2.433 121.856 119.300 0.203 0.000 2.698 83 C HA 0.368 4.828 4.460 -0.000 0.000 0.309 83 C C 1.297 176.349 174.990 0.104 0.000 1.186 83 C CA -1.171 57.938 59.018 0.151 0.000 1.474 83 C CB 1.962 29.715 27.740 0.021 0.000 2.020 83 C HN 0.909 nan 8.230 nan 0.000 0.474 84 R N 1.000 121.557 120.500 0.096 0.000 2.307 84 R HA 0.313 4.653 4.340 -0.000 0.000 0.199 84 R C 0.424 176.760 176.300 0.061 0.000 1.000 84 R CA 0.531 56.676 56.100 0.075 0.000 1.023 84 R CB 0.106 30.447 30.300 0.070 0.000 0.908 84 R HN 0.801 nan 8.270 nan 0.000 0.473 85 A N -1.322 121.517 122.820 0.031 0.000 2.374 85 A HA 0.253 4.573 4.320 -0.000 0.000 0.305 85 A C -0.129 177.451 177.584 -0.006 0.000 1.053 85 A CA -0.658 51.404 52.037 0.042 0.000 0.726 85 A CB 0.781 19.798 19.000 0.028 0.000 1.229 85 A HN 0.295 nan 8.150 nan 0.000 0.431 86 H N 1.808 120.838 119.070 -0.066 0.000 2.395 86 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 86 H C 1.915 177.173 175.328 -0.117 0.000 1.070 86 H CA 2.004 57.931 56.048 -0.202 0.000 1.356 86 H CB 0.242 29.662 29.762 -0.569 0.000 1.401 86 H HN 0.826 nan 8.280 nan 0.000 0.524 87 R N 0.803 121.341 120.500 0.064 0.000 2.115 87 R HA -0.127 4.213 4.340 -0.000 0.000 0.230 87 R C 2.589 178.796 176.300 -0.154 0.000 1.111 87 R CA 1.586 57.702 56.100 0.025 0.000 0.976 87 R CB -0.059 30.311 30.300 0.116 0.000 0.870 87 R HN 0.472 nan 8.270 nan 0.000 0.445 88 Q N 0.280 119.943 119.800 -0.229 0.000 2.123 88 Q HA -0.169 4.171 4.340 -0.000 0.000 0.199 88 Q C 2.003 177.587 176.000 -0.695 0.000 0.966 88 Q CA 1.284 56.788 55.803 -0.499 0.000 0.845 88 Q CB -0.118 28.347 28.738 -0.456 0.000 0.907 88 Q HN 0.376 nan 8.270 nan 0.000 0.439 89 L N 0.518 121.460 121.223 -0.468 0.000 2.046 89 L HA -0.162 4.178 4.340 -0.000 0.000 0.208 89 L C 2.215 178.887 176.870 -0.329 0.000 1.077 89 L CA 1.657 56.267 54.840 -0.384 0.000 0.747 89 L CB -0.464 41.378 42.059 -0.360 0.000 0.896 89 L HN 0.271 nan 8.230 nan 0.000 0.432 90 M N -0.212 119.171 119.600 -0.362 0.000 2.080 90 M HA -0.181 4.299 4.480 -0.000 0.000 0.260 90 M C 2.114 178.341 176.300 -0.122 0.000 1.068 90 M CA 1.433 56.601 55.300 -0.220 0.000 1.109 90 M CB -1.798 30.707 32.600 -0.159 0.000 1.342 90 M HN 0.357 nan 8.290 nan 0.000 0.405 91 N N -0.006 118.612 118.700 -0.137 0.000 2.084 91 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 91 N C 1.694 177.244 175.510 0.067 0.000 1.030 91 N CA 1.332 54.355 53.050 -0.046 0.000 0.849 91 N CB -0.564 37.887 38.487 -0.059 0.000 1.012 91 N HN 0.349 nan 8.380 nan 0.000 0.423 92 Y N 1.633 121.862 120.300 -0.119 0.000 2.293 92 Y HA -0.052 4.498 4.550 -0.000 0.000 0.291 92 Y C 2.448 178.262 175.900 -0.142 0.000 1.137 92 Y CA 0.261 58.267 58.100 -0.158 0.000 1.202 92 Y CB -0.918 37.408 38.460 -0.223 0.000 0.990 92 Y HN 0.276 nan 8.280 nan 0.000 0.537 93 E N 1.048 121.259 120.200 0.018 0.000 2.038 93 E HA -0.249 4.101 4.350 -0.000 0.000 0.195 93 E C 1.827 178.414 176.600 -0.021 0.000 1.000 93 E CA 1.815 58.198 56.400 -0.028 0.000 0.803 93 E CB 0.015 29.682 29.700 -0.055 0.000 0.750 93 E HN 0.437 nan 8.360 nan 0.000 0.448 94 K N 0.176 120.570 120.400 -0.011 0.000 2.063 94 K HA -0.156 4.163 4.320 -0.000 0.000 0.208 94 K C 2.419 179.014 176.600 -0.008 0.000 1.048 94 K CA 1.686 57.970 56.287 -0.005 0.000 0.928 94 K CB -0.199 32.303 32.500 0.004 0.000 0.713 94 K HN 0.068 nan 8.250 nan 0.000 0.442 95 R N 0.776 121.274 120.500 -0.003 0.000 2.096 95 R HA -0.052 4.288 4.340 -0.000 0.000 0.235 95 R C 2.341 178.614 176.300 -0.044 0.000 1.127 95 R CA 1.104 57.191 56.100 -0.023 0.000 0.968 95 R CB -0.387 29.893 30.300 -0.033 0.000 0.861 95 R HN 0.143 nan 8.270 nan 0.000 0.440 96 L N -0.037 121.154 121.223 -0.054 0.000 2.027 96 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 96 L C 2.556 179.395 176.870 -0.051 0.000 1.074 96 L CA 1.419 56.219 54.840 -0.067 0.000 0.745 96 L CB -0.315 41.697 42.059 -0.078 0.000 0.898 96 L HN 0.119 nan 8.230 nan 0.000 0.433 97 R N -0.101 120.372 120.500 -0.045 0.000 2.091 97 R HA -0.227 4.112 4.340 -0.000 0.000 0.238 97 R C 2.250 178.535 176.300 -0.026 0.000 1.136 97 R CA 1.733 57.810 56.100 -0.038 0.000 0.959 97 R CB -0.295 29.986 30.300 -0.031 0.000 0.856 97 R HN 0.375 nan 8.270 nan 0.000 0.437 98 E N -0.172 120.016 120.200 -0.019 0.000 2.160 98 E HA -0.145 4.205 4.350 -0.000 0.000 0.195 98 E C 1.578 178.171 176.600 -0.012 0.000 0.991 98 E CA 1.339 57.732 56.400 -0.012 0.000 0.810 98 E CB -0.113 29.582 29.700 -0.009 0.000 0.742 98 E HN 0.450 nan 8.360 nan 0.000 0.466 99 G N -0.716 108.074 108.800 -0.017 0.000 2.920 99 G HA2 0.149 4.109 3.960 -0.000 0.000 0.208 99 G HA3 0.149 4.109 3.960 -0.000 0.000 0.208 99 G C 0.972 175.863 174.900 -0.014 0.000 1.159 99 G CA 0.237 45.332 45.100 -0.009 0.000 0.784 99 G HN 0.511 nan 8.290 nan 0.000 0.535 100 G N -1.346 107.440 108.800 -0.022 0.000 2.141 100 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.242 100 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.242 100 G C 0.095 174.971 174.900 -0.039 0.000 0.982 100 G CA 0.074 45.158 45.100 -0.027 0.000 0.662 100 G HN 0.662 nan 8.290 nan 0.000 0.527 101 V N 1.266 121.150 119.914 -0.049 0.000 2.439 101 V HA 0.567 4.687 4.120 -0.000 0.000 0.282 101 V C 0.967 177.003 176.094 -0.097 0.000 1.039 101 V CA -0.098 62.162 62.300 -0.066 0.000 0.913 101 V CB 1.645 33.429 31.823 -0.066 0.000 0.983 101 V HN 0.279 nan 8.190 nan 0.000 0.460 102 T N 4.792 119.267 114.554 -0.131 0.000 2.851 102 T HA 0.431 4.781 4.350 -0.000 0.000 0.298 102 T C -0.224 174.278 174.700 -0.330 0.000 0.977 102 T CA -0.019 61.936 62.100 -0.241 0.000 1.126 102 T CB 0.857 69.555 68.868 -0.284 0.000 0.916 102 T HN 0.410 nan 8.240 nan 0.000 0.529 103 V N 4.620 124.329 119.914 -0.341 0.000 2.588 103 V HA 0.447 4.567 4.120 -0.000 0.000 0.304 103 V C -1.090 174.860 176.094 -0.241 0.000 1.042 103 V CA -1.027 61.126 62.300 -0.245 0.000 0.877 103 V CB 1.311 33.070 31.823 -0.107 0.000 0.996 103 V HN 0.828 nan 8.190 nan 0.000 0.425 104 Y N 1.539 121.925 120.300 0.144 0.000 2.446 104 Y HA 0.451 5.001 4.550 -0.000 0.000 0.338 104 Y C 1.038 177.080 175.900 0.237 0.000 1.055 104 Y CA -0.677 57.535 58.100 0.186 0.000 1.101 104 Y CB 1.516 40.128 38.460 0.253 0.000 1.221 104 Y HN 0.783 nan 8.280 nan 0.000 0.460 105 E N -0.105 120.335 120.200 0.399 0.000 2.971 105 E HA -0.305 4.045 4.350 -0.000 0.000 0.278 105 E C 0.834 177.553 176.600 0.198 0.000 1.009 105 E CA 0.432 57.058 56.400 0.377 0.000 0.862 105 E CB -1.186 28.862 29.700 0.580 0.000 1.436 105 E HN 0.796 nan 8.360 nan 0.000 0.434 106 A N 1.117 124.005 122.820 0.113 0.000 2.168 106 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 106 A C 1.769 179.384 177.584 0.052 0.000 1.152 106 A CA 1.250 53.300 52.037 0.021 0.000 0.716 106 A CB -0.088 18.896 19.000 -0.025 0.000 0.794 106 A HN 0.440 nan 8.150 nan 0.000 0.465 107 D N -0.249 120.210 120.400 0.099 0.000 2.355 107 D HA 0.007 4.647 4.640 -0.000 0.000 0.218 107 D C 0.205 176.563 176.300 0.096 0.000 1.004 107 D CA 0.188 54.247 54.000 0.097 0.000 0.880 107 D CB -0.407 40.447 40.800 0.091 0.000 0.911 107 D HN 0.156 nan 8.370 nan 0.000 0.528 108 V N 1.732 121.714 119.914 0.114 0.000 2.470 108 V HA 0.134 4.254 4.120 -0.000 0.000 0.276 108 V C 0.826 176.934 176.094 0.022 0.000 1.040 108 V CA -0.415 61.929 62.300 0.073 0.000 1.008 108 V CB 0.381 32.291 31.823 0.146 0.000 0.990 108 V HN -0.014 nan 8.190 nan 0.000 0.477 109 R N 5.349 125.802 120.500 -0.079 0.000 2.560 109 R HA 0.248 4.588 4.340 -0.000 0.000 0.270 109 R C -1.591 174.504 176.300 -0.343 0.000 1.074 109 R CA -1.413 54.475 56.100 -0.354 0.000 1.140 109 R CB 0.277 30.418 30.300 -0.265 0.000 1.073 109 R HN 0.388 nan 8.270 nan 0.000 0.527 110 P HA -0.127 nan 4.420 nan 0.000 0.216 110 P C -1.675 175.607 177.300 -0.030 0.000 1.153 110 P CA 1.504 64.424 63.100 -0.301 0.000 0.858 110 P CB -0.416 31.024 31.700 -0.434 0.000 0.789 111 P HA -0.161 nan 4.420 nan 0.000 0.215 111 P C 1.530 179.015 177.300 0.308 0.000 1.157 111 P CA 1.442 64.674 63.100 0.220 0.000 0.859 111 P CB -0.568 31.249 31.700 0.195 0.000 0.786 112 E N 0.320 120.620 120.200 0.166 0.000 2.150 112 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 112 E C 2.188 178.846 176.600 0.096 0.000 0.985 112 E CA 0.662 57.148 56.400 0.144 0.000 0.814 112 E CB -0.634 29.112 29.700 0.077 0.000 0.752 112 E HN 0.028 nan 8.360 nan 0.000 0.466 113 R N 0.273 120.827 120.500 0.090 0.000 2.080 113 R HA -0.254 4.086 4.340 -0.000 0.000 0.236 113 R C 2.284 178.663 176.300 0.132 0.000 1.137 113 R CA 1.859 58.020 56.100 0.102 0.000 0.943 113 R CB -0.735 29.621 30.300 0.094 0.000 0.846 113 R HN 0.360 nan 8.270 nan 0.000 0.431 114 Y N 0.725 121.082 120.300 0.095 0.000 2.145 114 Y HA -0.176 4.374 4.550 -0.000 0.000 0.286 114 Y C 1.788 177.744 175.900 0.093 0.000 1.145 114 Y CA 1.975 60.149 58.100 0.123 0.000 1.148 114 Y CB -0.224 38.364 38.460 0.214 0.000 0.981 114 Y HN 0.065 nan 8.280 nan 0.000 0.507 115 L N -0.688 120.639 121.223 0.173 0.000 1.994 115 L HA -0.281 4.059 4.340 -0.000 0.000 0.208 115 L C 2.696 179.506 176.870 -0.100 0.000 1.071 115 L CA 1.773 56.624 54.840 0.019 0.000 0.745 115 L CB -0.658 41.483 42.059 0.138 0.000 0.892 115 L HN 0.311 nan 8.230 nan 0.000 0.431 116 M N -0.437 119.063 119.600 -0.166 0.000 2.088 116 M HA -0.248 4.231 4.480 -0.000 0.000 0.256 116 M C 2.222 178.305 176.300 -0.361 0.000 1.071 116 M CA 1.741 56.777 55.300 -0.440 0.000 1.097 116 M CB -0.271 32.075 32.600 -0.424 0.000 1.315 116 M HN 0.183 nan 8.290 nan 0.000 0.406 117 E N -0.126 119.936 120.200 -0.230 0.000 2.333 117 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 117 E C 1.394 177.843 176.600 -0.251 0.000 1.007 117 E CA 1.068 57.337 56.400 -0.219 0.000 0.845 117 E CB -0.252 29.404 29.700 -0.074 0.000 0.766 117 E HN 0.526 nan 8.360 nan 0.000 0.507 118 R N -0.827 119.537 120.500 -0.227 0.000 2.468 118 R HA 0.170 4.510 4.340 -0.000 0.000 0.280 118 R C -0.258 176.138 176.300 0.160 0.000 0.963 118 R CA -0.259 55.809 56.100 -0.053 0.000 1.083 118 R CB 0.028 30.222 30.300 -0.177 0.000 1.200 118 R HN -0.031 nan 8.270 nan 0.000 0.541 119 F N -0.300 119.627 119.950 -0.039 0.000 3.057 119 F HA -0.258 4.269 4.527 -0.000 0.000 0.287 119 F C -0.066 175.751 175.800 0.028 0.000 0.834 119 F CA 0.217 58.218 58.000 0.003 0.000 1.147 119 F CB -1.735 37.270 39.000 0.009 0.000 1.245 119 F HN 0.033 nan 8.300 nan 0.000 0.509 120 I N 0.256 120.896 120.570 0.118 0.000 2.396 120 I HA 0.267 4.436 4.170 -0.000 0.000 0.292 120 I C 1.348 177.536 176.117 0.119 0.000 0.999 120 I CA 0.504 61.853 61.300 0.081 0.000 1.310 120 I CB 1.404 39.397 38.000 -0.010 0.000 1.404 120 I HN 0.272 nan 8.210 nan 0.000 0.496 121 T N -0.003 114.559 114.554 0.012 0.000 3.571 121 T HA 0.168 4.518 4.350 -0.000 0.000 0.217 121 T C 1.205 175.771 174.700 -0.223 0.000 0.925 121 T CA 0.350 62.391 62.100 -0.098 0.000 1.376 121 T CB 0.256 69.064 68.868 -0.100 0.000 1.375 121 T HN 0.458 nan 8.240 nan 0.000 0.404 122 S N 1.357 116.852 115.700 -0.342 0.000 3.056 122 S HA 0.387 4.857 4.470 -0.000 0.000 0.255 122 S C -2.489 171.678 174.600 -0.721 0.000 1.079 122 S CA -0.249 57.544 58.200 -0.678 0.000 0.810 122 S CB 0.379 62.882 63.200 -1.161 0.000 0.810 122 S HN 0.448 nan 8.310 nan 0.000 0.477 123 P HA 0.414 nan 4.420 nan 0.000 0.286 123 P C -0.896 176.332 177.300 -0.119 0.000 1.269 123 P CA -0.107 62.884 63.100 -0.182 0.000 0.787 123 P CB 1.416 33.122 31.700 0.010 0.000 0.920 124 V N -0.187 119.651 119.914 -0.128 0.000 3.114 124 V HA 0.632 4.752 4.120 -0.000 0.000 0.308 124 V C -1.448 174.588 176.094 -0.097 0.000 1.168 124 V CA -1.267 60.994 62.300 -0.066 0.000 1.015 124 V CB 1.946 33.730 31.823 -0.064 0.000 1.050 124 V HN 0.375 nan 8.190 nan 0.000 0.433 125 W N 1.094 122.442 121.300 0.080 0.000 2.469 125 W HA 0.775 5.435 4.660 -0.000 0.000 0.320 125 W C -0.296 176.229 176.519 0.011 0.000 1.086 125 W CA -0.660 56.701 57.345 0.026 0.000 1.211 125 W CB 1.907 31.342 29.460 -0.042 0.000 1.298 125 W HN 0.638 nan 8.180 nan 0.000 0.525 126 V N 4.356 124.436 119.914 0.278 0.000 2.588 126 V HA 0.556 4.676 4.120 -0.000 0.000 0.304 126 V C -0.765 175.414 176.094 0.141 0.000 1.042 126 V CA -0.559 61.840 62.300 0.166 0.000 0.877 126 V CB 1.524 33.408 31.823 0.102 0.000 0.996 126 V HN 0.707 nan 8.190 nan 0.000 0.425 127 E N 4.950 125.215 120.200 0.109 0.000 2.416 127 E HA 0.949 5.299 4.350 -0.000 0.000 0.273 127 E C -0.236 176.401 176.600 0.062 0.000 0.935 127 E CA -0.470 55.974 56.400 0.073 0.000 0.784 127 E CB 2.605 32.333 29.700 0.047 0.000 1.301 127 E HN 1.198 nan 8.360 nan 0.000 0.454 128 G N 0.712 109.539 108.800 0.045 0.000 2.368 128 G HA2 0.118 4.078 3.960 -0.000 0.000 0.269 128 G HA3 0.118 4.078 3.960 -0.000 0.000 0.269 128 G C -1.801 173.117 174.900 0.030 0.000 1.291 128 G CA -0.776 44.347 45.100 0.038 0.000 0.903 128 G HN 0.505 nan 8.290 nan 0.000 0.483 129 D N 0.730 121.145 120.400 0.026 0.000 2.198 129 D HA 0.516 5.156 4.640 -0.000 0.000 0.245 129 D C 0.023 176.351 176.300 0.046 0.000 1.079 129 D CA -0.176 53.841 54.000 0.028 0.000 0.854 129 D CB 1.834 42.641 40.800 0.012 0.000 1.148 129 D HN 0.332 nan 8.370 nan 0.000 0.456 130 M N 2.578 122.209 119.600 0.053 0.000 2.162 130 M HA 0.123 4.603 4.480 -0.000 0.000 0.356 130 M C -1.018 175.356 176.300 0.124 0.000 1.303 130 M CA 0.090 55.428 55.300 0.064 0.000 1.116 130 M CB 0.223 32.849 32.600 0.043 0.000 1.632 130 M HN 0.338 nan 8.290 nan 0.000 0.469 131 H N 4.857 123.920 119.070 -0.012 0.000 3.239 131 H HA 0.368 4.924 4.556 -0.000 0.000 0.320 131 H C -0.878 174.443 175.328 -0.012 0.000 1.074 131 H CA -0.351 55.690 56.048 -0.010 0.000 1.553 131 H CB 0.222 29.977 29.762 -0.013 0.000 1.752 131 H HN 0.796 nan 8.280 nan 0.000 0.513 132 N N 4.002 122.517 118.700 -0.308 0.000 2.727 132 N HA -0.164 4.575 4.740 -0.000 0.000 0.251 132 N C 1.161 176.583 175.510 -0.146 0.000 1.040 132 N CA 1.710 54.591 53.050 -0.283 0.000 0.712 132 N CB -1.358 36.845 38.487 -0.472 0.000 0.912 132 N HN 1.230 nan 8.380 nan 0.000 0.545 133 G N -2.276 106.479 108.800 -0.075 0.000 2.189 133 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 133 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 133 G C 0.286 175.154 174.900 -0.053 0.000 0.975 133 G CA 1.046 46.122 45.100 -0.040 0.000 0.644 133 G HN 0.611 nan 8.290 nan 0.000 0.537 134 T N 0.694 115.208 114.554 -0.066 0.000 2.888 134 T HA 0.634 4.984 4.350 -0.000 0.000 0.284 134 T C 0.424 175.108 174.700 -0.026 0.000 1.017 134 T CA -0.456 61.593 62.100 -0.086 0.000 1.022 134 T CB 1.598 70.411 68.868 -0.091 0.000 1.013 134 T HN 0.265 nan 8.240 nan 0.000 0.465 135 I N 3.630 124.176 120.570 -0.040 0.000 2.312 135 I HA 0.350 4.519 4.170 -0.000 0.000 0.291 135 I C 0.455 176.574 176.117 0.004 0.000 1.031 135 I CA -0.695 60.606 61.300 0.002 0.000 1.293 135 I CB 0.798 38.804 38.000 0.010 0.000 1.403 135 I HN 0.341 nan 8.210 nan 0.000 0.484 136 V N 3.551 123.479 119.914 0.024 0.000 2.975 136 V HA 0.542 4.662 4.120 -0.000 0.000 0.318 136 V C 0.517 176.615 176.094 0.007 0.000 1.077 136 V CA -0.785 61.521 62.300 0.010 0.000 1.000 136 V CB 1.582 33.414 31.823 0.014 0.000 1.066 136 V HN 0.881 nan 8.190 nan 0.000 0.452 137 N N -0.079 118.619 118.700 -0.003 0.000 2.721 137 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 137 N C 0.177 175.701 175.510 0.024 0.000 1.072 137 N CA 1.179 54.232 53.050 0.005 0.000 0.710 137 N CB -1.365 37.123 38.487 0.001 0.000 0.993 137 N HN 1.466 nan 8.380 nan 0.000 0.547 138 A N 0.774 123.611 122.820 0.029 0.000 2.304 138 A HA 0.649 4.968 4.320 -0.000 0.000 0.271 138 A C 0.828 178.470 177.584 0.096 0.000 1.091 138 A CA -0.339 51.734 52.037 0.060 0.000 0.812 138 A CB 0.739 19.781 19.000 0.069 0.000 1.056 138 A HN 0.397 nan 8.150 nan 0.000 0.489 139 R N 0.515 121.093 120.500 0.129 0.000 2.621 139 R HA 0.702 5.042 4.340 -0.000 0.000 0.284 139 R C -2.129 174.290 176.300 0.199 0.000 0.998 139 R CA -0.741 55.480 56.100 0.202 0.000 0.895 139 R CB 0.837 31.238 30.300 0.167 0.000 1.195 139 R HN 0.346 nan 8.270 nan 0.000 0.450 140 L N 2.286 123.671 121.223 0.268 0.000 2.333 140 L HA 0.628 4.968 4.340 -0.000 0.000 0.269 140 L C -0.300 176.657 176.870 0.146 0.000 1.010 140 L CA -0.495 54.459 54.840 0.190 0.000 0.818 140 L CB 1.766 43.921 42.059 0.161 0.000 1.306 140 L HN 0.836 nan 8.230 nan 0.000 0.430 141 K N 0.174 120.664 120.400 0.150 0.000 2.536 141 K HA 0.741 5.061 4.320 -0.000 0.000 0.269 141 K C -3.056 173.644 176.600 0.167 0.000 0.965 141 K CA -1.980 54.393 56.287 0.144 0.000 0.860 141 K CB 1.884 34.476 32.500 0.154 0.000 1.423 141 K HN 0.132 nan 8.250 nan 0.000 0.438 142 P HA -0.013 nan 4.420 nan 0.000 0.268 142 P C -1.035 176.389 177.300 0.207 0.000 1.205 142 P CA 0.129 63.315 63.100 0.142 0.000 0.771 142 P CB 0.202 31.984 31.700 0.137 0.000 0.858 143 H N 4.005 123.058 119.070 -0.028 0.000 2.514 143 H HA 0.289 4.844 4.556 -0.000 0.000 0.226 143 H C -2.164 173.138 175.328 -0.042 0.000 1.421 143 H CA -2.505 53.450 56.048 -0.156 0.000 1.394 143 H CB 0.167 29.521 29.762 -0.681 0.000 1.701 143 H HN 0.165 nan 8.280 nan 0.000 0.515 144 P HA -0.177 nan 4.420 nan 0.000 0.217 144 P C 1.038 178.398 177.300 0.101 0.000 1.151 144 P CA 1.813 64.988 63.100 0.125 0.000 0.849 144 P CB 0.345 32.124 31.700 0.131 0.000 0.787 145 D N -2.973 117.502 120.400 0.125 0.000 2.349 145 D HA -0.127 4.512 4.640 -0.000 0.000 0.215 145 D C 0.348 176.626 176.300 -0.036 0.000 1.016 145 D CA -0.243 53.798 54.000 0.069 0.000 0.870 145 D CB -1.121 39.749 40.800 0.116 0.000 0.917 145 D HN 0.165 nan 8.370 nan 0.000 0.524 146 Y N 1.768 121.862 120.300 -0.342 0.000 2.377 146 Y HA 0.367 4.917 4.550 -0.000 0.000 0.330 146 Y C -0.108 175.730 175.900 -0.103 0.000 1.108 146 Y CA -0.428 57.425 58.100 -0.412 0.000 1.308 146 Y CB 0.522 38.444 38.460 -0.896 0.000 1.216 146 Y HN -0.231 nan 8.280 nan 0.000 0.518 147 R N 7.100 127.045 120.500 -0.925 0.000 2.628 147 R HA 0.425 4.764 4.340 -0.000 0.000 0.288 147 R C -2.923 172.751 176.300 -1.043 0.000 0.980 147 R CA -2.105 53.538 56.100 -0.761 0.000 0.891 147 R CB 1.588 31.647 30.300 -0.402 0.000 1.188 147 R HN 0.528 nan 8.270 nan 0.000 0.450 148 P HA 0.412 nan 4.420 nan 0.000 0.282 148 P C -2.556 174.624 177.300 -0.201 0.000 1.259 148 P CA -1.868 61.023 63.100 -0.348 0.000 0.826 148 P CB 0.137 31.792 31.700 -0.075 0.000 1.064 149 P HA 0.334 nan 4.420 nan 0.000 0.271 149 P C -0.712 176.595 177.300 0.012 0.000 1.216 149 P CA 0.280 63.361 63.100 -0.031 0.000 0.771 149 P CB 0.415 32.122 31.700 0.011 0.000 0.864 150 L N 2.541 123.781 121.223 0.028 0.000 2.388 150 L HA 0.512 4.851 4.340 -0.000 0.000 0.264 150 L C 0.124 177.053 176.870 0.097 0.000 0.998 150 L CA -0.916 53.990 54.840 0.109 0.000 0.817 150 L CB 2.412 44.592 42.059 0.201 0.000 1.338 150 L HN 0.190 nan 8.230 nan 0.000 0.414 151 K N 1.174 121.663 120.400 0.147 0.000 2.207 151 K HA 0.558 4.878 4.320 -0.000 0.000 0.255 151 K C -1.502 175.294 176.600 0.326 0.000 0.941 151 K CA -0.573 55.782 56.287 0.113 0.000 0.825 151 K CB 1.885 34.435 32.500 0.083 0.000 1.119 151 K HN 0.230 nan 8.250 nan 0.000 0.430 152 W N 1.244 122.550 121.300 0.009 0.000 2.736 152 W HA 0.615 5.275 4.660 -0.000 0.000 0.355 152 W C -0.720 175.797 176.519 -0.004 0.000 1.102 152 W CA -1.038 56.294 57.345 -0.021 0.000 1.164 152 W CB 1.206 30.613 29.460 -0.088 0.000 1.422 152 W HN 0.159 nan 8.180 nan 0.000 0.572 153 V N 1.968 122.006 119.914 0.207 0.000 2.623 153 V HA 0.521 4.641 4.120 -0.000 0.000 0.304 153 V C -0.807 175.271 176.094 -0.027 0.000 1.054 153 V CA -0.606 61.744 62.300 0.082 0.000 0.882 153 V CB 1.750 33.579 31.823 0.011 0.000 1.002 153 V HN 0.476 nan 8.190 nan 0.000 0.424 154 S N 7.375 123.031 115.700 -0.073 0.000 2.422 154 S HA 0.610 5.080 4.470 -0.000 0.000 0.298 154 S C -0.554 173.966 174.600 -0.134 0.000 1.118 154 S CA -0.490 57.632 58.200 -0.131 0.000 1.083 154 S CB 0.456 63.578 63.200 -0.131 0.000 0.971 154 S HN 0.814 nan 8.310 nan 0.000 0.478 155 I N 3.908 124.424 120.570 -0.090 0.000 2.493 155 I HA 0.671 4.841 4.170 -0.000 0.000 0.298 155 I C -1.285 174.822 176.117 -0.018 0.000 0.998 155 I CA -0.522 60.739 61.300 -0.065 0.000 1.137 155 I CB 1.836 39.838 38.000 0.003 0.000 1.310 155 I HN 0.707 nan 8.210 nan 0.000 0.445 156 D N 6.916 127.305 120.400 -0.018 0.000 2.977 156 D HA 0.430 5.069 4.640 -0.000 0.000 0.220 156 D C -1.241 175.097 176.300 0.063 0.000 1.267 156 D CA -0.477 53.548 54.000 0.040 0.000 0.884 156 D CB 1.589 42.378 40.800 -0.018 0.000 1.667 156 D HN 0.553 nan 8.370 nan 0.000 0.536 157 I N -0.693 119.968 120.570 0.153 0.000 2.863 157 I HA 0.839 5.009 4.170 -0.000 0.000 0.311 157 I C -0.661 175.591 176.117 0.224 0.000 1.026 157 I CA -0.851 60.528 61.300 0.131 0.000 1.077 157 I CB 2.095 40.126 38.000 0.052 0.000 1.262 157 I HN 0.177 nan 8.210 nan 0.000 0.461 158 E N 1.686 121.991 120.200 0.176 0.000 2.222 158 E HA 0.630 4.980 4.350 -0.000 0.000 0.267 158 E C -0.942 175.690 176.600 0.053 0.000 0.884 158 E CA -0.392 56.141 56.400 0.222 0.000 0.764 158 E CB 2.181 32.065 29.700 0.305 0.000 1.169 158 E HN 0.872 nan 8.360 nan 0.000 0.413 159 T N -1.145 113.386 114.554 -0.038 0.000 2.838 159 T HA 0.593 4.943 4.350 -0.000 0.000 0.292 159 T C 0.237 174.598 174.700 -0.565 0.000 1.113 159 T CA -0.669 61.194 62.100 -0.395 0.000 1.008 159 T CB 0.993 69.731 68.868 -0.217 0.000 1.259 159 T HN 0.428 nan 8.240 nan 0.000 0.520 160 T N -0.945 113.171 114.554 -0.729 0.000 2.667 160 T HA 0.280 4.630 4.350 -0.000 0.000 0.305 160 T C 1.250 175.855 174.700 -0.158 0.000 1.022 160 T CA -0.631 61.230 62.100 -0.398 0.000 0.995 160 T CB 0.392 69.104 68.868 -0.261 0.000 1.026 160 T HN 0.751 nan 8.240 nan 0.000 0.527 161 R N -0.618 119.810 120.500 -0.120 0.000 2.189 161 R HA -0.080 4.260 4.340 -0.000 0.000 0.223 161 R C 1.426 177.585 176.300 -0.235 0.000 1.092 161 R CA 0.884 56.884 56.100 -0.167 0.000 0.989 161 R CB -0.281 29.880 30.300 -0.231 0.000 0.876 161 R HN 0.681 nan 8.270 nan 0.000 0.457 162 H N -1.343 117.697 119.070 -0.050 0.000 2.526 162 H HA 0.147 4.703 4.556 -0.000 0.000 0.274 162 H C 1.074 176.346 175.328 -0.094 0.000 0.999 162 H CA 0.821 56.832 56.048 -0.062 0.000 1.157 162 H CB 0.876 30.602 29.762 -0.060 0.000 1.407 162 H HN 0.499 nan 8.280 nan 0.000 0.568 163 G N 1.085 109.867 108.800 -0.030 0.000 2.176 163 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.253 163 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.253 163 G C 0.134 175.016 174.900 -0.029 0.000 0.979 163 G CA -0.102 44.955 45.100 -0.073 0.000 0.641 163 G HN 0.427 nan 8.290 nan 0.000 0.530 164 E N 0.222 120.386 120.200 -0.059 0.000 2.289 164 E HA 0.452 4.802 4.350 -0.000 0.000 0.278 164 E C 0.897 177.405 176.600 -0.154 0.000 1.032 164 E CA -0.577 55.848 56.400 0.041 0.000 0.854 164 E CB 0.862 30.562 29.700 0.000 0.000 1.046 164 E HN 0.348 nan 8.360 nan 0.000 0.409 165 L N 3.507 124.694 121.223 -0.059 0.000 2.514 165 L HA -0.134 4.206 4.340 -0.000 0.000 0.280 165 L C 0.467 177.204 176.870 -0.221 0.000 1.223 165 L CA 0.347 55.048 54.840 -0.232 0.000 0.864 165 L CB 0.093 41.980 42.059 -0.286 0.000 1.118 165 L HN 0.694 nan 8.230 nan 0.000 0.494 166 Y N 1.424 121.632 120.300 -0.153 0.000 2.506 166 Y HA 0.163 4.713 4.550 -0.000 0.000 0.287 166 Y C 0.869 176.781 175.900 0.021 0.000 1.147 166 Y CA -0.904 57.050 58.100 -0.244 0.000 1.241 166 Y CB 0.242 38.527 38.460 -0.292 0.000 1.279 166 Y HN 0.722 nan 8.280 nan 0.000 0.527 167 C N -0.845 118.579 119.300 0.207 0.000 3.321 167 C HA 0.771 5.231 4.460 -0.000 0.000 0.329 167 C C -0.878 174.175 174.990 0.106 0.000 1.394 167 C CA -1.641 57.481 59.018 0.173 0.000 1.291 167 C CB 1.292 29.144 27.740 0.188 0.000 1.606 167 C HN 0.100 nan 8.230 nan 0.000 0.463 168 I N 1.385 122.015 120.570 0.099 0.000 2.534 168 I HA 0.617 4.787 4.170 -0.000 0.000 0.288 168 I C 0.386 176.493 176.117 -0.015 0.000 1.077 168 I CA -0.251 61.083 61.300 0.056 0.000 1.051 168 I CB 2.006 40.060 38.000 0.089 0.000 1.234 168 I HN 1.081 nan 8.210 nan 0.000 0.425 169 G N 6.752 115.501 108.800 -0.085 0.000 2.379 169 G HA2 0.788 4.748 3.960 -0.000 0.000 0.327 169 G HA3 0.788 4.748 3.960 -0.000 0.000 0.327 169 G C -1.035 173.712 174.900 -0.255 0.000 1.145 169 G CA -0.451 44.530 45.100 -0.198 0.000 0.905 169 G HN 0.451 nan 8.290 nan 0.000 0.466 170 L N 1.646 122.642 121.223 -0.378 0.000 2.404 170 L HA 0.485 4.825 4.340 -0.000 0.000 0.272 170 L C -0.373 176.264 176.870 -0.388 0.000 0.980 170 L CA -0.636 53.895 54.840 -0.515 0.000 0.836 170 L CB 2.411 43.840 42.059 -1.051 0.000 1.238 170 L HN 0.509 nan 8.230 nan 0.000 0.408 171 E N 3.153 123.197 120.200 -0.260 0.000 2.191 171 E HA 0.728 5.078 4.350 -0.000 0.000 0.263 171 E C -0.505 176.063 176.600 -0.053 0.000 0.881 171 E CA -0.305 56.008 56.400 -0.144 0.000 0.757 171 E CB 2.196 31.820 29.700 -0.127 0.000 1.147 171 E HN 0.787 nan 8.360 nan 0.000 0.414 172 G N 1.592 110.401 108.800 0.014 0.000 2.359 172 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.314 172 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.314 172 G C -0.176 174.799 174.900 0.126 0.000 1.364 172 G CA -0.346 44.801 45.100 0.078 0.000 0.978 172 G HN 0.770 nan 8.290 nan 0.000 0.615 173 C N -0.460 118.893 119.300 0.089 0.000 4.356 173 C HA 0.158 4.617 4.460 -0.000 0.000 0.296 173 C C 2.278 177.268 174.990 0.001 0.000 1.424 173 C CA 1.911 60.958 59.018 0.048 0.000 2.000 173 C CB -1.689 26.072 27.740 0.035 0.000 1.262 173 C HN 3.058 nan 8.230 nan 0.000 0.789 174 G N -0.514 108.281 108.800 -0.007 0.000 2.143 174 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.249 174 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.249 174 G C -0.313 174.569 174.900 -0.031 0.000 0.981 174 G CA 1.516 46.606 45.100 -0.016 0.000 0.665 174 G HN 1.606 nan 8.290 nan 0.000 0.528 175 Q N -1.618 118.156 119.800 -0.044 0.000 2.615 175 Q HA 0.869 5.209 4.340 -0.000 0.000 0.298 175 Q C -0.490 175.490 176.000 -0.034 0.000 1.023 175 Q CA -1.138 54.633 55.803 -0.053 0.000 0.768 175 Q CB 1.051 29.698 28.738 -0.151 0.000 1.500 175 Q HN 0.303 nan 8.270 nan 0.000 0.441 176 R N 0.353 120.833 120.500 -0.034 0.000 2.512 176 R HA 0.751 5.090 4.340 -0.000 0.000 0.291 176 R C -1.374 174.890 176.300 -0.060 0.000 1.097 176 R CA -0.410 55.648 56.100 -0.069 0.000 0.940 176 R CB 1.731 32.011 30.300 -0.034 0.000 1.198 176 R HN 0.794 nan 8.270 nan 0.000 0.429 177 I N 1.808 122.271 120.570 -0.178 0.000 2.827 177 I HA 0.484 4.654 4.170 -0.000 0.000 0.298 177 I C -1.477 174.425 176.117 -0.360 0.000 1.235 177 I CA -1.072 60.097 61.300 -0.218 0.000 1.021 177 I CB 2.559 40.382 38.000 -0.295 0.000 1.259 177 I HN 0.300 nan 8.210 nan 0.000 0.427 178 V N 6.458 126.190 119.914 -0.303 0.000 2.487 178 V HA 0.414 4.534 4.120 -0.000 0.000 0.298 178 V C -1.291 174.599 176.094 -0.339 0.000 1.028 178 V CA -0.493 61.637 62.300 -0.284 0.000 0.860 178 V CB 1.594 33.332 31.823 -0.142 0.000 0.991 178 V HN 0.467 nan 8.190 nan 0.000 0.427 179 Y N 5.077 125.362 120.300 -0.025 0.000 2.341 179 Y HA 0.704 5.253 4.550 -0.000 0.000 0.340 179 Y C 0.184 176.094 175.900 0.017 0.000 0.997 179 Y CA -0.657 57.444 58.100 0.002 0.000 1.149 179 Y CB 1.669 40.146 38.460 0.028 0.000 1.171 179 Y HN 0.671 nan 8.280 nan 0.000 0.494 180 M N 4.412 124.098 119.600 0.143 0.000 2.464 180 M HA 0.504 4.984 4.480 -0.000 0.000 0.308 180 M C -1.940 174.542 176.300 0.304 0.000 1.127 180 M CA -1.124 54.274 55.300 0.163 0.000 0.913 180 M CB 1.335 33.910 32.600 -0.041 0.000 1.689 180 M HN 0.514 nan 8.290 nan 0.000 0.445 181 L N 5.243 126.712 121.223 0.410 0.000 2.500 181 L HA 0.511 4.851 4.340 -0.000 0.000 0.272 181 L C 0.810 177.973 176.870 0.489 0.000 1.149 181 L CA 0.855 55.957 54.840 0.437 0.000 0.897 181 L CB -0.344 41.996 42.059 0.468 0.000 1.178 181 L HN 0.909 nan 8.230 nan 0.000 0.473 182 G N 5.714 114.734 108.800 0.366 0.000 2.587 182 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.666 182 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.666 182 G C -2.095 172.853 174.900 0.080 0.000 1.239 182 G CA -0.345 44.890 45.100 0.225 0.000 1.353 182 G HN 0.826 nan 8.290 nan 0.000 0.780 183 P HA -0.152 nan 4.420 nan 0.000 0.088 183 P C -0.047 177.057 177.300 -0.326 0.000 0.941 183 P CA 1.400 64.412 63.100 -0.147 0.000 0.994 183 P CB -0.474 31.170 31.700 -0.093 0.000 1.693 184 E N 3.739 123.603 120.200 -0.561 0.000 2.413 184 E HA 0.087 4.437 4.350 -0.000 0.000 0.263 184 E C 0.317 176.665 176.600 -0.421 0.000 1.015 184 E CA -0.033 55.821 56.400 -0.910 0.000 0.916 184 E CB 0.481 29.572 29.700 -1.015 0.000 0.947 184 E HN 0.567 nan 8.360 nan 0.000 0.440 185 N N 1.820 120.350 118.700 -0.284 0.000 3.039 185 N HA 0.511 5.251 4.740 -0.000 0.000 0.257 185 N C 0.160 175.629 175.510 -0.068 0.000 1.497 185 N CA -0.685 52.270 53.050 -0.158 0.000 0.861 185 N CB 1.154 39.542 38.487 -0.165 0.000 1.479 185 N HN 0.695 nan 8.380 nan 0.000 0.547 186 G N 0.572 109.338 108.800 -0.056 0.000 2.569 186 G HA2 -0.210 3.749 3.960 -0.000 0.000 0.259 186 G HA3 -0.210 3.749 3.960 -0.000 0.000 0.259 186 G C -1.210 173.683 174.900 -0.012 0.000 1.263 186 G CA 0.703 45.789 45.100 -0.023 0.000 0.928 186 G HN 1.045 nan 8.290 nan 0.000 0.572 187 D N -0.479 119.923 120.400 0.004 0.000 2.575 187 D HA 0.691 5.331 4.640 -0.000 0.000 0.250 187 D C 0.530 176.832 176.300 0.003 0.000 1.279 187 D CA 0.529 54.529 54.000 0.000 0.000 0.925 187 D CB 0.970 41.765 40.800 -0.009 0.000 1.261 187 D HN 1.103 nan 8.370 nan 0.000 0.567 188 A N 2.700 125.524 122.820 0.007 0.000 2.379 188 A HA 0.168 4.488 4.320 -0.000 0.000 0.236 188 A C 1.689 179.232 177.584 -0.069 0.000 1.272 188 A CA 0.535 52.558 52.037 -0.023 0.000 0.886 188 A CB -0.312 18.703 19.000 0.025 0.000 0.962 188 A HN 0.511 nan 8.150 nan 0.000 0.504 189 S N -0.581 115.089 115.700 -0.050 0.000 2.368 189 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 189 S C 1.726 176.282 174.600 -0.074 0.000 1.029 189 S CA 1.472 59.640 58.200 -0.055 0.000 0.988 189 S CB -0.504 62.675 63.200 -0.034 0.000 0.838 189 S HN 0.478 nan 8.310 nan 0.000 0.462 190 S N 0.717 116.374 115.700 -0.071 0.000 2.660 190 S HA 0.373 4.843 4.470 -0.000 0.000 0.227 190 S C 0.313 174.846 174.600 -0.112 0.000 0.948 190 S CA -0.614 57.545 58.200 -0.069 0.000 0.948 190 S CB -0.842 62.336 63.200 -0.036 0.000 0.779 190 S HN 0.410 nan 8.310 nan 0.000 0.487 191 L N 1.433 122.528 121.223 -0.214 0.000 2.426 191 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 191 L C 1.072 177.730 176.870 -0.352 0.000 1.169 191 L CA -0.188 54.392 54.840 -0.433 0.000 0.836 191 L CB 0.474 42.034 42.059 -0.832 0.000 1.112 191 L HN 0.150 nan 8.230 nan 0.000 0.465 192 D N 0.888 121.134 120.400 -0.256 0.000 2.339 192 D HA 0.120 4.760 4.640 -0.000 0.000 0.217 192 D C -0.423 175.896 176.300 0.032 0.000 1.050 192 D CA 0.289 54.273 54.000 -0.028 0.000 0.856 192 D CB 0.291 41.171 40.800 0.134 0.000 0.922 192 D HN 0.316 nan 8.370 nan 0.000 0.518 193 F N -1.534 118.392 119.950 -0.040 0.000 2.754 193 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 193 F C -0.591 175.171 175.800 -0.063 0.000 1.156 193 F CA -1.647 56.320 58.000 -0.055 0.000 0.950 193 F CB 0.631 39.587 39.000 -0.073 0.000 1.388 193 F HN -0.412 nan 8.300 nan 0.000 0.485 194 E N 1.297 121.590 120.200 0.154 0.000 2.259 194 E HA 0.467 4.817 4.350 -0.000 0.000 0.281 194 E C -1.698 174.953 176.600 0.084 0.000 1.037 194 E CA -0.324 56.096 56.400 0.032 0.000 0.854 194 E CB 1.202 30.918 29.700 0.026 0.000 1.051 194 E HN 0.736 nan 8.360 nan 0.000 0.409 195 L N 4.368 125.556 121.223 -0.058 0.000 2.343 195 L HA 0.474 4.814 4.340 -0.000 0.000 0.278 195 L C -1.180 175.604 176.870 -0.145 0.000 0.996 195 L CA -0.294 54.492 54.840 -0.090 0.000 0.831 195 L CB 1.493 43.461 42.059 -0.153 0.000 1.232 195 L HN 0.672 nan 8.230 nan 0.000 0.413 196 E N 4.049 124.163 120.200 -0.143 0.000 2.176 196 E HA 0.315 4.665 4.350 -0.000 0.000 0.267 196 E C -1.608 175.006 176.600 0.023 0.000 0.893 196 E CA -0.653 55.757 56.400 0.016 0.000 0.761 196 E CB 0.989 30.799 29.700 0.185 0.000 1.133 196 E HN 0.606 nan 8.360 nan 0.000 0.409 197 Y N 2.355 122.742 120.300 0.145 0.000 2.310 197 Y HA 0.327 4.877 4.550 -0.000 0.000 0.326 197 Y C 0.481 176.467 175.900 0.143 0.000 1.151 197 Y CA -0.450 57.733 58.100 0.139 0.000 1.195 197 Y CB 1.484 39.995 38.460 0.086 0.000 1.210 197 Y HN 0.341 nan 8.280 nan 0.000 0.483 198 V N -0.618 119.478 119.914 0.304 0.000 3.113 198 V HA 0.832 4.951 4.120 -0.000 0.000 0.316 198 V C 0.348 176.542 176.094 0.167 0.000 1.125 198 V CA -0.546 61.872 62.300 0.196 0.000 1.026 198 V CB 1.430 33.337 31.823 0.141 0.000 1.080 198 V HN 0.826 nan 8.190 nan 0.000 0.444 199 A N 1.038 123.921 122.820 0.105 0.000 2.081 199 A HA 0.549 4.869 4.320 -0.000 0.000 0.214 199 A C 1.121 178.744 177.584 0.065 0.000 1.158 199 A CA 0.946 53.031 52.037 0.079 0.000 0.724 199 A CB -0.527 18.502 19.000 0.048 0.000 0.826 199 A HN 1.834 nan 8.150 nan 0.000 0.463 200 S N -2.831 112.899 115.700 0.050 0.000 2.588 200 S HA 0.509 4.979 4.470 -0.000 0.000 0.269 200 S C 0.248 174.846 174.600 -0.002 0.000 1.157 200 S CA -0.604 57.602 58.200 0.010 0.000 0.824 200 S CB 0.864 64.029 63.200 -0.058 0.000 1.126 200 S HN 0.222 nan 8.310 nan 0.000 0.464 201 R N 0.520 121.001 120.500 -0.032 0.000 2.081 201 R HA 0.022 4.362 4.340 -0.000 0.000 0.235 201 R C -1.018 175.254 176.300 -0.046 0.000 1.131 201 R CA 1.947 58.057 56.100 0.017 0.000 0.960 201 R CB -1.559 28.840 30.300 0.165 0.000 0.856 201 R HN 0.536 nan 8.270 nan 0.000 0.436 202 P HA -0.177 nan 4.420 nan 0.000 0.216 202 P C 0.783 178.053 177.300 -0.052 0.000 1.150 202 P CA 1.401 64.388 63.100 -0.188 0.000 0.843 202 P CB -0.021 31.473 31.700 -0.343 0.000 0.787 203 Q N -0.940 118.828 119.800 -0.053 0.000 2.224 203 Q HA -0.089 4.251 4.340 -0.000 0.000 0.203 203 Q C 2.166 178.145 176.000 -0.036 0.000 0.970 203 Q CA 0.926 56.712 55.803 -0.028 0.000 0.865 203 Q CB -0.633 28.100 28.738 -0.008 0.000 0.922 203 Q HN 0.313 nan 8.270 nan 0.000 0.445 204 L N -0.012 121.205 121.223 -0.008 0.000 2.012 204 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 204 L C 2.113 178.953 176.870 -0.050 0.000 1.073 204 L CA 0.787 55.614 54.840 -0.022 0.000 0.748 204 L CB -0.436 41.639 42.059 0.026 0.000 0.891 204 L HN 0.247 nan 8.230 nan 0.000 0.431 205 L N -0.264 120.956 121.223 -0.005 0.000 2.046 205 L HA -0.205 4.134 4.340 -0.000 0.000 0.208 205 L C 2.499 179.362 176.870 -0.012 0.000 1.077 205 L CA 1.636 56.479 54.840 0.005 0.000 0.747 205 L CB -0.861 41.237 42.059 0.064 0.000 0.896 205 L HN 0.239 nan 8.230 nan 0.000 0.432 206 E N -0.773 119.416 120.200 -0.019 0.000 2.058 206 E HA -0.234 4.116 4.350 -0.000 0.000 0.194 206 E C 2.156 178.724 176.600 -0.053 0.000 0.997 206 E CA 1.092 57.479 56.400 -0.023 0.000 0.801 206 E CB -0.022 29.664 29.700 -0.023 0.000 0.746 206 E HN 0.285 nan 8.360 nan 0.000 0.450 207 K N 0.580 120.886 120.400 -0.156 0.000 2.057 207 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 207 K C 2.221 178.706 176.600 -0.193 0.000 1.049 207 K CA 0.534 56.618 56.287 -0.339 0.000 0.931 207 K CB -0.529 31.421 32.500 -0.918 0.000 0.714 207 K HN 0.096 nan 8.250 nan 0.000 0.440 208 L N 2.353 123.521 121.223 -0.091 0.000 2.013 208 L HA -0.232 4.108 4.340 -0.000 0.000 0.212 208 L C 1.662 178.718 176.870 0.310 0.000 1.073 208 L CA 1.832 56.767 54.840 0.160 0.000 0.753 208 L CB -0.819 41.285 42.059 0.076 0.000 0.890 208 L HN 0.148 nan 8.230 nan 0.000 0.432 209 N N 0.052 118.837 118.700 0.142 0.000 2.069 209 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 209 N C 1.829 177.465 175.510 0.210 0.000 1.031 209 N CA 1.801 54.938 53.050 0.144 0.000 0.852 209 N CB -0.681 37.840 38.487 0.056 0.000 1.018 209 N HN 0.540 nan 8.380 nan 0.000 0.423 210 A N -0.175 122.741 122.820 0.160 0.000 1.902 210 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 210 A C 2.232 179.948 177.584 0.221 0.000 1.181 210 A CA 1.373 53.494 52.037 0.141 0.000 0.623 210 A CB -1.221 17.831 19.000 0.088 0.000 0.818 210 A HN 0.541 nan 8.150 nan 0.000 0.443 211 W N -0.432 120.990 121.300 0.203 0.000 2.335 211 W HA -0.204 4.455 4.660 -0.000 0.000 0.311 211 W C 1.788 178.458 176.519 0.251 0.000 1.213 211 W CA 2.023 59.566 57.345 0.329 0.000 1.274 211 W CB -0.391 29.306 29.460 0.395 0.000 1.148 211 W HN 0.307 nan 8.180 nan 0.000 0.498 212 F N 0.501 120.754 119.950 0.506 0.000 2.126 212 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 212 F C 2.528 178.363 175.800 0.058 0.000 1.096 212 F CA 2.140 60.330 58.000 0.317 0.000 1.255 212 F CB -1.357 37.792 39.000 0.249 0.000 0.997 212 F HN -0.022 nan 8.300 nan 0.000 0.479 213 A N -0.203 122.722 122.820 0.175 0.000 1.930 213 A HA -0.173 4.146 4.320 -0.000 0.000 0.217 213 A C 2.081 179.589 177.584 -0.127 0.000 1.175 213 A CA 1.888 53.943 52.037 0.029 0.000 0.627 213 A CB -0.631 18.386 19.000 0.028 0.000 0.815 213 A HN 0.334 nan 8.150 nan 0.000 0.443 214 N N -1.572 116.971 118.700 -0.262 0.000 2.207 214 N HA -0.028 4.711 4.740 -0.000 0.000 0.182 214 N C 1.316 176.357 175.510 -0.781 0.000 1.020 214 N CA 1.392 54.116 53.050 -0.543 0.000 0.858 214 N CB -0.373 37.679 38.487 -0.725 0.000 0.991 214 N HN 0.670 nan 8.380 nan 0.000 0.427 215 Y N 0.107 120.057 120.300 -0.583 0.000 2.503 215 Y HA 0.093 4.643 4.550 -0.000 0.000 0.277 215 Y C 0.159 175.792 175.900 -0.445 0.000 1.102 215 Y CA -0.117 57.556 58.100 -0.712 0.000 1.261 215 Y CB 0.302 37.837 38.460 -1.541 0.000 1.096 215 Y HN -0.081 nan 8.280 nan 0.000 0.546 216 D N 0.696 120.947 120.400 -0.249 0.000 2.812 216 D HA -0.131 4.509 4.640 -0.000 0.000 0.237 216 D C -2.745 173.540 176.300 -0.025 0.000 1.162 216 D CA -0.079 53.870 54.000 -0.084 0.000 0.740 216 D CB -0.193 40.572 40.800 -0.058 0.000 1.000 216 D HN 0.146 nan 8.370 nan 0.000 0.416 217 P HA 0.155 nan 4.420 nan 0.000 0.274 217 P C 0.371 177.742 177.300 0.118 0.000 1.231 217 P CA -0.266 62.879 63.100 0.074 0.000 0.790 217 P CB 0.864 32.622 31.700 0.096 0.000 0.951 218 D N 0.194 120.682 120.400 0.147 0.000 2.249 218 D HA 0.035 4.675 4.640 -0.000 0.000 0.205 218 D C 0.345 176.728 176.300 0.138 0.000 0.962 218 D CA 1.205 55.295 54.000 0.150 0.000 0.860 218 D CB 0.429 41.330 40.800 0.167 0.000 0.955 218 D HN 0.135 nan 8.370 nan 0.000 0.505 219 V N 1.650 121.648 119.914 0.140 0.000 2.638 219 V HA 0.347 4.466 4.120 -0.000 0.000 0.306 219 V C -0.243 175.863 176.094 0.020 0.000 1.052 219 V CA -0.720 61.602 62.300 0.036 0.000 0.885 219 V CB 2.690 34.440 31.823 -0.122 0.000 0.999 219 V HN -0.109 nan 8.190 nan 0.000 0.424 220 I N 6.089 126.666 120.570 0.012 0.000 2.330 220 I HA 0.541 4.711 4.170 -0.000 0.000 0.289 220 I C -0.149 175.905 176.117 -0.106 0.000 1.001 220 I CA -0.348 60.968 61.300 0.026 0.000 1.193 220 I CB 1.211 39.282 38.000 0.120 0.000 1.345 220 I HN 0.631 nan 8.210 nan 0.000 0.461 221 I N 2.979 123.418 120.570 -0.218 0.000 2.797 221 I HA 1.061 5.230 4.170 -0.000 0.000 0.307 221 I C -0.028 175.958 176.117 -0.217 0.000 1.033 221 I CA -0.422 60.657 61.300 -0.368 0.000 1.071 221 I CB 2.262 39.662 38.000 -1.000 0.000 1.255 221 I HN 0.603 nan 8.210 nan 0.000 0.445 222 G N 2.351 111.083 108.800 -0.113 0.000 2.430 222 G HA2 0.345 4.305 3.960 -0.000 0.000 0.300 222 G HA3 0.345 4.305 3.960 -0.000 0.000 0.300 222 G C -2.913 172.098 174.900 0.185 0.000 1.330 222 G CA -0.754 44.366 45.100 0.033 0.000 0.813 222 G HN 0.813 nan 8.290 nan 0.000 0.487 223 W N 1.496 122.800 121.300 0.007 0.000 2.362 223 W HA 0.586 5.245 4.660 -0.000 0.000 0.316 223 W C 0.612 177.137 176.519 0.011 0.000 1.024 223 W CA -0.494 56.863 57.345 0.020 0.000 1.270 223 W CB 0.847 30.315 29.460 0.013 0.000 1.273 223 W HN 0.732 nan 8.180 nan 0.000 0.424 224 N N 3.370 121.842 118.700 -0.378 0.000 2.741 224 N HA -0.230 4.510 4.740 -0.000 0.000 0.251 224 N C 0.858 176.358 175.510 -0.018 0.000 1.112 224 N CA 1.233 54.095 53.050 -0.312 0.000 0.750 224 N CB -1.120 37.123 38.487 -0.405 0.000 1.119 224 N HN 0.460 nan 8.380 nan 0.000 0.561 225 V N -0.256 119.675 119.914 0.027 0.000 2.546 225 V HA -0.261 3.859 4.120 -0.000 0.000 0.254 225 V C 2.070 178.227 176.094 0.104 0.000 1.076 225 V CA 2.354 64.711 62.300 0.095 0.000 1.087 225 V CB -0.112 31.747 31.823 0.060 0.000 0.674 225 V HN 0.422 nan 8.190 nan 0.000 0.470 226 V N -2.566 117.391 119.914 0.071 0.000 2.326 226 V HA -0.072 4.048 4.120 -0.000 0.000 0.238 226 V C 2.273 178.491 176.094 0.207 0.000 1.038 226 V CA 1.164 63.533 62.300 0.114 0.000 1.032 226 V CB -1.186 30.665 31.823 0.047 0.000 0.675 226 V HN 0.434 nan 8.190 nan 0.000 0.467 227 Q N -0.549 119.317 119.800 0.110 0.000 2.291 227 Q HA -0.047 4.292 4.340 -0.000 0.000 0.206 227 Q C 1.761 177.852 176.000 0.151 0.000 0.976 227 Q CA 1.946 57.810 55.803 0.102 0.000 0.875 227 Q CB -0.329 28.417 28.738 0.014 0.000 0.927 227 Q HN 0.777 nan 8.270 nan 0.000 0.450 228 F N 0.800 120.763 119.950 0.021 0.000 2.478 228 F HA 0.047 4.574 4.527 -0.000 0.000 0.260 228 F C 1.237 177.064 175.800 0.045 0.000 0.974 228 F CA 0.468 58.483 58.000 0.025 0.000 1.075 228 F CB -0.031 38.989 39.000 0.032 0.000 1.165 228 F HN -0.107 nan 8.300 nan 0.000 0.692 229 D N 1.159 121.716 120.400 0.262 0.000 2.108 229 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 229 D C 2.269 178.589 176.300 0.033 0.000 0.995 229 D CA 2.404 56.470 54.000 0.111 0.000 0.834 229 D CB -0.463 40.459 40.800 0.204 0.000 0.967 229 D HN 0.251 nan 8.370 nan 0.000 0.446 230 L N 0.040 121.339 121.223 0.127 0.000 2.093 230 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 230 L C 2.496 179.566 176.870 0.333 0.000 1.085 230 L CA 0.752 55.714 54.840 0.203 0.000 0.755 230 L CB -0.379 41.790 42.059 0.183 0.000 0.904 230 L HN 0.005 nan 8.230 nan 0.000 0.435 231 R N 0.867 121.507 120.500 0.234 0.000 2.080 231 R HA -0.183 4.157 4.340 -0.000 0.000 0.236 231 R C 2.378 178.553 176.300 -0.208 0.000 1.137 231 R CA 1.746 57.753 56.100 -0.155 0.000 0.943 231 R CB -0.191 29.993 30.300 -0.193 0.000 0.846 231 R HN 0.216 nan 8.270 nan 0.000 0.431 232 M N 0.418 119.902 119.600 -0.194 0.000 2.086 232 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 232 M C 2.410 178.694 176.300 -0.027 0.000 1.067 232 M CA 1.643 56.843 55.300 -0.166 0.000 1.116 232 M CB -0.536 31.872 32.600 -0.320 0.000 1.348 232 M HN 0.205 nan 8.290 nan 0.000 0.407 233 L N 0.184 121.365 121.223 -0.070 0.000 2.043 233 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 233 L C 2.770 179.648 176.870 0.014 0.000 1.075 233 L CA 1.540 56.352 54.840 -0.047 0.000 0.752 233 L CB -0.705 41.330 42.059 -0.040 0.000 0.891 233 L HN 0.347 nan 8.230 nan 0.000 0.432 234 Q N 0.949 120.757 119.800 0.013 0.000 2.084 234 Q HA -0.211 4.128 4.340 -0.000 0.000 0.202 234 Q C 2.068 177.984 176.000 -0.140 0.000 0.978 234 Q CA 1.797 57.586 55.803 -0.023 0.000 0.844 234 Q CB -0.073 28.654 28.738 -0.019 0.000 0.898 234 Q HN 0.508 nan 8.270 nan 0.000 0.426 235 K N -1.730 118.552 120.400 -0.197 0.000 2.209 235 K HA -0.178 4.142 4.320 -0.000 0.000 0.204 235 K C 1.643 178.052 176.600 -0.320 0.000 1.048 235 K CA 1.531 57.655 56.287 -0.271 0.000 0.940 235 K CB -0.398 31.917 32.500 -0.308 0.000 0.729 235 K HN 0.333 nan 8.250 nan 0.000 0.451 236 H N 1.388 120.278 119.070 -0.299 0.000 2.333 236 H HA 0.064 4.620 4.556 -0.000 0.000 0.302 236 H C 2.349 177.464 175.328 -0.355 0.000 1.075 236 H CA 1.864 57.660 56.048 -0.420 0.000 1.348 236 H CB -0.250 29.394 29.762 -0.197 0.000 1.393 236 H HN 0.380 nan 8.280 nan 0.000 0.509 237 A N 0.956 123.762 122.820 -0.022 0.000 1.892 237 A HA -0.257 4.063 4.320 -0.000 0.000 0.218 237 A C 2.085 179.641 177.584 -0.048 0.000 1.188 237 A CA 2.179 54.220 52.037 0.008 0.000 0.631 237 A CB -0.429 18.579 19.000 0.013 0.000 0.822 237 A HN 0.544 nan 8.150 nan 0.000 0.447 238 E N -1.216 118.914 120.200 -0.116 0.000 2.152 238 E HA -0.127 4.222 4.350 -0.000 0.000 0.192 238 E C 2.289 178.795 176.600 -0.156 0.000 0.983 238 E CA 0.783 57.110 56.400 -0.121 0.000 0.818 238 E CB -0.134 29.480 29.700 -0.145 0.000 0.758 238 E HN 0.623 nan 8.360 nan 0.000 0.467 239 R N 0.310 120.638 120.500 -0.286 0.000 2.075 239 R HA -0.138 4.202 4.340 -0.000 0.000 0.232 239 R C 1.155 177.339 176.300 -0.192 0.000 1.126 239 R CA 1.266 57.160 56.100 -0.344 0.000 0.963 239 R CB -0.004 29.921 30.300 -0.625 0.000 0.858 239 R HN 0.195 nan 8.270 nan 0.000 0.435 240 Y N 0.240 120.513 120.300 -0.045 0.000 2.466 240 Y HA 0.288 4.837 4.550 -0.000 0.000 0.272 240 Y C 0.338 176.227 175.900 -0.019 0.000 1.169 240 Y CA -0.196 57.891 58.100 -0.022 0.000 1.285 240 Y CB 0.001 38.463 38.460 0.003 0.000 1.078 240 Y HN 0.044 nan 8.280 nan 0.000 0.523 241 R N -0.074 120.473 120.500 0.078 0.000 3.641 241 R HA -0.182 4.158 4.340 -0.000 0.000 0.286 241 R C -0.944 175.385 176.300 0.048 0.000 1.153 241 R CA 0.360 56.485 56.100 0.041 0.000 0.775 241 R CB -2.204 28.115 30.300 0.032 0.000 1.215 241 R HN 0.276 nan 8.270 nan 0.000 0.474 242 L N 0.136 121.398 121.223 0.065 0.000 2.342 242 L HA 0.568 4.908 4.340 -0.000 0.000 0.271 242 L C -2.080 174.809 176.870 0.031 0.000 1.008 242 L CA -2.418 52.453 54.840 0.052 0.000 0.818 242 L CB 1.860 43.965 42.059 0.076 0.000 1.296 242 L HN -0.233 nan 8.230 nan 0.000 0.427 243 P HA 0.115 nan 4.420 nan 0.000 0.275 243 P C -0.882 176.417 177.300 -0.001 0.000 1.227 243 P CA -0.409 62.693 63.100 0.004 0.000 0.781 243 P CB 0.717 32.416 31.700 -0.001 0.000 0.906 244 L N 4.368 125.584 121.223 -0.012 0.000 2.314 244 L HA 0.279 4.619 4.340 -0.000 0.000 0.275 244 L C 0.204 177.029 176.870 -0.076 0.000 1.068 244 L CA -0.047 54.771 54.840 -0.036 0.000 0.894 244 L CB -0.353 41.694 42.059 -0.019 0.000 1.275 244 L HN 0.200 nan 8.230 nan 0.000 0.432 245 R N 5.710 126.164 120.500 -0.077 0.000 3.701 245 R HA 0.219 4.559 4.340 -0.000 0.000 0.210 245 R C 0.450 176.658 176.300 -0.154 0.000 1.598 245 R CA -0.116 55.935 56.100 -0.081 0.000 1.427 245 R CB 0.058 30.341 30.300 -0.029 0.000 1.339 245 R HN 0.707 nan 8.270 nan 0.000 0.720 246 L N -0.131 120.942 121.223 -0.250 0.000 2.567 246 L HA 0.166 4.506 4.340 -0.000 0.000 0.225 246 L C 1.251 177.996 176.870 -0.209 0.000 1.119 246 L CA -0.030 54.541 54.840 -0.447 0.000 0.871 246 L CB 0.126 41.852 42.059 -0.554 0.000 1.036 246 L HN 0.397 nan 8.230 nan 0.000 0.459 247 G N -0.100 108.608 108.800 -0.153 0.000 2.461 247 G HA2 0.492 4.451 3.960 -0.000 0.000 0.329 247 G HA3 0.492 4.451 3.960 -0.000 0.000 0.329 247 G C -0.203 174.578 174.900 -0.199 0.000 1.170 247 G CA -0.621 44.378 45.100 -0.169 0.000 0.935 247 G HN 0.009 nan 8.290 nan 0.000 0.492 248 R N -0.219 120.041 120.500 -0.400 0.000 2.738 248 R HA 0.271 4.610 4.340 -0.000 0.000 0.275 248 R C 0.519 176.590 176.300 -0.381 0.000 1.121 248 R CA 0.138 55.930 56.100 -0.513 0.000 1.207 248 R CB 0.249 29.926 30.300 -1.039 0.000 1.141 248 R HN 0.779 nan 8.270 nan 0.000 0.571 249 D N -0.355 119.955 120.400 -0.150 0.000 3.307 249 D HA -0.281 4.359 4.640 -0.000 0.000 0.197 249 D C 0.662 176.969 176.300 0.012 0.000 1.363 249 D CA 1.504 55.556 54.000 0.087 0.000 1.100 249 D CB -0.729 40.220 40.800 0.248 0.000 0.616 249 D HN 0.581 nan 8.370 nan 0.000 0.719 250 N N 0.285 119.001 118.700 0.027 0.000 2.014 250 N HA -0.128 4.612 4.740 -0.000 0.000 0.194 250 N C -0.278 175.211 175.510 -0.034 0.000 1.083 250 N CA 3.036 56.087 53.050 0.002 0.000 0.870 250 N CB -0.980 37.511 38.487 0.008 0.000 1.061 250 N HN 1.041 nan 8.380 nan 0.000 0.427 251 S N 0.439 116.110 115.700 -0.048 0.000 4.483 251 S HA -0.213 4.257 4.470 -0.000 0.000 0.553 251 S C -0.318 174.233 174.600 -0.081 0.000 0.944 251 S CA 0.467 58.618 58.200 -0.081 0.000 1.234 251 S CB -1.427 61.692 63.200 -0.135 0.000 2.206 251 S HN 0.379 nan 8.310 nan 0.000 0.355 252 E N 1.902 122.063 120.200 -0.064 0.000 2.349 252 E HA 0.530 4.880 4.350 -0.000 0.000 0.262 252 E C 0.556 177.108 176.600 -0.080 0.000 1.088 252 E CA -0.945 55.419 56.400 -0.061 0.000 0.899 252 E CB 0.569 30.249 29.700 -0.032 0.000 1.044 252 E HN 0.609 nan 8.360 nan 0.000 0.420 253 L N 1.918 123.088 121.223 -0.088 0.000 2.464 253 L HA 0.065 4.405 4.340 -0.000 0.000 0.264 253 L C -0.248 176.553 176.870 -0.115 0.000 1.199 253 L CA 0.627 55.384 54.840 -0.138 0.000 0.818 253 L CB 0.378 42.345 42.059 -0.154 0.000 1.102 253 L HN 0.456 nan 8.230 nan 0.000 0.473 254 E N 2.211 122.270 120.200 -0.235 0.000 2.336 254 E HA 0.388 4.738 4.350 -0.000 0.000 0.267 254 E C -1.684 174.677 176.600 -0.398 0.000 0.906 254 E CA -0.448 55.855 56.400 -0.161 0.000 0.781 254 E CB 1.556 31.209 29.700 -0.079 0.000 1.261 254 E HN 0.577 nan 8.360 nan 0.000 0.436 255 W N 0.117 121.419 121.300 0.004 0.000 3.107 255 W HA 0.552 5.212 4.660 -0.000 0.000 0.331 255 W C -0.221 176.358 176.519 0.099 0.000 1.204 255 W CA -0.561 56.809 57.345 0.041 0.000 1.184 255 W CB 2.110 31.532 29.460 -0.064 0.000 1.421 255 W HN 0.275 nan 8.180 nan 0.000 0.544 256 R N 1.146 121.943 120.500 0.495 0.000 2.634 256 R HA 0.233 4.573 4.340 -0.000 0.000 0.263 256 R C -1.226 175.276 176.300 0.337 0.000 1.060 256 R CA -1.026 55.266 56.100 0.321 0.000 0.898 256 R CB 2.598 32.964 30.300 0.110 0.000 1.253 256 R HN 0.580 nan 8.270 nan 0.000 0.461 257 E N 2.040 122.283 120.200 0.071 0.000 2.222 257 E HA 0.410 4.760 4.350 -0.000 0.000 0.267 257 E C -0.951 175.472 176.600 -0.294 0.000 0.963 257 E CA -0.594 55.726 56.400 -0.132 0.000 0.837 257 E CB 1.155 30.569 29.700 -0.478 0.000 1.183 257 E HN 0.488 nan 8.360 nan 0.000 0.403 258 H N 0.361 119.565 119.070 0.224 0.000 2.980 258 H HA 0.599 5.155 4.556 -0.000 0.000 0.367 258 H C -0.512 174.900 175.328 0.140 0.000 1.206 258 H CA 0.043 56.173 56.048 0.138 0.000 1.126 258 H CB 2.004 31.746 29.762 -0.032 0.000 1.838 258 H HN 0.858 nan 8.280 nan 0.000 0.552 259 G N 0.685 109.633 108.800 0.247 0.000 3.014 259 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.683 259 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.683 259 G C -0.802 174.203 174.900 0.175 0.000 1.271 259 G CA -0.331 44.879 45.100 0.182 0.000 0.843 259 G HN 0.392 nan 8.290 nan 0.000 0.612 260 F N 2.168 122.134 119.950 0.027 0.000 2.061 260 F HA 0.299 4.826 4.527 -0.000 0.000 0.283 260 F C 2.609 178.411 175.800 0.003 0.000 1.218 260 F CA 1.760 59.769 58.000 0.015 0.000 1.123 260 F CB -0.121 38.885 39.000 0.011 0.000 1.004 260 F HN 0.481 nan 8.300 nan 0.000 0.493 261 K N 0.615 121.119 120.400 0.174 0.000 2.113 261 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 261 K C -0.604 175.989 176.600 -0.011 0.000 1.047 261 K CA 1.285 57.592 56.287 0.033 0.000 0.928 261 K CB -0.889 31.683 32.500 0.119 0.000 0.716 261 K HN 0.458 nan 8.250 nan 0.000 0.446 262 N N -0.636 118.077 118.700 0.022 0.000 2.504 262 N HA 0.298 5.038 4.740 -0.000 0.000 0.280 262 N C -0.886 174.612 175.510 -0.021 0.000 1.052 262 N CA -0.358 52.687 53.050 -0.009 0.000 0.887 262 N CB 2.005 40.495 38.487 0.005 0.000 1.323 262 N HN 0.021 nan 8.380 nan 0.000 0.509 263 G N 0.741 109.494 108.800 -0.079 0.000 2.343 263 G HA2 0.569 4.529 3.960 -0.000 0.000 0.319 263 G HA3 0.569 4.529 3.960 -0.000 0.000 0.319 263 G C -0.283 174.460 174.900 -0.263 0.000 1.126 263 G CA -0.526 44.493 45.100 -0.136 0.000 0.889 263 G HN 0.431 nan 8.290 nan 0.000 0.457 264 V N 0.032 119.773 119.914 -0.288 0.000 3.040 264 V HA 0.803 4.923 4.120 -0.000 0.000 0.312 264 V C -0.722 175.026 176.094 -0.577 0.000 1.115 264 V CA -1.622 60.427 62.300 -0.418 0.000 0.998 264 V CB 1.537 33.199 31.823 -0.268 0.000 1.042 264 V HN 0.485 nan 8.190 nan 0.000 0.433 265 F N 1.772 121.596 119.950 -0.210 0.000 2.375 265 F HA 0.741 5.267 4.527 -0.000 0.000 0.333 265 F C -0.178 175.486 175.800 -0.227 0.000 1.104 265 F CA -0.146 57.817 58.000 -0.062 0.000 1.149 265 F CB 1.098 40.142 39.000 0.074 0.000 1.190 265 F HN 0.401 nan 8.300 nan 0.000 0.533 266 F N 1.229 121.450 119.950 0.453 0.000 2.529 266 F HA 0.662 5.189 4.527 -0.000 0.000 0.320 266 F C 0.091 175.893 175.800 0.003 0.000 1.118 266 F CA -1.036 57.089 58.000 0.208 0.000 0.915 266 F CB 1.373 40.444 39.000 0.118 0.000 1.161 266 F HN 0.513 nan 8.300 nan 0.000 0.445 267 A N 2.962 125.649 122.820 -0.223 0.000 2.295 267 A HA 0.837 5.157 4.320 -0.000 0.000 0.318 267 A C -0.766 176.611 177.584 -0.345 0.000 1.134 267 A CA -0.557 51.013 52.037 -0.778 0.000 0.827 267 A CB 1.079 19.302 19.000 -1.294 0.000 1.136 267 A HN 0.670 nan 8.150 nan 0.000 0.493 268 Q N -0.338 119.248 119.800 -0.357 0.000 2.315 268 Q HA 0.607 4.946 4.340 -0.000 0.000 0.273 268 Q C -1.254 174.644 176.000 -0.170 0.000 1.053 268 Q CA -0.518 55.186 55.803 -0.165 0.000 0.817 268 Q CB 2.422 31.126 28.738 -0.057 0.000 1.326 268 Q HN 0.955 nan 8.270 nan 0.000 0.423 269 A N 2.549 125.309 122.820 -0.101 0.000 2.332 269 A HA 0.425 4.744 4.320 -0.000 0.000 0.300 269 A C -0.370 177.177 177.584 -0.062 0.000 1.153 269 A CA -0.697 51.278 52.037 -0.104 0.000 0.764 269 A CB 0.705 19.640 19.000 -0.108 0.000 1.174 269 A HN 0.533 nan 8.150 nan 0.000 0.467 270 K N 1.293 121.638 120.400 -0.091 0.000 2.473 270 K HA 0.165 4.485 4.320 -0.000 0.000 0.277 270 K C 1.229 177.557 176.600 -0.454 0.000 1.052 270 K CA 1.467 57.649 56.287 -0.175 0.000 1.114 270 K CB 0.116 32.395 32.500 -0.368 0.000 0.869 270 K HN 1.655 nan 8.250 nan 0.000 0.481 271 G N 3.105 111.739 108.800 -0.276 0.000 2.155 271 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.257 271 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.257 271 G C -0.138 174.734 174.900 -0.048 0.000 0.983 271 G CA 0.202 45.157 45.100 -0.243 0.000 0.676 271 G HN 0.616 nan 8.290 nan 0.000 0.528 272 R N -1.107 119.393 120.500 -0.001 0.000 2.771 272 R HA 0.688 5.027 4.340 -0.000 0.000 0.274 272 R C -0.198 176.143 176.300 0.070 0.000 0.987 272 R CA -0.989 55.144 56.100 0.055 0.000 0.908 272 R CB 1.496 31.833 30.300 0.062 0.000 1.213 272 R HN 0.134 nan 8.270 nan 0.000 0.468 273 L N 2.795 124.064 121.223 0.076 0.000 2.343 273 L HA 0.553 4.893 4.340 -0.000 0.000 0.275 273 L C -0.184 176.702 176.870 0.026 0.000 1.056 273 L CA -0.712 54.162 54.840 0.057 0.000 0.804 273 L CB 1.206 43.300 42.059 0.058 0.000 1.203 273 L HN 0.435 nan 8.230 nan 0.000 0.440 274 I N 4.137 124.716 120.570 0.014 0.000 2.382 274 I HA 0.330 4.499 4.170 -0.000 0.000 0.285 274 I C -0.617 175.503 176.117 0.006 0.000 1.007 274 I CA -0.340 60.958 61.300 -0.003 0.000 1.142 274 I CB 1.423 39.406 38.000 -0.028 0.000 1.289 274 I HN 0.308 nan 8.210 nan 0.000 0.453 275 I N 4.582 125.150 120.570 -0.004 0.000 2.382 275 I HA 0.252 4.422 4.170 -0.000 0.000 0.286 275 I C -0.378 175.793 176.117 0.090 0.000 1.002 275 I CA -0.475 60.856 61.300 0.050 0.000 1.135 275 I CB 1.515 39.579 38.000 0.106 0.000 1.288 275 I HN 0.507 nan 8.210 nan 0.000 0.448 276 D N 4.325 124.760 120.400 0.058 0.000 2.295 276 D HA 0.321 4.961 4.640 -0.000 0.000 0.248 276 D C 1.451 177.784 176.300 0.055 0.000 1.154 276 D CA -0.181 53.838 54.000 0.032 0.000 0.857 276 D CB 1.817 42.580 40.800 -0.062 0.000 1.117 276 D HN 0.719 nan 8.370 nan 0.000 0.468 277 G N 4.151 113.065 108.800 0.190 0.000 2.485 277 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.221 277 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.221 277 G C 1.332 176.176 174.900 -0.094 0.000 1.115 277 G CA 0.701 45.858 45.100 0.095 0.000 0.751 277 G HN 0.588 nan 8.290 nan 0.000 0.567 278 I N 1.009 121.472 120.570 -0.178 0.000 2.094 278 I HA -0.095 4.075 4.170 -0.000 0.000 0.234 278 I C 2.569 178.542 176.117 -0.239 0.000 1.063 278 I CA 1.010 62.134 61.300 -0.294 0.000 1.328 278 I CB -1.620 36.017 38.000 -0.605 0.000 1.058 278 I HN 0.268 nan 8.210 nan 0.000 0.400 279 E N 1.207 121.277 120.200 -0.217 0.000 2.068 279 E HA -0.294 4.056 4.350 -0.000 0.000 0.207 279 E C 2.244 178.756 176.600 -0.146 0.000 1.032 279 E CA 1.995 58.304 56.400 -0.153 0.000 0.839 279 E CB -0.283 29.366 29.700 -0.085 0.000 0.758 279 E HN 0.533 nan 8.360 nan 0.000 0.457 280 A N 1.420 124.160 122.820 -0.134 0.000 1.859 280 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 280 A C 2.313 179.774 177.584 -0.205 0.000 1.198 280 A CA 1.557 53.508 52.037 -0.144 0.000 0.629 280 A CB -0.958 17.932 19.000 -0.184 0.000 0.830 280 A HN 0.202 nan 8.150 nan 0.000 0.446 281 L N -0.955 120.113 121.223 -0.258 0.000 2.191 281 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 281 L C 2.460 179.172 176.870 -0.263 0.000 1.103 281 L CA 1.414 56.079 54.840 -0.291 0.000 0.769 281 L CB -0.192 41.704 42.059 -0.272 0.000 0.908 281 L HN 0.379 nan 8.230 nan 0.000 0.438 282 K N -1.058 119.207 120.400 -0.224 0.000 2.305 282 K HA -0.044 4.276 4.320 -0.000 0.000 0.199 282 K C 2.164 178.523 176.600 -0.403 0.000 1.047 282 K CA 1.161 57.314 56.287 -0.223 0.000 0.976 282 K CB 0.146 32.551 32.500 -0.158 0.000 0.765 282 K HN 0.306 nan 8.250 nan 0.000 0.474 283 S N 0.028 115.523 115.700 -0.341 0.000 2.527 283 S HA 0.066 4.536 4.470 -0.000 0.000 0.222 283 S C 1.823 176.199 174.600 -0.374 0.000 0.985 283 S CA 0.512 58.489 58.200 -0.373 0.000 0.921 283 S CB 0.309 63.430 63.200 -0.133 0.000 0.772 283 S HN 0.214 nan 8.310 nan 0.000 0.529 284 A N -0.083 122.518 122.820 -0.365 0.000 2.169 284 A HA 0.644 4.963 4.320 -0.000 0.000 0.210 284 A C 0.386 177.960 177.584 -0.016 0.000 1.168 284 A CA -0.314 51.449 52.037 -0.457 0.000 0.813 284 A CB -0.410 18.158 19.000 -0.719 0.000 0.861 284 A HN 0.596 nan 8.150 nan 0.000 0.481 285 F N -4.450 115.469 119.950 -0.052 0.000 2.183 285 F HA 0.076 4.602 4.527 -0.000 0.000 0.318 285 F C 0.040 175.941 175.800 0.169 0.000 1.015 285 F CA 0.138 58.212 58.000 0.124 0.000 0.912 285 F CB -1.070 38.073 39.000 0.238 0.000 4.135 285 F HN 1.175 nan 8.300 nan 0.000 0.137 286 W N 2.142 123.595 121.300 0.254 0.000 3.078 286 W HA 0.138 4.798 4.660 -0.000 0.000 0.402 286 W C -0.865 175.729 176.519 0.123 0.000 0.990 286 W CA -0.132 57.316 57.345 0.172 0.000 0.459 286 W CB -0.649 28.897 29.460 0.143 0.000 2.859 286 W HN 1.745 nan 8.180 nan 0.000 0.416 287 N N 2.208 121.095 118.700 0.311 0.000 4.227 287 N HA -0.014 4.726 4.740 -0.000 0.000 0.317 287 N C -0.595 175.039 175.510 0.207 0.000 2.222 287 N CA 0.236 53.360 53.050 0.124 0.000 2.762 287 N CB -1.208 37.209 38.487 -0.118 0.000 0.349 287 N HN 1.189 nan 8.380 nan 0.000 0.549 288 F N 1.513 121.540 119.950 0.129 0.000 2.656 288 F HA 0.911 5.438 4.527 -0.000 0.000 0.394 288 F C 1.646 177.504 175.800 0.097 0.000 1.168 288 F CA 0.307 58.377 58.000 0.118 0.000 1.135 288 F CB 0.422 39.492 39.000 0.116 0.000 1.480 288 F HN 0.458 nan 8.300 nan 0.000 0.500 289 S N -0.558 115.350 115.700 0.346 0.000 4.110 289 S HA -0.243 4.227 4.470 -0.000 0.000 0.254 289 S C 0.909 175.577 174.600 0.113 0.000 1.844 289 S CA 1.379 59.685 58.200 0.176 0.000 4.198 289 S CB -2.133 61.062 63.200 -0.010 0.000 0.234 289 S HN 1.361 nan 8.310 nan 0.000 0.455 290 S N 0.545 116.282 115.700 0.062 0.000 4.198 290 S HA 0.568 5.038 4.470 -0.000 0.000 0.202 290 S C 0.585 175.255 174.600 0.117 0.000 1.124 290 S CA 1.013 59.207 58.200 -0.010 0.000 1.050 290 S CB 0.659 63.748 63.200 -0.185 0.000 1.401 290 S HN 1.902 nan 8.310 nan 0.000 0.589 291 F N -0.230 119.798 119.950 0.130 0.000 0.819 291 F HA 0.219 4.746 4.527 -0.000 0.000 0.254 291 F C -0.446 175.653 175.800 0.497 0.000 0.535 291 F CA -0.423 57.699 58.000 0.204 0.000 2.793 291 F CB -1.576 37.479 39.000 0.092 0.000 3.726 291 F HN 0.190 nan 8.300 nan 0.000 0.196 292 S N 3.441 119.246 115.700 0.175 0.000 2.546 292 S HA 0.189 4.659 4.470 -0.000 0.000 0.290 292 S C 1.345 175.896 174.600 -0.082 0.000 1.290 292 S CA 0.110 58.404 58.200 0.156 0.000 1.069 292 S CB 0.772 63.925 63.200 -0.079 0.000 0.846 292 S HN 0.469 nan 8.310 nan 0.000 0.495 293 L N 3.929 124.647 121.223 -0.842 0.000 2.042 293 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 293 L C 2.300 178.892 176.870 -0.463 0.000 1.076 293 L CA 2.173 56.413 54.840 -1.000 0.000 0.749 293 L CB -0.977 40.108 42.059 -1.623 0.000 0.893 293 L HN 0.888 nan 8.230 nan 0.000 0.432 294 E N -1.181 118.796 120.200 -0.371 0.000 2.106 294 E HA -0.191 4.158 4.350 -0.000 0.000 0.192 294 E C 1.840 178.350 176.600 -0.150 0.000 0.984 294 E CA 1.782 58.054 56.400 -0.214 0.000 0.806 294 E CB 0.136 29.742 29.700 -0.157 0.000 0.750 294 E HN 0.429 nan 8.360 nan 0.000 0.458 295 T N 0.124 114.598 114.554 -0.134 0.000 2.777 295 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 295 T C 1.869 176.516 174.700 -0.088 0.000 1.040 295 T CA 1.238 63.282 62.100 -0.094 0.000 1.141 295 T CB -0.093 68.730 68.868 -0.075 0.000 0.868 295 T HN 0.031 nan 8.240 nan 0.000 0.444 296 V N 1.556 121.427 119.914 -0.072 0.000 2.548 296 V HA -0.078 4.042 4.120 -0.000 0.000 0.249 296 V C 2.778 178.826 176.094 -0.076 0.000 1.055 296 V CA 1.350 63.619 62.300 -0.052 0.000 1.065 296 V CB -1.136 30.704 31.823 0.028 0.000 0.681 296 V HN 0.500 nan 8.190 nan 0.000 0.462 297 A N -0.514 122.242 122.820 -0.106 0.000 1.845 297 A HA -0.303 4.017 4.320 -0.000 0.000 0.215 297 A C 2.183 179.726 177.584 -0.068 0.000 1.195 297 A CA 2.096 54.076 52.037 -0.095 0.000 0.616 297 A CB -0.608 18.315 19.000 -0.129 0.000 0.832 297 A HN 0.507 nan 8.150 nan 0.000 0.443 298 Q N -0.474 119.284 119.800 -0.069 0.000 2.226 298 Q HA 0.028 4.368 4.340 -0.000 0.000 0.204 298 Q C 1.096 177.072 176.000 -0.040 0.000 0.975 298 Q CA 1.148 56.921 55.803 -0.050 0.000 0.866 298 Q CB -0.301 28.409 28.738 -0.047 0.000 0.915 298 Q HN 0.758 nan 8.270 nan 0.000 0.440 299 E N -0.210 119.960 120.200 -0.051 0.000 2.319 299 E HA 0.403 4.752 4.350 -0.000 0.000 0.268 299 E C 0.635 177.214 176.600 -0.036 0.000 1.050 299 E CA 0.163 56.537 56.400 -0.043 0.000 0.878 299 E CB 0.322 29.980 29.700 -0.070 0.000 1.066 299 E HN 0.338 nan 8.360 nan 0.000 0.406 300 L N -2.008 119.206 121.223 -0.016 0.000 3.428 300 L HA -0.283 4.057 4.340 -0.000 0.000 0.267 300 L C 0.902 177.774 176.870 0.002 0.000 4.235 300 L CA 1.382 56.217 54.840 -0.007 0.000 1.105 300 L CB -1.739 40.304 42.059 -0.026 0.000 3.396 300 L HN 0.666 nan 8.230 nan 0.000 0.847 315 D N 1.265 121.658 120.400 -0.012 0.000 4.711 315 D HA -0.222 4.418 4.640 -0.000 0.000 0.196 315 D C 1.338 177.627 176.300 -0.018 0.000 1.431 315 D CA 1.853 55.851 54.000 -0.004 0.000 0.967 315 D CB -0.265 40.532 40.800 -0.004 0.000 0.831 315 D HN 0.385 nan 8.370 nan 0.000 0.574 316 E N -0.209 119.957 120.200 -0.056 0.000 2.208 316 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 316 E C 2.418 178.963 176.600 -0.092 0.000 0.988 316 E CA 0.087 56.437 56.400 -0.085 0.000 0.828 316 E CB 0.025 29.643 29.700 -0.138 0.000 0.763 316 E HN 0.459 nan 8.360 nan 0.000 0.478 317 I N 1.162 121.682 120.570 -0.082 0.000 2.233 317 I HA -0.246 3.924 4.170 -0.000 0.000 0.243 317 I C 1.863 178.009 176.117 0.048 0.000 1.093 317 I CA 0.992 62.276 61.300 -0.027 0.000 1.380 317 I CB -0.113 37.910 38.000 0.038 0.000 1.067 317 I HN -0.082 nan 8.210 nan 0.000 0.413 318 D N 0.849 121.306 120.400 0.095 0.000 2.144 318 D HA -0.183 4.456 4.640 -0.000 0.000 0.199 318 D C 2.197 178.528 176.300 0.053 0.000 0.984 318 D CA 1.266 55.334 54.000 0.113 0.000 0.834 318 D CB -0.226 40.660 40.800 0.143 0.000 0.955 318 D HN 0.446 nan 8.370 nan 0.000 0.465 319 R N 0.645 121.160 120.500 0.026 0.000 2.090 319 R HA 0.082 4.421 4.340 -0.000 0.000 0.228 319 R C 2.166 178.459 176.300 -0.011 0.000 1.110 319 R CA 0.732 56.836 56.100 0.008 0.000 0.973 319 R CB -0.263 30.035 30.300 -0.003 0.000 0.869 319 R HN 0.021 nan 8.270 nan 0.000 0.440 320 R N -0.230 120.261 120.500 -0.015 0.000 2.075 320 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 320 R C 2.078 178.366 176.300 -0.020 0.000 1.126 320 R CA 1.722 57.812 56.100 -0.016 0.000 0.963 320 R CB -0.441 29.850 30.300 -0.015 0.000 0.858 320 R HN 0.215 nan 8.270 nan 0.000 0.435 321 F N 1.278 121.096 119.950 -0.220 0.000 2.171 321 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 321 F C 2.174 177.858 175.800 -0.193 0.000 1.090 321 F CA 1.369 59.176 58.000 -0.321 0.000 1.293 321 F CB -0.245 38.232 39.000 -0.871 0.000 1.013 321 F HN -0.010 nan 8.300 nan 0.000 0.486 322 A N -0.540 122.241 122.820 -0.066 0.000 1.969 322 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 322 A C 1.844 179.350 177.584 -0.130 0.000 1.169 322 A CA 2.069 54.058 52.037 -0.081 0.000 0.635 322 A CB -0.421 18.585 19.000 0.011 0.000 0.810 322 A HN 0.596 nan 8.150 nan 0.000 0.445 323 E N -2.795 117.339 120.200 -0.111 0.000 2.633 323 E HA 0.072 4.422 4.350 -0.000 0.000 0.222 323 E C -0.782 175.770 176.600 -0.079 0.000 0.899 323 E CA 0.143 56.489 56.400 -0.090 0.000 1.292 323 E CB 0.789 30.458 29.700 -0.052 0.000 1.257 323 E HN 0.297 nan 8.360 nan 0.000 0.626 324 D N 0.750 121.106 120.400 -0.073 0.000 2.968 324 D HA 0.133 4.773 4.640 -0.000 0.000 0.301 324 D C 0.451 176.750 176.300 -0.002 0.000 1.226 324 D CA 0.014 53.996 54.000 -0.030 0.000 0.746 324 D CB 0.299 41.093 40.800 -0.010 0.000 1.278 324 D HN -0.107 nan 8.370 nan 0.000 0.544 325 K N 0.109 120.501 120.400 -0.013 0.000 2.113 325 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 325 K C -0.986 175.685 176.600 0.119 0.000 1.047 325 K CA 1.172 57.495 56.287 0.061 0.000 0.928 325 K CB -0.536 32.028 32.500 0.106 0.000 0.716 325 K HN 0.282 nan 8.250 nan 0.000 0.446 326 P HA -0.206 nan 4.420 nan 0.000 0.216 326 P C 1.169 178.561 177.300 0.152 0.000 1.153 326 P CA 1.822 64.996 63.100 0.123 0.000 0.858 326 P CB -0.008 31.738 31.700 0.078 0.000 0.789 327 A N -0.829 122.056 122.820 0.108 0.000 1.933 327 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 327 A C 2.116 179.782 177.584 0.138 0.000 1.175 327 A CA 1.437 53.540 52.037 0.109 0.000 0.628 327 A CB -1.634 17.402 19.000 0.061 0.000 0.814 327 A HN 0.163 nan 8.150 nan 0.000 0.444 328 L N -0.158 121.141 121.223 0.127 0.000 2.046 328 L HA -0.030 4.309 4.340 -0.000 0.000 0.208 328 L C 2.607 179.598 176.870 0.201 0.000 1.077 328 L CA 2.228 57.164 54.840 0.160 0.000 0.747 328 L CB -0.928 41.223 42.059 0.154 0.000 0.896 328 L HN 0.323 nan 8.230 nan 0.000 0.432 329 A N -1.426 121.495 122.820 0.168 0.000 1.902 329 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 329 A C 2.238 179.823 177.584 0.003 0.000 1.181 329 A CA 2.301 54.406 52.037 0.114 0.000 0.623 329 A CB -1.235 17.905 19.000 0.234 0.000 0.818 329 A HN 0.537 nan 8.150 nan 0.000 0.443 330 T N -1.481 113.179 114.554 0.176 0.000 2.708 330 T HA -0.186 4.164 4.350 -0.000 0.000 0.266 330 T C 1.805 176.507 174.700 0.004 0.000 1.037 330 T CA 1.656 63.824 62.100 0.113 0.000 1.146 330 T CB -0.495 68.517 68.868 0.240 0.000 0.865 330 T HN 0.620 nan 8.240 nan 0.000 0.435 331 Y N 2.322 122.604 120.300 -0.030 0.000 2.145 331 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 331 Y C 2.386 178.238 175.900 -0.081 0.000 1.145 331 Y CA 1.650 59.722 58.100 -0.045 0.000 1.148 331 Y CB -0.584 37.870 38.460 -0.011 0.000 0.981 331 Y HN 0.248 nan 8.280 nan 0.000 0.507 332 N N -0.207 118.451 118.700 -0.069 0.000 2.069 332 N HA -0.245 4.495 4.740 -0.000 0.000 0.191 332 N C 1.911 177.241 175.510 -0.300 0.000 1.031 332 N CA 1.293 54.242 53.050 -0.169 0.000 0.852 332 N CB -0.277 38.202 38.487 -0.012 0.000 1.018 332 N HN 0.439 nan 8.380 nan 0.000 0.423 333 L N 1.700 122.709 121.223 -0.356 0.000 2.141 333 L HA -0.042 4.298 4.340 -0.000 0.000 0.209 333 L C 2.209 178.882 176.870 -0.328 0.000 1.094 333 L CA 1.426 56.017 54.840 -0.416 0.000 0.763 333 L CB -0.321 41.317 42.059 -0.702 0.000 0.908 333 L HN 0.061 nan 8.230 nan 0.000 0.437 334 K N -0.537 119.671 120.400 -0.319 0.000 2.097 334 K HA -0.173 4.147 4.320 -0.000 0.000 0.206 334 K C 1.648 178.066 176.600 -0.304 0.000 1.049 334 K CA 1.563 57.689 56.287 -0.267 0.000 0.933 334 K CB -0.162 32.201 32.500 -0.229 0.000 0.717 334 K HN 0.349 nan 8.250 nan 0.000 0.442 335 D N 0.300 120.448 120.400 -0.420 0.000 2.178 335 D HA -0.130 4.510 4.640 -0.000 0.000 0.201 335 D C 1.863 178.023 176.300 -0.234 0.000 0.980 335 D CA 0.733 54.511 54.000 -0.370 0.000 0.842 335 D CB -0.212 40.334 40.800 -0.424 0.000 0.948 335 D HN 0.183 nan 8.370 nan 0.000 0.472 336 C N 0.766 119.936 119.300 -0.217 0.000 2.453 336 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 336 C C 2.441 177.353 174.990 -0.129 0.000 1.262 336 C CA 0.407 59.327 59.018 -0.163 0.000 1.718 336 C CB -0.688 26.942 27.740 -0.184 0.000 2.031 336 C HN 0.427 nan 8.230 nan 0.000 0.480 337 E N 0.673 120.794 120.200 -0.131 0.000 2.152 337 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 337 E C 2.065 178.634 176.600 -0.051 0.000 0.983 337 E CA 0.805 57.159 56.400 -0.077 0.000 0.818 337 E CB -0.240 29.412 29.700 -0.079 0.000 0.758 337 E HN 0.644 nan 8.360 nan 0.000 0.467 338 L N 0.742 121.910 121.223 -0.092 0.000 2.046 338 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 338 L C 2.516 179.369 176.870 -0.028 0.000 1.077 338 L CA 0.735 55.527 54.840 -0.080 0.000 0.747 338 L CB -0.391 41.575 42.059 -0.155 0.000 0.896 338 L HN 0.030 nan 8.230 nan 0.000 0.432 339 V N -0.494 119.399 119.914 -0.035 0.000 2.295 339 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 339 V C 2.561 178.714 176.094 0.099 0.000 1.049 339 V CA 2.369 64.701 62.300 0.054 0.000 1.024 339 V CB -0.677 31.157 31.823 0.017 0.000 0.648 339 V HN 0.484 nan 8.190 nan 0.000 0.447 340 T N -0.573 113.988 114.554 0.012 0.000 2.708 340 T HA -0.270 4.080 4.350 -0.000 0.000 0.266 340 T C 1.925 176.744 174.700 0.198 0.000 1.037 340 T CA 1.751 63.899 62.100 0.079 0.000 1.146 340 T CB -0.285 68.640 68.868 0.096 0.000 0.865 340 T HN 0.541 nan 8.240 nan 0.000 0.435 341 Q N 0.103 120.003 119.800 0.166 0.000 2.135 341 Q HA -0.030 4.310 4.340 -0.000 0.000 0.204 341 Q C 2.364 178.478 176.000 0.190 0.000 0.981 341 Q CA 1.176 57.091 55.803 0.188 0.000 0.856 341 Q CB -0.383 28.413 28.738 0.096 0.000 0.902 341 Q HN 0.524 nan 8.270 nan 0.000 0.425 342 I N -0.222 120.449 120.570 0.169 0.000 2.179 342 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 342 I C 1.803 178.014 176.117 0.156 0.000 1.088 342 I CA 1.074 62.454 61.300 0.133 0.000 1.357 342 I CB -0.190 37.880 38.000 0.116 0.000 1.051 342 I HN 0.117 nan 8.210 nan 0.000 0.409 343 F N 0.423 120.374 119.950 0.001 0.000 2.095 343 F HA -0.272 4.255 4.527 -0.000 0.000 0.298 343 F C 2.711 178.572 175.800 0.101 0.000 1.104 343 F CA 1.638 59.624 58.000 -0.024 0.000 1.232 343 F CB -0.816 38.079 39.000 -0.175 0.000 0.987 343 F HN 0.156 nan 8.300 nan 0.000 0.475 344 H N -0.588 118.724 119.070 0.403 0.000 2.389 344 H HA -0.067 4.488 4.556 -0.000 0.000 0.299 344 H C 2.333 177.744 175.328 0.138 0.000 1.081 344 H CA 1.107 57.312 56.048 0.263 0.000 1.345 344 H CB -0.131 29.735 29.762 0.174 0.000 1.393 344 H HN 0.040 nan 8.280 nan 0.000 0.520 345 K N 0.719 121.257 120.400 0.230 0.000 2.103 345 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 345 K C 1.590 178.230 176.600 0.067 0.000 1.052 345 K CA 1.011 57.371 56.287 0.120 0.000 0.945 345 K CB -0.069 32.480 32.500 0.081 0.000 0.722 345 K HN 0.233 nan 8.250 nan 0.000 0.443 346 T N 0.869 115.438 114.554 0.025 0.000 3.081 346 T HA 0.025 4.375 4.350 -0.000 0.000 0.255 346 T C -0.216 174.464 174.700 -0.033 0.000 1.113 346 T CA 0.092 62.151 62.100 -0.068 0.000 1.082 346 T CB 0.000 68.750 68.868 -0.196 0.000 0.939 346 T HN 0.346 nan 8.240 nan 0.000 0.506 347 E N -0.154 120.082 120.200 0.060 0.000 2.440 347 E HA -0.220 4.129 4.350 -0.000 0.000 0.246 347 E C 0.758 177.401 176.600 0.070 0.000 1.165 347 E CA 0.018 56.484 56.400 0.110 0.000 0.726 347 E CB -1.588 28.181 29.700 0.115 0.000 1.271 347 E HN 0.383 nan 8.360 nan 0.000 0.397 348 I N -0.382 120.165 120.570 -0.038 0.000 2.439 348 I HA -0.213 3.957 4.170 -0.000 0.000 0.251 348 I C 1.937 178.070 176.117 0.027 0.000 1.139 348 I CA 1.325 62.565 61.300 -0.100 0.000 1.438 348 I CB 0.054 37.808 38.000 -0.410 0.000 1.085 348 I HN 0.226 nan 8.210 nan 0.000 0.427 349 M N 0.590 120.230 119.600 0.066 0.000 2.077 349 M HA -0.034 4.445 4.480 -0.000 0.000 0.261 349 M C -0.048 176.323 176.300 0.119 0.000 1.070 349 M CA 1.810 57.173 55.300 0.106 0.000 1.125 349 M CB -2.648 30.069 32.600 0.195 0.000 1.339 349 M HN 0.056 nan 8.290 nan 0.000 0.409 350 P HA -0.203 nan 4.420 nan 0.000 0.216 350 P C 1.741 179.118 177.300 0.129 0.000 1.154 350 P CA 1.357 64.526 63.100 0.115 0.000 0.865 350 P CB -0.408 31.375 31.700 0.138 0.000 0.789 351 F N -0.055 119.912 119.950 0.028 0.000 2.134 351 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 351 F C 1.982 177.798 175.800 0.027 0.000 1.097 351 F CA 1.358 59.376 58.000 0.029 0.000 1.264 351 F CB -0.764 38.246 39.000 0.018 0.000 1.001 351 F HN -0.259 nan 8.300 nan 0.000 0.479 352 L N 0.077 121.293 121.223 -0.012 0.000 2.046 352 L HA -0.242 4.097 4.340 -0.000 0.000 0.208 352 L C 2.450 179.255 176.870 -0.108 0.000 1.077 352 L CA 1.267 56.034 54.840 -0.121 0.000 0.747 352 L CB -0.845 41.223 42.059 0.016 0.000 0.896 352 L HN 0.274 nan 8.230 nan 0.000 0.432 353 L N -0.867 120.336 121.223 -0.034 0.000 2.056 353 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 353 L C 2.745 179.651 176.870 0.059 0.000 1.078 353 L CA 0.940 55.799 54.840 0.032 0.000 0.749 353 L CB -0.546 41.439 42.059 -0.122 0.000 0.901 353 L HN 0.234 nan 8.230 nan 0.000 0.433 354 E N 0.175 120.351 120.200 -0.039 0.000 2.072 354 E HA -0.223 4.127 4.350 -0.000 0.000 0.191 354 E C 2.175 178.713 176.600 -0.104 0.000 0.985 354 E CA 0.947 57.327 56.400 -0.033 0.000 0.801 354 E CB -0.234 29.452 29.700 -0.023 0.000 0.750 354 E HN 0.371 nan 8.360 nan 0.000 0.452 355 R N 0.752 121.071 120.500 -0.302 0.000 2.083 355 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 355 R C 2.229 178.434 176.300 -0.158 0.000 1.137 355 R CA 1.605 57.508 56.100 -0.328 0.000 0.951 355 R CB -0.218 29.704 30.300 -0.630 0.000 0.851 355 R HN 0.140 nan 8.270 nan 0.000 0.434 356 A N -0.264 122.494 122.820 -0.103 0.000 1.933 356 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 356 A C 2.145 179.687 177.584 -0.071 0.000 1.175 356 A CA 1.960 53.960 52.037 -0.062 0.000 0.628 356 A CB -0.780 18.235 19.000 0.025 0.000 0.814 356 A HN 0.466 nan 8.150 nan 0.000 0.444 357 T N -0.564 113.991 114.554 0.002 0.000 2.833 357 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 357 T C 1.798 176.491 174.700 -0.012 0.000 1.054 357 T CA 1.643 63.742 62.100 -0.002 0.000 1.135 357 T CB -0.216 68.709 68.868 0.096 0.000 0.869 357 T HN 0.199 nan 8.240 nan 0.000 0.466 358 V N 2.898 122.803 119.914 -0.015 0.000 2.500 358 V HA -0.035 4.085 4.120 -0.000 0.000 0.243 358 V C 2.214 178.305 176.094 -0.005 0.000 1.039 358 V CA 1.490 63.796 62.300 0.011 0.000 1.053 358 V CB -0.444 31.390 31.823 0.019 0.000 0.695 358 V HN 0.600 nan 8.190 nan 0.000 0.463 359 N N 0.642 119.305 118.700 -0.062 0.000 2.299 359 N HA 0.131 4.871 4.740 -0.000 0.000 0.187 359 N C 1.478 176.851 175.510 -0.229 0.000 1.099 359 N CA 0.945 53.947 53.050 -0.081 0.000 0.867 359 N CB 0.359 38.806 38.487 -0.067 0.000 0.974 359 N HN 0.429 nan 8.380 nan 0.000 0.477 360 G N 0.141 108.736 108.800 -0.342 0.000 2.166 360 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.260 360 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.260 360 G C -0.264 174.229 174.900 -0.679 0.000 0.986 360 G CA 0.795 45.441 45.100 -0.757 0.000 0.683 360 G HN 0.379 nan 8.290 nan 0.000 0.527 361 L N -0.305 120.713 121.223 -0.343 0.000 2.387 361 L HA 0.544 4.884 4.340 -0.000 0.000 0.266 361 L C -1.786 174.994 176.870 -0.149 0.000 1.059 361 L CA -2.538 52.169 54.840 -0.223 0.000 0.801 361 L CB 0.697 42.686 42.059 -0.117 0.000 1.223 361 L HN -0.182 nan 8.230 nan 0.000 0.456 362 P HA -0.006 nan 4.420 nan 0.000 0.268 362 P C 0.731 178.042 177.300 0.019 0.000 1.208 362 P CA -0.221 62.855 63.100 -0.040 0.000 0.777 362 P CB 0.728 32.407 31.700 -0.035 0.000 0.875 363 V N 1.211 121.159 119.914 0.057 0.000 2.548 363 V HA -0.176 3.944 4.120 -0.000 0.000 0.249 363 V C 1.892 178.021 176.094 0.059 0.000 1.055 363 V CA 1.681 64.019 62.300 0.064 0.000 1.065 363 V CB -0.939 30.952 31.823 0.114 0.000 0.681 363 V HN 0.659 nan 8.190 nan 0.000 0.462 364 D N 0.504 120.952 120.400 0.081 0.000 2.228 364 D HA -0.203 4.437 4.640 -0.000 0.000 0.203 364 D C 1.865 178.205 176.300 0.066 0.000 0.988 364 D CA 1.800 55.847 54.000 0.079 0.000 0.864 364 D CB 0.305 41.162 40.800 0.095 0.000 0.928 364 D HN 0.620 nan 8.370 nan 0.000 0.469 365 R N -3.246 117.294 120.500 0.067 0.000 2.087 365 R HA -0.021 4.319 4.340 -0.000 0.000 0.037 365 R C 1.292 177.572 176.300 -0.033 0.000 0.654 365 R CA 0.337 56.442 56.100 0.008 0.000 2.197 365 R CB -1.404 28.897 30.300 0.001 0.000 0.826 365 R HN 0.098 nan 8.270 nan 0.000 0.561 366 H N 1.841 120.858 119.070 -0.088 0.000 2.297 366 H HA -0.134 4.422 4.556 -0.000 0.000 0.289 366 H C 1.702 176.968 175.328 -0.102 0.000 1.105 366 H CA 2.964 58.938 56.048 -0.125 0.000 1.219 366 H CB -0.380 29.316 29.762 -0.111 0.000 1.351 366 H HN 0.624 nan 8.280 nan 0.000 0.481 367 G N 0.522 109.349 108.800 0.045 0.000 2.302 367 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.292 367 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.292 367 G C 0.821 175.724 174.900 0.005 0.000 1.005 367 G CA 0.828 45.932 45.100 0.007 0.000 0.708 367 G HN 0.745 nan 8.290 nan 0.000 0.527 368 G N -0.392 108.411 108.800 0.006 0.000 2.361 368 G HA2 0.450 4.410 3.960 -0.000 0.000 0.260 368 G HA3 0.450 4.410 3.960 -0.000 0.000 0.260 368 G C 1.048 175.966 174.900 0.031 0.000 1.261 368 G CA 0.661 45.767 45.100 0.009 0.000 0.897 368 G HN 0.383 nan 8.290 nan 0.000 0.499 369 S N 1.636 117.358 115.700 0.036 0.000 2.383 369 S HA -0.162 4.308 4.470 -0.000 0.000 0.229 369 S C 2.575 177.225 174.600 0.083 0.000 1.030 369 S CA 1.049 59.276 58.200 0.045 0.000 1.002 369 S CB -0.080 63.140 63.200 0.034 0.000 0.829 369 S HN 0.415 nan 8.310 nan 0.000 0.467 370 V N 1.733 121.687 119.914 0.066 0.000 2.358 370 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 370 V C 2.624 178.817 176.094 0.165 0.000 1.047 370 V CA 1.595 63.952 62.300 0.095 0.000 1.035 370 V CB -1.121 30.723 31.823 0.035 0.000 0.658 370 V HN 0.541 nan 8.190 nan 0.000 0.452 371 A N -0.042 122.841 122.820 0.104 0.000 1.930 371 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 371 A C 2.406 180.065 177.584 0.126 0.000 1.175 371 A CA 1.935 54.027 52.037 0.092 0.000 0.627 371 A CB -0.681 18.345 19.000 0.044 0.000 0.815 371 A HN 0.550 nan 8.150 nan 0.000 0.443 372 A N -1.129 121.761 122.820 0.117 0.000 1.902 372 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 372 A C 2.053 179.754 177.584 0.195 0.000 1.181 372 A CA 1.503 53.604 52.037 0.107 0.000 0.623 372 A CB -0.742 18.288 19.000 0.050 0.000 0.818 372 A HN 0.670 nan 8.150 nan 0.000 0.443 373 F N 1.092 121.099 119.950 0.095 0.000 2.126 373 F HA -0.100 4.427 4.527 -0.000 0.000 0.299 373 F C 2.299 178.257 175.800 0.264 0.000 1.096 373 F CA 1.769 59.872 58.000 0.172 0.000 1.255 373 F CB -0.479 38.612 39.000 0.152 0.000 0.997 373 F HN 0.222 nan 8.300 nan 0.000 0.479 374 G N -1.803 107.305 108.800 0.513 0.000 2.408 374 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 374 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 374 G C 1.357 176.334 174.900 0.129 0.000 1.150 374 G CA 1.024 46.400 45.100 0.460 0.000 0.776 374 G HN 0.542 nan 8.290 nan 0.000 0.542 375 H N 0.199 119.260 119.070 -0.015 0.000 2.353 375 H HA 0.097 4.653 4.556 -0.000 0.000 0.300 375 H C 2.503 177.828 175.328 -0.005 0.000 1.090 375 H CA 1.349 57.358 56.048 -0.064 0.000 1.327 375 H CB -0.079 29.650 29.762 -0.054 0.000 1.383 375 H HN 0.265 nan 8.280 nan 0.000 0.508 376 L N -1.034 120.291 121.223 0.170 0.000 2.109 376 L HA -0.163 4.176 4.340 -0.000 0.000 0.207 376 L C 1.997 178.879 176.870 0.020 0.000 1.086 376 L CA 1.067 55.971 54.840 0.105 0.000 0.760 376 L CB -0.427 41.693 42.059 0.103 0.000 0.910 376 L HN 0.353 nan 8.230 nan 0.000 0.437 377 Y N -0.265 119.953 120.300 -0.137 0.000 2.243 377 Y HA -0.179 4.371 4.550 -0.000 0.000 0.293 377 Y C 2.388 178.272 175.900 -0.027 0.000 1.124 377 Y CA 1.070 59.052 58.100 -0.197 0.000 1.159 377 Y CB -0.178 38.021 38.460 -0.436 0.000 1.008 377 Y HN -0.071 nan 8.280 nan 0.000 0.527 378 F N 1.135 121.017 119.950 -0.113 0.000 2.065 378 F HA -0.226 4.301 4.527 -0.000 0.000 0.298 378 F C -0.262 175.273 175.800 -0.441 0.000 1.112 378 F CA 1.745 59.592 58.000 -0.255 0.000 1.212 378 F CB -2.141 36.769 39.000 -0.149 0.000 0.975 378 F HN 0.121 nan 8.300 nan 0.000 0.476 379 P HA -0.141 nan 4.420 nan 0.000 0.219 379 P C 1.423 178.595 177.300 -0.213 0.000 1.150 379 P CA 1.606 64.497 63.100 -0.349 0.000 0.814 379 P CB -0.130 30.961 31.700 -1.015 0.000 0.787 380 R N -0.808 119.573 120.500 -0.199 0.000 2.090 380 R HA 0.051 4.391 4.340 -0.000 0.000 0.228 380 R C 2.630 178.798 176.300 -0.220 0.000 1.110 380 R CA 1.017 57.046 56.100 -0.117 0.000 0.973 380 R CB -0.726 29.468 30.300 -0.175 0.000 0.869 380 R HN 0.213 nan 8.270 nan 0.000 0.440 381 M N 0.075 119.436 119.600 -0.398 0.000 2.086 381 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 381 M C 1.574 177.831 176.300 -0.073 0.000 1.067 381 M CA 1.906 57.039 55.300 -0.278 0.000 1.116 381 M CB -0.165 32.263 32.600 -0.286 0.000 1.348 381 M HN 0.253 nan 8.290 nan 0.000 0.407 382 H N -0.579 118.445 119.070 -0.077 0.000 2.353 382 H HA -0.079 4.477 4.556 -0.000 0.000 0.300 382 H C 2.167 177.462 175.328 -0.054 0.000 1.090 382 H CA 1.497 57.500 56.048 -0.074 0.000 1.327 382 H CB -0.004 29.721 29.762 -0.062 0.000 1.383 382 H HN 0.390 nan 8.280 nan 0.000 0.508 383 R N 0.331 120.884 120.500 0.088 0.000 2.127 383 R HA -0.081 4.259 4.340 -0.000 0.000 0.238 383 R C 2.291 178.602 176.300 0.018 0.000 1.134 383 R CA 0.880 57.014 56.100 0.056 0.000 0.975 383 R CB -0.061 30.292 30.300 0.088 0.000 0.865 383 R HN 0.271 nan 8.270 nan 0.000 0.447 384 A N -0.332 122.500 122.820 0.019 0.000 2.167 384 A HA 0.161 4.481 4.320 -0.000 0.000 0.214 384 A C 1.377 178.954 177.584 -0.012 0.000 1.151 384 A CA 1.000 53.057 52.037 0.033 0.000 0.735 384 A CB 0.074 19.126 19.000 0.087 0.000 0.802 384 A HN 0.461 nan 8.150 nan 0.000 0.467 385 G N -3.020 105.736 108.800 -0.075 0.000 2.154 385 G HA2 -0.191 3.768 3.960 -0.000 0.000 0.186 385 G HA3 -0.191 3.768 3.960 -0.000 0.000 0.186 385 G C -0.228 174.359 174.900 -0.522 0.000 1.000 385 G CA 0.029 44.958 45.100 -0.285 0.000 0.664 385 G HN 0.400 nan 8.290 nan 0.000 0.513 386 Y N -0.606 119.675 120.300 -0.033 0.000 2.524 386 Y HA 0.640 5.190 4.550 -0.000 0.000 0.344 386 Y C 0.620 176.518 175.900 -0.003 0.000 1.012 386 Y CA -0.642 57.455 58.100 -0.005 0.000 1.068 386 Y CB 2.290 40.786 38.460 0.061 0.000 1.249 386 Y HN 0.515 nan 8.280 nan 0.000 0.468 387 V N -0.238 119.701 119.914 0.040 0.000 2.850 387 V HA 0.952 5.072 4.120 -0.000 0.000 0.315 387 V C 0.008 175.985 176.094 -0.195 0.000 1.064 387 V CA -1.269 60.927 62.300 -0.174 0.000 0.979 387 V CB 1.241 32.705 31.823 -0.599 0.000 1.039 387 V HN 0.902 nan 8.190 nan 0.000 0.452 388 A N 3.689 126.321 122.820 -0.314 0.000 2.388 388 A HA 0.738 5.057 4.320 -0.000 0.000 0.257 388 A C -2.149 175.111 177.584 -0.540 0.000 1.095 388 A CA -1.338 50.396 52.037 -0.505 0.000 0.791 388 A CB -0.390 18.281 19.000 -0.548 0.000 1.029 388 A HN 0.852 nan 8.150 nan 0.000 0.489 389 P HA 0.140 nan 4.420 nan 0.000 0.274 389 P C -0.565 176.614 177.300 -0.200 0.000 1.246 389 P CA -0.395 62.431 63.100 -0.457 0.000 0.795 389 P CB 0.467 31.801 31.700 -0.609 0.000 1.006 390 N N -0.398 118.322 118.700 0.033 0.000 2.493 390 N HA 0.266 5.006 4.740 -0.000 0.000 0.275 390 N C -0.121 175.367 175.510 -0.037 0.000 1.186 390 N CA -0.775 52.294 53.050 0.032 0.000 0.978 390 N CB 0.339 38.877 38.487 0.085 0.000 1.184 390 N HN 0.308 nan 8.380 nan 0.000 0.487 391 L N 0.765 121.968 121.223 -0.034 0.000 2.461 391 L HA 0.118 4.458 4.340 -0.000 0.000 0.272 391 L C 1.380 178.240 176.870 -0.017 0.000 1.197 391 L CA 0.333 55.149 54.840 -0.040 0.000 0.836 391 L CB 0.312 42.349 42.059 -0.037 0.000 1.105 391 L HN 0.935 nan 8.230 nan 0.000 0.477 392 G N 2.081 110.868 108.800 -0.022 0.000 2.143 392 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.248 392 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.248 392 G C 0.497 175.407 174.900 0.017 0.000 0.991 392 G CA 0.412 45.499 45.100 -0.021 0.000 0.689 392 G HN 0.793 nan 8.290 nan 0.000 0.522 393 E N -1.257 118.975 120.200 0.054 0.000 2.489 393 E HA 0.310 4.659 4.350 -0.000 0.000 0.204 393 E C 0.335 177.006 176.600 0.119 0.000 1.006 393 E CA 0.156 56.606 56.400 0.083 0.000 0.936 393 E CB 1.116 30.876 29.700 0.100 0.000 1.002 393 E HN 0.314 nan 8.360 nan 0.000 0.488 394 V N 3.443 123.451 119.914 0.156 0.000 2.326 394 V HA 0.269 4.388 4.120 -0.000 0.000 0.281 394 V C -2.385 173.877 176.094 0.281 0.000 1.015 394 V CA -2.056 60.376 62.300 0.219 0.000 0.823 394 V CB 1.005 32.977 31.823 0.248 0.000 1.009 394 V HN -0.004 nan 8.190 nan 0.000 0.436 395 P HA 0.243 nan 4.420 nan 0.000 0.271 395 P C -2.500 175.032 177.300 0.386 0.000 1.218 395 P CA -1.041 62.185 63.100 0.210 0.000 0.780 395 P CB 0.028 31.827 31.700 0.166 0.000 0.901 396 P HA 0.143 nan 4.420 nan 0.000 0.274 396 P C -0.539 177.010 177.300 0.414 0.000 1.237 396 P CA 0.190 63.531 63.100 0.402 0.000 0.793 396 P CB 1.030 32.782 31.700 0.087 0.000 0.977 397 H N -0.669 118.504 119.070 0.171 0.000 2.737 397 H HA 0.323 4.879 4.556 -0.000 0.000 0.358 397 H C 1.375 176.748 175.328 0.075 0.000 1.187 397 H CA -0.724 55.381 56.048 0.094 0.000 1.221 397 H CB 2.138 31.943 29.762 0.072 0.000 1.799 397 H HN 0.419 nan 8.280 nan 0.000 0.568 398 A N 1.616 124.509 122.820 0.121 0.000 1.906 398 A HA -0.279 4.041 4.320 -0.000 0.000 0.222 398 A C 0.836 178.475 177.584 0.092 0.000 1.282 398 A CA 2.192 54.278 52.037 0.082 0.000 0.675 398 A CB -1.057 17.979 19.000 0.060 0.000 0.838 398 A HN 1.261 nan 8.150 nan 0.000 0.469 399 S N -2.279 113.483 115.700 0.103 0.000 3.024 399 S HA 0.017 4.487 4.470 -0.000 0.000 0.819 399 S C -1.888 172.752 174.600 0.067 0.000 0.863 399 S CA -0.125 58.121 58.200 0.077 0.000 1.423 399 S CB -2.313 60.938 63.200 0.084 0.000 1.032 399 S HN 0.982 nan 8.310 nan 0.000 0.510 400 P HA 0.582 nan 4.420 nan 0.000 0.274 400 P C 0.850 178.227 177.300 0.128 0.000 1.231 400 P CA 0.222 63.370 63.100 0.079 0.000 0.790 400 P CB 0.389 32.100 31.700 0.018 0.000 0.951 401 G N 0.132 109.042 108.800 0.184 0.000 2.535 401 G HA2 0.531 4.491 3.960 -0.000 0.000 0.303 401 G HA3 0.531 4.491 3.960 -0.000 0.000 0.303 401 G C 0.120 175.237 174.900 0.363 0.000 1.237 401 G CA -0.562 44.671 45.100 0.222 0.000 0.986 401 G HN 0.623 nan 8.290 nan 0.000 0.494 402 G N -1.797 107.205 108.800 0.338 0.000 2.636 402 G HA2 0.344 4.304 3.960 -0.000 0.000 0.246 402 G HA3 0.344 4.304 3.960 -0.000 0.000 0.246 402 G C -0.296 174.777 174.900 0.288 0.000 1.216 402 G CA -0.370 44.982 45.100 0.419 0.000 0.854 402 G HN 0.624 nan 8.290 nan 0.000 0.572 403 Y N 0.067 120.399 120.300 0.053 0.000 2.805 403 Y HA 0.297 4.847 4.550 -0.000 0.000 0.337 403 Y C -0.047 175.754 175.900 -0.165 0.000 1.252 403 Y CA 0.533 58.456 58.100 -0.296 0.000 1.515 403 Y CB 0.509 38.908 38.460 -0.103 0.000 1.305 403 Y HN 0.246 nan 8.280 nan 0.000 0.600 404 V N 8.689 128.125 119.914 -0.797 0.000 2.711 404 V HA 0.223 4.343 4.120 -0.000 0.000 0.304 404 V C -0.614 174.989 176.094 -0.817 0.000 1.097 404 V CA -1.099 60.819 62.300 -0.636 0.000 0.906 404 V CB 1.726 33.405 31.823 -0.240 0.000 1.015 404 V HN 0.895 nan 8.190 nan 0.000 0.427 405 M N 3.171 122.352 119.600 -0.698 0.000 2.268 405 M HA 0.561 5.040 4.480 -0.000 0.000 0.344 405 M C 0.186 176.450 176.300 -0.060 0.000 1.106 405 M CA -0.138 54.943 55.300 -0.365 0.000 1.010 405 M CB 1.327 33.808 32.600 -0.198 0.000 1.649 405 M HN 0.933 nan 8.290 nan 0.000 0.443 406 D N 3.411 123.802 120.400 -0.015 0.000 2.493 406 D HA 0.238 4.878 4.640 -0.000 0.000 0.240 406 D C 0.454 176.828 176.300 0.124 0.000 1.142 406 D CA 0.431 54.468 54.000 0.061 0.000 0.872 406 D CB 0.311 41.126 40.800 0.024 0.000 1.173 406 D HN 0.809 nan 8.370 nan 0.000 0.467 407 S N 1.306 117.088 115.700 0.137 0.000 2.600 407 S HA 0.399 4.869 4.470 -0.000 0.000 0.265 407 S C 0.170 174.809 174.600 0.065 0.000 1.325 407 S CA -0.589 57.676 58.200 0.108 0.000 1.002 407 S CB 0.808 63.939 63.200 -0.115 0.000 0.921 407 S HN 0.568 nan 8.310 nan 0.000 0.554 408 R N 1.856 122.399 120.500 0.072 0.000 2.278 408 R HA 0.367 4.707 4.340 -0.000 0.000 0.322 408 R C -2.526 173.819 176.300 0.076 0.000 1.058 408 R CA -1.893 54.259 56.100 0.086 0.000 0.991 408 R CB 0.673 31.050 30.300 0.129 0.000 1.140 408 R HN 0.581 nan 8.270 nan 0.000 0.518 409 P HA 0.185 nan 4.420 nan 0.000 0.270 409 P C 0.181 177.287 177.300 -0.323 0.000 1.223 409 P CA 0.202 63.240 63.100 -0.104 0.000 0.785 409 P CB 1.242 32.983 31.700 0.067 0.000 0.923 410 G N 0.192 108.443 108.800 -0.914 0.000 2.356 410 G HA2 0.292 4.252 3.960 -0.000 0.000 0.300 410 G HA3 0.292 4.252 3.960 -0.000 0.000 0.300 410 G C -2.397 171.920 174.900 -0.971 0.000 1.331 410 G CA -0.746 43.625 45.100 -1.215 0.000 0.905 410 G HN 0.610 nan 8.290 nan 0.000 0.587 411 L N 0.515 121.279 121.223 -0.766 0.000 2.287 411 L HA 0.874 5.214 4.340 -0.000 0.000 0.287 411 L C -1.260 175.346 176.870 -0.440 0.000 1.022 411 L CA -1.344 53.273 54.840 -0.372 0.000 0.814 411 L CB 0.486 42.444 42.059 -0.168 0.000 1.217 411 L HN 0.552 nan 8.230 nan 0.000 0.420 412 Y N 2.055 122.256 120.300 -0.164 0.000 2.524 412 Y HA 0.500 5.050 4.550 -0.000 0.000 0.344 412 Y C -0.356 175.557 175.900 0.022 0.000 1.012 412 Y CA -0.866 57.127 58.100 -0.179 0.000 1.068 412 Y CB 1.654 39.916 38.460 -0.330 0.000 1.249 412 Y HN 0.487 nan 8.280 nan 0.000 0.468 413 D N 1.244 121.855 120.400 0.353 0.000 2.317 413 D HA 0.319 4.959 4.640 -0.000 0.000 0.234 413 D C -0.733 175.854 176.300 0.477 0.000 1.112 413 D CA 0.013 54.224 54.000 0.351 0.000 0.840 413 D CB 1.255 42.252 40.800 0.329 0.000 1.078 413 D HN 0.585 nan 8.370 nan 0.000 0.486 414 S N 0.254 116.174 115.700 0.366 0.000 3.644 414 S HA -0.089 4.381 4.470 -0.000 0.000 0.584 414 S C -0.441 174.357 174.600 0.329 0.000 0.658 414 S CA -0.228 58.226 58.200 0.422 0.000 1.414 414 S CB -0.567 62.888 63.200 0.425 0.000 0.901 414 S HN 0.308 nan 8.310 nan 0.000 0.867 415 V N 5.049 125.079 119.914 0.192 0.000 2.604 415 V HA 0.577 4.697 4.120 -0.000 0.000 0.305 415 V C 0.326 176.412 176.094 -0.013 0.000 1.043 415 V CA -0.769 61.499 62.300 -0.052 0.000 0.888 415 V CB 1.919 33.397 31.823 -0.577 0.000 0.995 415 V HN 0.629 nan 8.190 nan 0.000 0.429 416 L N 4.551 125.716 121.223 -0.097 0.000 2.322 416 L HA 0.686 5.025 4.340 -0.000 0.000 0.279 416 L C -0.633 176.100 176.870 -0.228 0.000 1.036 416 L CA -0.909 53.884 54.840 -0.078 0.000 0.807 416 L CB 1.875 43.886 42.059 -0.079 0.000 1.226 416 L HN 0.317 nan 8.230 nan 0.000 0.433 417 V N 4.136 123.885 119.914 -0.276 0.000 2.417 417 V HA 0.445 4.565 4.120 -0.000 0.000 0.291 417 V C -0.075 175.826 176.094 -0.321 0.000 1.024 417 V CA -0.429 61.566 62.300 -0.509 0.000 0.861 417 V CB 1.696 33.183 31.823 -0.560 0.000 0.985 417 V HN 0.487 nan 8.190 nan 0.000 0.436 418 L N 5.509 126.538 121.223 -0.322 0.000 2.325 418 L HA 0.693 5.032 4.340 -0.000 0.000 0.281 418 L C -0.943 175.763 176.870 -0.274 0.000 1.004 418 L CA -0.547 54.159 54.840 -0.223 0.000 0.823 418 L CB 1.918 43.862 42.059 -0.192 0.000 1.236 418 L HN 0.733 nan 8.230 nan 0.000 0.415 419 D N 1.372 121.627 120.400 -0.243 0.000 2.619 419 D HA 0.259 4.899 4.640 -0.000 0.000 0.241 419 D C -0.941 175.239 176.300 -0.200 0.000 1.087 419 D CA -0.592 53.288 54.000 -0.199 0.000 0.851 419 D CB 1.191 41.913 40.800 -0.130 0.000 1.474 419 D HN 0.187 nan 8.370 nan 0.000 0.478 420 Y N 0.817 121.092 120.300 -0.043 0.000 2.442 420 Y HA 0.099 4.649 4.550 -0.000 0.000 0.330 420 Y C 1.490 177.377 175.900 -0.023 0.000 1.129 420 Y CA 0.089 58.180 58.100 -0.015 0.000 1.365 420 Y CB 0.916 39.362 38.460 -0.025 0.000 1.233 420 Y HN 0.233 nan 8.280 nan 0.000 0.529 421 K N 2.319 122.816 120.400 0.162 0.000 2.379 421 K HA 0.054 4.374 4.320 -0.000 0.000 0.284 421 K C 0.156 176.791 176.600 0.057 0.000 1.044 421 K CA 0.097 56.416 56.287 0.053 0.000 0.974 421 K CB 0.292 32.837 32.500 0.074 0.000 0.962 421 K HN 0.837 nan 8.250 nan 0.000 0.474 422 S N 3.380 119.025 115.700 -0.091 0.000 3.247 422 S HA -0.178 4.292 4.470 -0.000 0.000 0.341 422 S C 0.873 175.536 174.600 0.104 0.000 0.924 422 S CA 0.308 58.465 58.200 -0.072 0.000 1.323 422 S CB -1.011 62.007 63.200 -0.304 0.000 0.918 422 S HN 0.706 nan 8.310 nan 0.000 0.523 423 L N 1.977 123.217 121.223 0.028 0.000 1.989 423 L HA -0.131 4.209 4.340 -0.000 0.000 0.211 423 L C 1.935 178.880 176.870 0.125 0.000 1.071 423 L CA 2.092 56.944 54.840 0.019 0.000 0.749 423 L CB -0.609 41.374 42.059 -0.127 0.000 0.890 423 L HN 0.609 nan 8.230 nan 0.000 0.431 424 Y N -0.073 120.194 120.300 -0.054 0.000 2.145 424 Y HA -0.076 4.474 4.550 -0.000 0.000 0.286 424 Y C -0.010 175.908 175.900 0.030 0.000 1.145 424 Y CA 0.752 58.809 58.100 -0.073 0.000 1.148 424 Y CB -2.592 35.755 38.460 -0.189 0.000 0.981 424 Y HN 0.283 nan 8.280 nan 0.000 0.507 425 P HA -0.152 nan 4.420 nan 0.000 0.216 425 P C 1.953 179.369 177.300 0.193 0.000 1.150 425 P CA 2.590 65.832 63.100 0.236 0.000 0.837 425 P CB -0.173 31.735 31.700 0.348 0.000 0.786 426 S N -1.250 114.617 115.700 0.278 0.000 2.402 426 S HA -0.103 4.366 4.470 -0.000 0.000 0.229 426 S C 1.956 176.540 174.600 -0.027 0.000 1.021 426 S CA 0.910 59.156 58.200 0.077 0.000 0.974 426 S CB -1.516 61.784 63.200 0.167 0.000 0.800 426 S HN 0.051 nan 8.310 nan 0.000 0.484 427 I N 1.253 121.851 120.570 0.047 0.000 2.286 427 I HA -0.094 4.075 4.170 -0.000 0.000 0.245 427 I C 2.444 178.589 176.117 0.048 0.000 1.104 427 I CA 0.781 62.148 61.300 0.111 0.000 1.397 427 I CB -0.387 37.627 38.000 0.023 0.000 1.072 427 I HN 0.198 nan 8.210 nan 0.000 0.417 428 V N 0.927 120.817 119.914 -0.040 0.000 2.332 428 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 428 V C 2.558 178.535 176.094 -0.196 0.000 1.055 428 V CA 1.940 64.160 62.300 -0.134 0.000 1.038 428 V CB -0.760 30.980 31.823 -0.139 0.000 0.651 428 V HN 0.381 nan 8.190 nan 0.000 0.450 429 R N -0.662 119.717 120.500 -0.202 0.000 2.075 429 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 429 R C 2.400 178.513 176.300 -0.312 0.000 1.126 429 R CA 1.884 57.817 56.100 -0.278 0.000 0.963 429 R CB -0.508 29.585 30.300 -0.344 0.000 0.858 429 R HN 0.499 nan 8.270 nan 0.000 0.435 430 T N -0.080 114.279 114.554 -0.324 0.000 2.852 430 T HA 0.008 4.358 4.350 -0.000 0.000 0.256 430 T C 1.090 175.413 174.700 -0.628 0.000 1.038 430 T CA 1.021 62.808 62.100 -0.522 0.000 1.141 430 T CB -0.029 68.417 68.868 -0.704 0.000 0.869 430 T HN 0.098 nan 8.240 nan 0.000 0.439 431 F N 0.776 120.595 119.950 -0.217 0.000 2.727 431 F HA 0.452 4.979 4.527 -0.000 0.000 0.302 431 F C 0.642 176.278 175.800 -0.273 0.000 1.097 431 F CA -0.201 57.679 58.000 -0.200 0.000 1.330 431 F CB -0.348 38.541 39.000 -0.186 0.000 1.084 431 F HN -0.082 nan 8.300 nan 0.000 0.578 432 L N -0.120 120.961 121.223 -0.236 0.000 3.898 432 L HA -0.225 4.115 4.340 -0.000 0.000 0.407 432 L C -0.565 176.016 176.870 -0.481 0.000 1.207 432 L CA -0.362 54.262 54.840 -0.360 0.000 0.931 432 L CB -2.138 39.779 42.059 -0.237 0.000 2.014 432 L HN -0.058 nan 8.230 nan 0.000 0.858 433 I N 1.221 121.420 120.570 -0.618 0.000 2.683 433 I HA 0.283 4.453 4.170 -0.000 0.000 0.286 433 I C 0.476 176.339 176.117 -0.423 0.000 1.175 433 I CA 0.736 61.450 61.300 -0.977 0.000 1.429 433 I CB 0.640 38.264 38.000 -0.626 0.000 1.371 433 I HN 0.212 nan 8.210 nan 0.000 0.569 434 D N 6.698 126.991 120.400 -0.177 0.000 2.747 434 D HA 0.288 4.928 4.640 -0.000 0.000 0.218 434 D C -2.376 174.044 176.300 0.200 0.000 1.230 434 D CA -0.822 53.225 54.000 0.079 0.000 0.774 434 D CB 1.985 42.857 40.800 0.120 0.000 1.667 434 D HN 0.051 nan 8.370 nan 0.000 0.499 435 P HA -0.129 nan 4.420 nan 0.000 0.214 435 P C 1.419 178.746 177.300 0.045 0.000 1.163 435 P CA 0.695 63.913 63.100 0.197 0.000 0.883 435 P CB 0.300 32.119 31.700 0.197 0.000 0.788 436 V N -0.279 119.654 119.914 0.032 0.000 2.379 436 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 436 V C 2.566 178.526 176.094 -0.224 0.000 1.044 436 V CA 2.404 64.486 62.300 -0.363 0.000 1.036 436 V CB -1.839 29.885 31.823 -0.165 0.000 0.664 436 V HN 0.177 nan 8.190 nan 0.000 0.453 437 G N -0.005 108.826 108.800 0.052 0.000 2.469 437 G HA2 -0.295 3.664 3.960 -0.000 0.000 0.220 437 G HA3 -0.295 3.664 3.960 -0.000 0.000 0.220 437 G C 1.574 176.553 174.900 0.131 0.000 1.136 437 G CA 1.323 46.523 45.100 0.168 0.000 0.759 437 G HN 0.436 nan 8.290 nan 0.000 0.562 438 L N 0.789 122.080 121.223 0.113 0.000 2.017 438 L HA -0.013 4.327 4.340 -0.000 0.000 0.208 438 L C 2.987 179.747 176.870 -0.183 0.000 1.073 438 L CA 1.460 56.226 54.840 -0.124 0.000 0.745 438 L CB -0.669 41.339 42.059 -0.084 0.000 0.894 438 L HN 0.097 nan 8.230 nan 0.000 0.432 439 V N -0.044 119.708 119.914 -0.269 0.000 2.287 439 V HA -0.271 3.848 4.120 -0.000 0.000 0.248 439 V C 2.635 178.608 176.094 -0.202 0.000 1.053 439 V CA 2.026 64.130 62.300 -0.327 0.000 1.027 439 V CB -0.746 30.654 31.823 -0.705 0.000 0.646 439 V HN 0.480 nan 8.190 nan 0.000 0.447 440 E N 0.382 120.477 120.200 -0.175 0.000 2.150 440 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 440 E C 2.322 178.898 176.600 -0.041 0.000 0.985 440 E CA 1.337 57.702 56.400 -0.059 0.000 0.814 440 E CB -0.478 29.217 29.700 -0.009 0.000 0.752 440 E HN 0.645 nan 8.360 nan 0.000 0.466 441 G N 1.272 110.055 108.800 -0.028 0.000 2.404 441 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.215 441 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.215 441 G C 1.523 176.403 174.900 -0.034 0.000 1.174 441 G CA 0.494 45.602 45.100 0.013 0.000 0.780 441 G HN 0.101 nan 8.290 nan 0.000 0.537 442 M N 1.329 120.892 119.600 -0.062 0.000 2.346 442 M HA 0.059 4.539 4.480 -0.000 0.000 0.263 442 M C 2.729 178.966 176.300 -0.106 0.000 1.064 442 M CA 0.900 56.162 55.300 -0.063 0.000 1.083 442 M CB -1.034 31.531 32.600 -0.058 0.000 1.399 442 M HN 0.328 nan 8.290 nan 0.000 0.435 443 A N -0.426 122.331 122.820 -0.104 0.000 2.072 443 A HA -0.016 4.303 4.320 -0.000 0.000 0.216 443 A C 1.100 178.578 177.584 -0.177 0.000 1.156 443 A CA 0.608 52.577 52.037 -0.113 0.000 0.701 443 A CB 0.000 18.955 19.000 -0.076 0.000 0.816 443 A HN 0.592 nan 8.150 nan 0.000 0.458 444 Q N 0.126 119.797 119.800 -0.215 0.000 3.122 444 Q HA 0.189 4.529 4.340 -0.000 0.000 0.282 444 Q C -2.660 173.102 176.000 -0.396 0.000 0.947 444 Q CA -1.791 53.822 55.803 -0.317 0.000 0.812 444 Q CB 1.584 30.094 28.738 -0.379 0.000 1.333 444 Q HN 0.274 nan 8.270 nan 0.000 0.430 445 P HA -0.021 nan 4.420 nan 0.000 0.226 445 P C -1.311 174.906 177.300 -1.805 0.000 1.783 445 P CA 0.353 62.617 63.100 -1.393 0.000 0.980 445 P CB -0.390 30.600 31.700 -1.182 0.000 1.967 446 D N -0.585 119.156 120.400 -1.098 0.000 2.596 446 D HA 0.351 4.991 4.640 -0.000 0.000 0.234 446 D C -2.438 173.785 176.300 -0.129 0.000 1.181 446 D CA -2.275 51.351 54.000 -0.624 0.000 0.856 446 D CB 0.894 41.552 40.800 -0.236 0.000 1.498 446 D HN -0.253 nan 8.370 nan 0.000 0.446 447 P HA -0.062 nan 4.420 nan 0.000 0.226 447 P C 0.516 177.875 177.300 0.099 0.000 1.153 447 P CA 0.927 64.165 63.100 0.230 0.000 0.777 447 P CB 0.295 32.115 31.700 0.200 0.000 0.794 448 E N -0.904 119.307 120.200 0.018 0.000 2.046 448 E HA -0.148 4.202 4.350 -0.000 0.000 0.190 448 E C 1.987 178.461 176.600 -0.210 0.000 0.982 448 E CA 1.271 57.593 56.400 -0.130 0.000 0.800 448 E CB -0.930 28.624 29.700 -0.243 0.000 0.756 448 E HN 0.495 nan 8.360 nan 0.000 0.449 449 H N -1.103 117.962 119.070 -0.007 0.000 2.595 449 H HA 0.395 4.951 4.556 -0.000 0.000 0.265 449 H C 0.217 175.579 175.328 0.057 0.000 0.953 449 H CA 0.416 56.465 56.048 0.002 0.000 1.197 449 H CB 0.792 30.528 29.762 -0.042 0.000 1.438 449 H HN -0.042 nan 8.280 nan 0.000 0.531 450 S N -0.556 115.280 115.700 0.227 0.000 2.705 450 S HA 0.366 4.836 4.470 -0.000 0.000 0.280 450 S C -0.509 174.336 174.600 0.409 0.000 1.174 450 S CA -0.681 57.705 58.200 0.310 0.000 0.823 450 S CB 3.076 66.479 63.200 0.340 0.000 1.162 450 S HN 0.161 nan 8.310 nan 0.000 0.487 451 T N 0.828 115.638 114.554 0.426 0.000 2.886 451 T HA 0.429 4.778 4.350 -0.000 0.000 0.292 451 T C -1.427 173.354 174.700 0.134 0.000 1.012 451 T CA -0.512 61.764 62.100 0.295 0.000 0.982 451 T CB 1.348 70.341 68.868 0.209 0.000 1.018 451 T HN 0.588 nan 8.240 nan 0.000 0.451 452 E N 2.845 122.867 120.200 -0.298 0.000 2.289 452 E HA 0.545 4.894 4.350 -0.000 0.000 0.278 452 E C 0.516 176.877 176.600 -0.399 0.000 1.032 452 E CA -0.392 55.510 56.400 -0.831 0.000 0.854 452 E CB 0.706 29.582 29.700 -1.373 0.000 1.046 452 E HN 0.784 nan 8.360 nan 0.000 0.409 453 G N 3.400 112.023 108.800 -0.295 0.000 3.075 453 G HA2 0.323 4.283 3.960 -0.000 0.000 0.156 453 G HA3 0.323 4.283 3.960 -0.000 0.000 0.156 453 G C -0.854 173.849 174.900 -0.330 0.000 1.403 453 G CA -0.431 44.656 45.100 -0.022 0.000 1.033 453 G HN 0.464 nan 8.290 nan 0.000 0.589 454 F N -1.270 118.625 119.950 -0.091 0.000 2.572 454 F HA 0.528 5.055 4.527 -0.000 0.000 0.342 454 F C 0.650 176.381 175.800 -0.116 0.000 1.064 454 F CA -0.742 57.187 58.000 -0.117 0.000 1.008 454 F CB 1.195 40.132 39.000 -0.105 0.000 1.303 454 F HN 0.010 nan 8.300 nan 0.000 0.492 455 L N 2.174 123.448 121.223 0.085 0.000 3.678 455 L HA -0.281 4.058 4.340 -0.000 0.000 0.425 455 L C -0.178 176.660 176.870 -0.053 0.000 1.240 455 L CA 0.769 55.618 54.840 0.015 0.000 0.876 455 L CB -2.083 39.973 42.059 -0.005 0.000 1.766 455 L HN 0.807 nan 8.230 nan 0.000 0.917 456 D N -2.666 117.671 120.400 -0.105 0.000 2.955 456 D HA -0.199 4.441 4.640 -0.000 0.000 0.226 456 D C 1.062 177.246 176.300 -0.192 0.000 1.178 456 D CA 1.464 55.385 54.000 -0.132 0.000 0.808 456 D CB -0.606 40.193 40.800 -0.002 0.000 1.099 456 D HN 0.758 nan 8.370 nan 0.000 0.421 457 A N -0.725 121.922 122.820 -0.288 0.000 2.388 457 A HA 0.447 4.766 4.320 -0.000 0.000 0.257 457 A C -0.162 177.065 177.584 -0.595 0.000 1.095 457 A CA -0.003 51.798 52.037 -0.393 0.000 0.791 457 A CB 0.531 19.262 19.000 -0.449 0.000 1.029 457 A HN 0.222 nan 8.150 nan 0.000 0.489 458 W N 0.498 121.497 121.300 -0.502 0.000 2.819 458 W HA 0.636 5.296 4.660 -0.000 0.000 0.337 458 W C -1.139 175.051 176.519 -0.549 0.000 1.077 458 W CA -0.205 56.928 57.345 -0.352 0.000 1.226 458 W CB 1.777 31.129 29.460 -0.180 0.000 1.419 458 W HN 0.516 nan 8.180 nan 0.000 0.502 459 F N 1.934 122.014 119.950 0.215 0.000 2.493 459 F HA 0.353 4.880 4.527 -0.000 0.000 0.329 459 F C 0.703 176.601 175.800 0.163 0.000 1.126 459 F CA -1.015 57.063 58.000 0.130 0.000 0.937 459 F CB 1.835 40.876 39.000 0.068 0.000 1.146 459 F HN 0.119 nan 8.300 nan 0.000 0.442 460 S N 2.519 118.389 115.700 0.282 0.000 2.560 460 S HA 0.126 4.596 4.470 -0.000 0.000 0.284 460 S C 1.294 176.065 174.600 0.286 0.000 1.327 460 S CA -0.277 58.060 58.200 0.227 0.000 1.055 460 S CB 0.620 63.906 63.200 0.142 0.000 0.868 460 S HN 0.753 nan 8.310 nan 0.000 0.506 461 R N 2.542 123.174 120.500 0.220 0.000 2.200 461 R HA 0.056 4.395 4.340 -0.000 0.000 0.208 461 R C 1.588 177.971 176.300 0.138 0.000 1.033 461 R CA 1.131 57.356 56.100 0.209 0.000 1.000 461 R CB 0.048 30.423 30.300 0.125 0.000 0.906 461 R HN 0.681 nan 8.270 nan 0.000 0.462 462 E N 0.165 120.396 120.200 0.051 0.000 2.307 462 E HA -0.003 4.347 4.350 -0.000 0.000 0.195 462 E C 0.090 176.570 176.600 -0.200 0.000 0.975 462 E CA 0.467 56.830 56.400 -0.061 0.000 0.878 462 E CB 0.477 30.174 29.700 -0.006 0.000 0.845 462 E HN -0.106 nan 8.360 nan 0.000 0.488 463 K N 0.978 121.282 120.400 -0.160 0.000 2.604 463 K HA 0.275 4.594 4.320 -0.000 0.000 0.247 463 K C -1.690 174.852 176.600 -0.097 0.000 0.956 463 K CA -0.483 55.703 56.287 -0.170 0.000 0.896 463 K CB 0.507 32.987 32.500 -0.034 0.000 1.131 463 K HN 0.077 nan 8.250 nan 0.000 0.440 464 H N 0.077 119.150 119.070 0.006 0.000 2.981 464 H HA 0.502 5.058 4.556 -0.000 0.000 0.327 464 H C -0.491 174.816 175.328 -0.035 0.000 1.342 464 H CA -1.019 55.031 56.048 0.004 0.000 1.123 464 H CB 0.964 30.737 29.762 0.019 0.000 1.851 464 H HN 0.318 nan 8.280 nan 0.000 0.531 465 C N -0.731 118.668 119.300 0.165 0.000 2.709 465 C HA 0.150 4.610 4.460 -0.000 0.000 0.504 465 C C 2.288 177.297 174.990 0.032 0.000 1.338 465 C CA 0.269 59.276 59.018 -0.018 0.000 2.606 465 C CB -0.501 26.984 27.740 -0.425 0.000 3.196 465 C HN 0.784 nan 8.230 nan 0.000 0.538 466 L N 2.548 123.856 121.223 0.142 0.000 2.042 466 L HA -0.017 4.323 4.340 -0.000 0.000 0.210 466 L C -0.935 175.871 176.870 -0.108 0.000 1.076 466 L CA 2.475 57.343 54.840 0.047 0.000 0.749 466 L CB -1.484 40.627 42.059 0.086 0.000 0.893 466 L HN 0.154 nan 8.230 nan 0.000 0.432 467 P HA -0.168 nan 4.420 nan 0.000 0.215 467 P C 1.324 178.546 177.300 -0.130 0.000 1.157 467 P CA 1.413 64.386 63.100 -0.212 0.000 0.868 467 P CB 0.079 31.542 31.700 -0.396 0.000 0.788 468 E N -0.651 119.531 120.200 -0.030 0.000 2.058 468 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 468 E C 2.018 178.603 176.600 -0.025 0.000 0.997 468 E CA 1.076 57.470 56.400 -0.010 0.000 0.801 468 E CB -0.977 28.739 29.700 0.027 0.000 0.746 468 E HN 0.222 nan 8.360 nan 0.000 0.450 469 I N -0.006 120.546 120.570 -0.031 0.000 2.127 469 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 469 I C 2.137 178.235 176.117 -0.033 0.000 1.075 469 I CA 0.871 62.168 61.300 -0.005 0.000 1.334 469 I CB -0.282 37.711 38.000 -0.012 0.000 1.040 469 I HN 0.015 nan 8.210 nan 0.000 0.405 470 V N 0.394 120.198 119.914 -0.185 0.000 2.332 470 V HA -0.308 3.812 4.120 -0.000 0.000 0.248 470 V C 2.485 178.550 176.094 -0.048 0.000 1.055 470 V CA 2.499 64.669 62.300 -0.217 0.000 1.038 470 V CB -1.000 30.607 31.823 -0.360 0.000 0.651 470 V HN 0.486 nan 8.190 nan 0.000 0.450 471 T N 0.248 114.732 114.554 -0.116 0.000 2.746 471 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 471 T C 1.851 176.512 174.700 -0.064 0.000 1.039 471 T CA 1.650 63.637 62.100 -0.189 0.000 1.142 471 T CB -0.375 68.391 68.868 -0.169 0.000 0.866 471 T HN 0.442 nan 8.240 nan 0.000 0.444 472 N N 1.070 119.795 118.700 0.042 0.000 2.120 472 N HA 0.035 4.775 4.740 -0.000 0.000 0.188 472 N C 1.894 177.502 175.510 0.164 0.000 1.024 472 N CA 0.927 54.048 53.050 0.119 0.000 0.852 472 N CB -0.434 38.111 38.487 0.098 0.000 1.003 472 N HN 0.379 nan 8.380 nan 0.000 0.424 473 I N 0.021 120.696 120.570 0.175 0.000 2.179 473 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 473 I C 2.420 178.681 176.117 0.240 0.000 1.088 473 I CA 0.821 62.254 61.300 0.222 0.000 1.357 473 I CB -0.180 38.002 38.000 0.304 0.000 1.051 473 I HN 0.279 nan 8.210 nan 0.000 0.409 474 W N 1.944 123.242 121.300 -0.004 0.000 2.333 474 W HA -0.254 4.406 4.660 -0.000 0.000 0.316 474 W C 2.707 179.221 176.519 -0.010 0.000 1.215 474 W CA 1.872 59.186 57.345 -0.051 0.000 1.278 474 W CB -0.838 28.503 29.460 -0.200 0.000 1.154 474 W HN 0.274 nan 8.180 nan 0.000 0.486 475 H N -0.641 118.711 119.070 0.470 0.000 2.387 475 H HA -0.070 4.486 4.556 -0.000 0.000 0.299 475 H C 2.464 177.902 175.328 0.183 0.000 1.090 475 H CA 1.696 57.925 56.048 0.302 0.000 1.332 475 H CB -1.244 28.625 29.762 0.179 0.000 1.386 475 H HN 0.263 nan 8.280 nan 0.000 0.516 476 G N 0.285 109.249 108.800 0.273 0.000 2.408 476 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.217 476 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.217 476 G C 1.962 176.946 174.900 0.140 0.000 1.150 476 G CA 0.625 45.833 45.100 0.180 0.000 0.776 476 G HN 0.341 nan 8.290 nan 0.000 0.542 477 R N 0.380 120.955 120.500 0.124 0.000 2.066 477 R HA -0.068 4.272 4.340 -0.000 0.000 0.232 477 R C 1.962 178.296 176.300 0.056 0.000 1.131 477 R CA 1.718 57.855 56.100 0.063 0.000 0.955 477 R CB -0.240 30.053 30.300 -0.011 0.000 0.851 477 R HN 0.167 nan 8.270 nan 0.000 0.432 478 D N 0.011 120.462 120.400 0.085 0.000 2.178 478 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 478 D C 1.699 178.057 176.300 0.097 0.000 0.980 478 D CA 1.167 55.223 54.000 0.094 0.000 0.842 478 D CB -0.026 40.882 40.800 0.180 0.000 0.948 478 D HN 0.342 nan 8.370 nan 0.000 0.472 479 E N 1.167 121.435 120.200 0.114 0.000 2.046 479 E HA -0.029 4.321 4.350 -0.000 0.000 0.190 479 E C 1.940 178.584 176.600 0.074 0.000 0.982 479 E CA 1.293 57.748 56.400 0.092 0.000 0.800 479 E CB -0.287 29.471 29.700 0.098 0.000 0.756 479 E HN 0.086 nan 8.360 nan 0.000 0.449 480 A N 0.882 123.748 122.820 0.076 0.000 1.908 480 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 480 A C 2.164 179.783 177.584 0.057 0.000 1.181 480 A CA 2.028 54.105 52.037 0.067 0.000 0.627 480 A CB -0.574 18.470 19.000 0.073 0.000 0.818 480 A HN 0.236 nan 8.150 nan 0.000 0.445 481 K N -0.948 119.483 120.400 0.051 0.000 2.032 481 K HA -0.160 4.159 4.320 -0.000 0.000 0.209 481 K C 2.401 179.025 176.600 0.039 0.000 1.048 481 K CA 1.653 57.964 56.287 0.040 0.000 0.927 481 K CB -0.192 32.324 32.500 0.027 0.000 0.712 481 K HN 0.464 nan 8.250 nan 0.000 0.441 482 R N 0.948 121.474 120.500 0.044 0.000 2.105 482 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 482 R C 1.687 178.011 176.300 0.039 0.000 1.135 482 R CA 1.702 57.827 56.100 0.041 0.000 0.967 482 R CB 0.038 30.365 30.300 0.046 0.000 0.861 482 R HN 0.298 nan 8.270 nan 0.000 0.442 483 Q N -1.158 118.668 119.800 0.043 0.000 2.403 483 Q HA 0.087 4.427 4.340 -0.000 0.000 0.203 483 Q C 0.557 176.580 176.000 0.039 0.000 0.932 483 Q CA 0.482 56.310 55.803 0.041 0.000 0.945 483 Q CB 0.869 29.634 28.738 0.045 0.000 1.045 483 Q HN 0.667 nan 8.270 nan 0.000 0.511 484 G N 2.236 111.059 108.800 0.040 0.000 2.143 484 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.248 484 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.248 484 G C -0.035 174.893 174.900 0.047 0.000 0.991 484 G CA 0.191 45.315 45.100 0.040 0.000 0.689 484 G HN 0.313 nan 8.290 nan 0.000 0.522 485 N N 0.523 119.254 118.700 0.052 0.000 2.719 485 N HA 0.301 5.041 4.740 -0.000 0.000 0.243 485 N C 1.499 177.054 175.510 0.076 0.000 1.104 485 N CA -0.083 53.004 53.050 0.061 0.000 0.981 485 N CB 0.315 38.838 38.487 0.059 0.000 1.290 485 N HN 0.482 nan 8.380 nan 0.000 0.513 486 K N 2.035 122.484 120.400 0.082 0.000 2.026 486 K HA -0.068 4.251 4.320 -0.000 0.000 0.208 486 K C -0.895 175.789 176.600 0.141 0.000 1.048 486 K CA 1.418 57.764 56.287 0.098 0.000 0.929 486 K CB -0.312 32.243 32.500 0.093 0.000 0.713 486 K HN 0.387 nan 8.250 nan 0.000 0.439 487 P HA -0.163 nan 4.420 nan 0.000 0.218 487 P C 1.147 178.586 177.300 0.232 0.000 1.149 487 P CA 0.895 64.146 63.100 0.252 0.000 0.817 487 P CB 0.141 31.968 31.700 0.211 0.000 0.785 488 L N -1.126 120.181 121.223 0.140 0.000 2.131 488 L HA 0.063 4.402 4.340 -0.000 0.000 0.206 488 L C 2.358 179.298 176.870 0.116 0.000 1.087 488 L CA 1.748 56.651 54.840 0.105 0.000 0.767 488 L CB -1.450 40.656 42.059 0.077 0.000 0.917 488 L HN -0.148 nan 8.230 nan 0.000 0.441 489 S N -1.004 114.763 115.700 0.112 0.000 2.368 489 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 489 S C 2.008 176.684 174.600 0.126 0.000 1.030 489 S CA 1.641 59.897 58.200 0.094 0.000 0.999 489 S CB -0.241 63.001 63.200 0.070 0.000 0.844 489 S HN 0.645 nan 8.310 nan 0.000 0.459 490 Q N 0.256 120.167 119.800 0.185 0.000 2.002 490 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 490 Q C 2.345 178.556 176.000 0.352 0.000 0.988 490 Q CA 1.656 57.612 55.803 0.255 0.000 0.843 490 Q CB -0.514 28.396 28.738 0.287 0.000 0.908 490 Q HN 0.634 nan 8.270 nan 0.000 0.420 491 A N 0.890 123.951 122.820 0.403 0.000 1.884 491 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 491 A C 2.059 179.721 177.584 0.130 0.000 1.197 491 A CA 1.889 54.042 52.037 0.193 0.000 0.637 491 A CB -1.106 17.843 19.000 -0.084 0.000 0.827 491 A HN 0.479 nan 8.150 nan 0.000 0.450 492 L N -0.817 120.471 121.223 0.109 0.000 2.265 492 L HA -0.188 4.152 4.340 -0.000 0.000 0.215 492 L C 2.564 179.491 176.870 0.094 0.000 1.117 492 L CA 1.784 56.683 54.840 0.099 0.000 0.782 492 L CB -0.387 41.730 42.059 0.096 0.000 0.914 492 L HN 0.527 nan 8.230 nan 0.000 0.441 493 K N 1.032 121.490 120.400 0.096 0.000 2.044 493 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 493 K C 2.148 178.798 176.600 0.084 0.000 1.049 493 K CA 1.005 57.331 56.287 0.065 0.000 0.945 493 K CB -0.001 32.530 32.500 0.051 0.000 0.724 493 K HN 0.178 nan 8.250 nan 0.000 0.440 494 I N 1.338 121.989 120.570 0.134 0.000 2.163 494 I HA -0.318 3.851 4.170 -0.000 0.000 0.243 494 I C 2.242 178.400 176.117 0.067 0.000 1.085 494 I CA 1.360 62.746 61.300 0.144 0.000 1.347 494 I CB -0.224 37.930 38.000 0.257 0.000 1.044 494 I HN 0.198 nan 8.210 nan 0.000 0.408 495 I N -0.293 120.298 120.570 0.036 0.000 2.252 495 I HA -0.308 3.862 4.170 -0.000 0.000 0.245 495 I C 2.607 178.596 176.117 -0.212 0.000 1.102 495 I CA 1.449 62.685 61.300 -0.107 0.000 1.385 495 I CB -0.215 37.744 38.000 -0.067 0.000 1.064 495 I HN 0.227 nan 8.210 nan 0.000 0.414 496 M N 0.492 120.140 119.600 0.080 0.000 2.132 496 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 496 M C 1.868 178.333 176.300 0.274 0.000 1.065 496 M CA 1.914 57.412 55.300 0.329 0.000 1.122 496 M CB -0.313 32.457 32.600 0.283 0.000 1.365 496 M HN 0.221 nan 8.290 nan 0.000 0.411 497 N N -0.369 118.410 118.700 0.131 0.000 2.364 497 N HA -0.089 4.651 4.740 -0.000 0.000 0.183 497 N C 1.349 176.952 175.510 0.154 0.000 1.022 497 N CA 0.802 53.926 53.050 0.124 0.000 0.883 497 N CB -0.044 38.480 38.487 0.062 0.000 0.965 497 N HN 0.355 nan 8.380 nan 0.000 0.438 498 A N 0.094 122.951 122.820 0.061 0.000 2.081 498 A HA 0.080 4.400 4.320 -0.000 0.000 0.214 498 A C 1.560 179.196 177.584 0.085 0.000 1.158 498 A CA 0.209 52.266 52.037 0.033 0.000 0.724 498 A CB -0.446 18.520 19.000 -0.057 0.000 0.826 498 A HN 0.160 nan 8.150 nan 0.000 0.463 499 F N -1.429 118.666 119.950 0.241 0.000 2.091 499 F HA -0.251 4.276 4.527 -0.000 0.000 0.299 499 F C 2.225 178.144 175.800 0.199 0.000 1.103 499 F CA 2.038 60.195 58.000 0.263 0.000 1.228 499 F CB -0.612 38.563 39.000 0.292 0.000 0.984 499 F HN 0.452 nan 8.300 nan 0.000 0.477 500 Y N 0.883 121.366 120.300 0.305 0.000 2.145 500 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 500 Y C 2.441 178.406 175.900 0.108 0.000 1.145 500 Y CA 1.483 59.690 58.100 0.177 0.000 1.148 500 Y CB -1.047 37.570 38.460 0.263 0.000 0.981 500 Y HN -0.009 nan 8.280 nan 0.000 0.507 501 G N -0.425 108.458 108.800 0.139 0.000 2.422 501 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.218 501 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.218 501 G C 1.709 176.573 174.900 -0.060 0.000 1.146 501 G CA 1.353 46.452 45.100 -0.002 0.000 0.769 501 G HN 0.384 nan 8.290 nan 0.000 0.547 502 V N 1.046 120.938 119.914 -0.037 0.000 2.261 502 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 502 V C 2.896 178.881 176.094 -0.181 0.000 1.047 502 V CA 1.560 63.785 62.300 -0.124 0.000 1.015 502 V CB -0.481 31.226 31.823 -0.192 0.000 0.642 502 V HN 0.352 nan 8.190 nan 0.000 0.446 503 L N 0.435 121.539 121.223 -0.200 0.000 2.265 503 L HA -0.075 4.265 4.340 -0.000 0.000 0.215 503 L C 2.306 179.145 176.870 -0.053 0.000 1.117 503 L CA 1.438 56.175 54.840 -0.172 0.000 0.782 503 L CB -0.793 41.179 42.059 -0.144 0.000 0.914 503 L HN 0.500 nan 8.230 nan 0.000 0.441 504 G N -1.719 107.013 108.800 -0.113 0.000 2.985 504 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.209 504 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.209 504 G C 0.597 175.571 174.900 0.124 0.000 1.165 504 G CA 0.185 45.271 45.100 -0.024 0.000 0.776 504 G HN 0.210 nan 8.290 nan 0.000 0.541 505 T N -0.459 114.123 114.554 0.047 0.000 2.823 505 T HA 0.375 4.725 4.350 -0.000 0.000 0.279 505 T C 1.814 176.301 174.700 -0.355 0.000 0.998 505 T CA 0.319 62.322 62.100 -0.163 0.000 0.994 505 T CB 1.404 70.200 68.868 -0.120 0.000 0.960 505 T HN 0.086 nan 8.240 nan 0.000 0.448 506 T N 2.095 116.207 114.554 -0.737 0.000 3.025 506 T HA 0.008 4.358 4.350 -0.000 0.000 0.270 506 T C 2.037 176.571 174.700 -0.277 0.000 1.126 506 T CA 0.882 62.570 62.100 -0.686 0.000 1.105 506 T CB -0.378 68.111 68.868 -0.631 0.000 0.884 506 T HN 0.653 nan 8.240 nan 0.000 0.522 507 A N 0.009 122.706 122.820 -0.205 0.000 2.172 507 A HA 0.189 4.509 4.320 -0.000 0.000 0.216 507 A C 1.507 179.043 177.584 -0.080 0.000 1.154 507 A CA 0.323 52.285 52.037 -0.125 0.000 0.701 507 A CB -0.982 17.956 19.000 -0.104 0.000 0.789 507 A HN 0.709 nan 8.150 nan 0.000 0.465 508 C N 1.334 120.595 119.300 -0.064 0.000 2.307 508 C HA 0.469 4.929 4.460 -0.000 0.000 0.340 508 C C 2.144 177.118 174.990 -0.026 0.000 1.275 508 C CA -0.617 58.387 59.018 -0.024 0.000 1.811 508 C CB 0.157 27.875 27.740 -0.035 0.000 2.372 508 C HN 0.714 nan 8.230 nan 0.000 0.531 509 R N 2.904 123.331 120.500 -0.122 0.000 2.193 509 R HA -0.088 4.251 4.340 -0.000 0.000 0.229 509 R C 0.627 176.702 176.300 -0.375 0.000 1.110 509 R CA 1.795 57.731 56.100 -0.272 0.000 0.988 509 R CB -0.472 29.582 30.300 -0.410 0.000 0.871 509 R HN 0.736 nan 8.270 nan 0.000 0.458 510 F N 0.591 120.508 119.950 -0.055 0.000 2.773 510 F HA 0.178 4.705 4.527 -0.000 0.000 0.304 510 F C 0.615 176.382 175.800 -0.056 0.000 1.129 510 F CA -0.820 57.120 58.000 -0.099 0.000 1.378 510 F CB -0.159 38.758 39.000 -0.137 0.000 1.095 510 F HN -0.118 nan 8.300 nan 0.000 0.565 511 F N 2.675 122.607 119.950 -0.030 0.000 2.623 511 F HA 0.083 4.609 4.527 -0.000 0.000 0.383 511 F C 0.180 175.972 175.800 -0.013 0.000 1.077 511 F CA 0.109 58.083 58.000 -0.044 0.000 1.268 511 F CB 0.161 39.121 39.000 -0.067 0.000 1.053 511 F HN -0.002 nan 8.300 nan 0.000 0.571 512 D N 7.457 127.258 120.400 -0.998 0.000 2.977 512 D HA 0.217 4.857 4.640 -0.000 0.000 0.220 512 D C -2.468 173.226 176.300 -1.009 0.000 1.267 512 D CA -1.560 51.955 54.000 -0.808 0.000 0.884 512 D CB 2.585 43.212 40.800 -0.289 0.000 1.667 512 D HN 0.153 nan 8.370 nan 0.000 0.536 513 P HA -0.045 nan 4.420 nan 0.000 0.218 513 P C 1.069 178.172 177.300 -0.328 0.000 1.146 513 P CA 0.989 63.776 63.100 -0.522 0.000 0.813 513 P CB 0.282 31.692 31.700 -0.483 0.000 0.778 514 R N -1.218 119.118 120.500 -0.273 0.000 2.189 514 R HA 0.009 4.349 4.340 -0.000 0.000 0.223 514 R C 2.118 178.431 176.300 0.022 0.000 1.092 514 R CA 0.738 56.773 56.100 -0.108 0.000 0.989 514 R CB -0.643 29.593 30.300 -0.108 0.000 0.876 514 R HN 0.263 nan 8.270 nan 0.000 0.457 515 L N -0.457 120.731 121.223 -0.058 0.000 1.993 515 L HA -0.048 4.292 4.340 -0.000 0.000 0.206 515 L C 2.595 179.411 176.870 -0.090 0.000 1.074 515 L CA 1.300 56.131 54.840 -0.016 0.000 0.746 515 L CB -0.612 41.398 42.059 -0.082 0.000 0.896 515 L HN 0.183 nan 8.230 nan 0.000 0.435 516 A N -0.738 121.984 122.820 -0.164 0.000 1.930 516 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 516 A C 2.472 179.981 177.584 -0.126 0.000 1.175 516 A CA 1.789 53.723 52.037 -0.172 0.000 0.627 516 A CB -0.594 18.219 19.000 -0.311 0.000 0.815 516 A HN 0.362 nan 8.150 nan 0.000 0.443 517 S N 0.202 115.829 115.700 -0.122 0.000 2.383 517 S HA -0.124 4.346 4.470 -0.000 0.000 0.229 517 S C 2.227 176.721 174.600 -0.176 0.000 1.030 517 S CA 1.518 59.639 58.200 -0.133 0.000 1.002 517 S CB -0.259 62.892 63.200 -0.081 0.000 0.829 517 S HN 0.631 nan 8.310 nan 0.000 0.467 518 S N 1.148 116.815 115.700 -0.054 0.000 2.402 518 S HA 0.088 4.558 4.470 -0.000 0.000 0.229 518 S C 1.714 176.213 174.600 -0.168 0.000 1.021 518 S CA 0.691 58.912 58.200 0.034 0.000 0.974 518 S CB -0.273 63.065 63.200 0.230 0.000 0.800 518 S HN 0.422 nan 8.310 nan 0.000 0.484 519 I N 1.166 121.603 120.570 -0.223 0.000 2.193 519 I HA -0.154 4.015 4.170 -0.000 0.000 0.240 519 I C 2.510 178.314 176.117 -0.521 0.000 1.084 519 I CA 1.170 62.261 61.300 -0.347 0.000 1.365 519 I CB -0.893 36.931 38.000 -0.294 0.000 1.064 519 I HN 0.237 nan 8.210 nan 0.000 0.410 520 T N 0.932 115.201 114.554 -0.475 0.000 2.708 520 T HA -0.193 4.157 4.350 -0.000 0.000 0.266 520 T C 1.897 176.173 174.700 -0.707 0.000 1.037 520 T CA 1.588 63.380 62.100 -0.512 0.000 1.146 520 T CB -0.249 68.448 68.868 -0.286 0.000 0.865 520 T HN 0.233 nan 8.240 nan 0.000 0.435 521 M N 0.224 119.325 119.600 -0.832 0.000 2.229 521 M HA 0.023 4.503 4.480 -0.000 0.000 0.264 521 M C 2.468 178.214 176.300 -0.924 0.000 1.063 521 M CA 1.137 55.753 55.300 -1.139 0.000 1.114 521 M CB -0.174 31.454 32.600 -1.620 0.000 1.387 521 M HN 0.025 nan 8.290 nan 0.000 0.420 522 R N 0.473 120.551 120.500 -0.703 0.000 2.092 522 R HA -0.046 4.294 4.340 -0.000 0.000 0.231 522 R C 2.186 178.287 176.300 -0.333 0.000 1.119 522 R CA 1.703 57.559 56.100 -0.407 0.000 0.970 522 R CB -0.774 29.214 30.300 -0.520 0.000 0.864 522 R HN 0.375 nan 8.270 nan 0.000 0.440 523 G N -0.399 108.230 108.800 -0.286 0.000 2.469 523 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 523 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 523 G C 1.057 175.946 174.900 -0.018 0.000 1.150 523 G CA 1.384 46.421 45.100 -0.104 0.000 0.763 523 G HN 0.511 nan 8.290 nan 0.000 0.561 524 H N -0.513 118.495 119.070 -0.104 0.000 2.319 524 H HA -0.109 4.446 4.556 -0.000 0.000 0.299 524 H C 2.634 177.916 175.328 -0.078 0.000 1.092 524 H CA 1.241 57.284 56.048 -0.009 0.000 1.302 524 H CB 0.045 29.834 29.762 0.046 0.000 1.373 524 H HN 0.410 nan 8.280 nan 0.000 0.497 525 Q N 1.092 120.935 119.800 0.072 0.000 2.084 525 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 525 Q C 2.312 178.369 176.000 0.094 0.000 0.978 525 Q CA 1.314 57.175 55.803 0.097 0.000 0.844 525 Q CB 0.020 28.836 28.738 0.130 0.000 0.898 525 Q HN 0.500 nan 8.270 nan 0.000 0.426 526 I N 0.351 120.911 120.570 -0.017 0.000 2.226 526 I HA -0.302 3.868 4.170 -0.000 0.000 0.245 526 I C 2.382 178.525 176.117 0.043 0.000 1.100 526 I CA 0.811 62.121 61.300 0.017 0.000 1.374 526 I CB -0.175 37.571 38.000 -0.423 0.000 1.057 526 I HN 0.327 nan 8.210 nan 0.000 0.413 527 M N -0.111 119.348 119.600 -0.236 0.000 2.132 527 M HA -0.163 4.317 4.480 -0.000 0.000 0.263 527 M C 2.385 178.415 176.300 -0.450 0.000 1.065 527 M CA 1.656 56.658 55.300 -0.496 0.000 1.122 527 M CB -1.249 30.597 32.600 -1.257 0.000 1.365 527 M HN 0.180 nan 8.290 nan 0.000 0.411 528 R N -0.120 120.177 120.500 -0.338 0.000 2.080 528 R HA -0.215 4.125 4.340 -0.000 0.000 0.236 528 R C 2.277 178.578 176.300 0.001 0.000 1.137 528 R CA 1.735 57.812 56.100 -0.037 0.000 0.943 528 R CB -0.429 29.929 30.300 0.096 0.000 0.846 528 R HN 0.297 nan 8.270 nan 0.000 0.431 529 Q N 0.216 120.039 119.800 0.039 0.000 2.124 529 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 529 Q C 1.712 177.631 176.000 -0.135 0.000 0.977 529 Q CA 2.093 57.869 55.803 -0.045 0.000 0.850 529 Q CB -0.263 28.499 28.738 0.041 0.000 0.901 529 Q HN 0.204 nan 8.270 nan 0.000 0.429 530 T N 0.397 114.970 114.554 0.033 0.000 2.746 530 T HA -0.159 4.190 4.350 -0.000 0.000 0.267 530 T C 1.552 176.237 174.700 -0.026 0.000 1.039 530 T CA 1.553 63.685 62.100 0.054 0.000 1.142 530 T CB -0.247 68.765 68.868 0.241 0.000 0.866 530 T HN 0.442 nan 8.240 nan 0.000 0.444 531 K N 1.223 121.616 120.400 -0.011 0.000 2.063 531 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 531 K C 2.455 179.040 176.600 -0.025 0.000 1.048 531 K CA 1.367 57.660 56.287 0.010 0.000 0.928 531 K CB -0.351 32.188 32.500 0.065 0.000 0.713 531 K HN 0.262 nan 8.250 nan 0.000 0.442 532 A N 1.389 124.170 122.820 -0.064 0.000 1.902 532 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 532 A C 2.158 179.650 177.584 -0.155 0.000 1.181 532 A CA 1.389 53.367 52.037 -0.098 0.000 0.623 532 A CB -0.636 18.296 19.000 -0.114 0.000 0.818 532 A HN 0.344 nan 8.150 nan 0.000 0.443 533 L N -0.743 120.331 121.223 -0.248 0.000 2.046 533 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 533 L C 2.465 179.272 176.870 -0.105 0.000 1.077 533 L CA 1.321 56.002 54.840 -0.264 0.000 0.747 533 L CB -0.491 41.317 42.059 -0.419 0.000 0.896 533 L HN 0.370 nan 8.230 nan 0.000 0.432 534 I N -0.515 120.016 120.570 -0.065 0.000 2.286 534 I HA -0.237 3.932 4.170 -0.000 0.000 0.245 534 I C 2.419 178.537 176.117 0.001 0.000 1.104 534 I CA 1.183 62.480 61.300 -0.004 0.000 1.397 534 I CB -0.192 37.815 38.000 0.011 0.000 1.072 534 I HN 0.240 nan 8.210 nan 0.000 0.417 535 E N 0.857 121.046 120.200 -0.019 0.000 2.110 535 E HA -0.205 4.145 4.350 -0.000 0.000 0.193 535 E C 2.304 178.857 176.600 -0.077 0.000 0.988 535 E CA 1.184 57.565 56.400 -0.031 0.000 0.804 535 E CB -0.171 29.521 29.700 -0.015 0.000 0.745 535 E HN 0.506 nan 8.360 nan 0.000 0.458 536 A N 0.960 123.728 122.820 -0.086 0.000 2.019 536 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 536 A C 1.910 179.412 177.584 -0.138 0.000 1.164 536 A CA 1.045 53.023 52.037 -0.099 0.000 0.644 536 A CB -0.100 18.845 19.000 -0.091 0.000 0.805 536 A HN 0.091 nan 8.150 nan 0.000 0.449 537 Q N -1.472 118.238 119.800 -0.150 0.000 2.444 537 Q HA 0.165 4.505 4.340 -0.000 0.000 0.206 537 Q C 1.182 176.957 176.000 -0.377 0.000 0.948 537 Q CA 0.807 56.484 55.803 -0.210 0.000 0.946 537 Q CB 0.176 28.831 28.738 -0.138 0.000 1.027 537 Q HN 0.987 nan 8.270 nan 0.000 0.513 538 G N -0.310 108.269 108.800 -0.369 0.000 2.163 538 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.213 538 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.213 538 G C -0.256 174.229 174.900 -0.692 0.000 0.991 538 G CA -0.218 44.570 45.100 -0.521 0.000 0.653 538 G HN 0.299 nan 8.290 nan 0.000 0.518 539 Y N 0.236 120.467 120.300 -0.115 0.000 2.568 539 Y HA 0.676 5.225 4.550 -0.000 0.000 0.327 539 Y C 0.101 175.969 175.900 -0.054 0.000 1.163 539 Y CA -1.032 56.996 58.100 -0.121 0.000 1.219 539 Y CB 1.166 39.541 38.460 -0.142 0.000 1.308 539 Y HN -0.034 nan 8.280 nan 0.000 0.503 540 D N 0.421 120.925 120.400 0.173 0.000 2.217 540 D HA 0.408 5.048 4.640 -0.000 0.000 0.243 540 D C -1.163 175.243 176.300 0.176 0.000 1.054 540 D CA -0.291 53.821 54.000 0.187 0.000 0.838 540 D CB 1.973 42.979 40.800 0.344 0.000 1.162 540 D HN 0.117 nan 8.370 nan 0.000 0.472 541 V N 3.991 123.984 119.914 0.133 0.000 2.383 541 V HA 0.199 4.318 4.120 -0.000 0.000 0.275 541 V C 1.451 177.617 176.094 0.120 0.000 1.036 541 V CA -0.366 62.001 62.300 0.112 0.000 0.889 541 V CB 1.122 33.005 31.823 0.099 0.000 0.985 541 V HN 0.533 nan 8.190 nan 0.000 0.459 542 I N 2.044 122.669 120.570 0.092 0.000 3.941 542 I HA 0.436 4.605 4.170 -0.000 0.000 0.321 542 I C 0.098 176.310 176.117 0.158 0.000 1.284 542 I CA 0.337 61.674 61.300 0.061 0.000 1.226 542 I CB 0.433 38.334 38.000 -0.166 0.000 1.045 542 I HN 0.519 nan 8.210 nan 0.000 0.420 543 Y N 0.938 121.255 120.300 0.029 0.000 2.662 543 Y HA 0.675 5.225 4.550 -0.000 0.000 0.334 543 Y C -1.059 174.964 175.900 0.205 0.000 1.185 543 Y CA -0.988 57.113 58.100 0.001 0.000 1.074 543 Y CB 1.597 39.891 38.460 -0.277 0.000 1.330 543 Y HN 0.059 nan 8.280 nan 0.000 0.458 544 G N 2.813 111.236 108.800 -0.628 0.000 2.755 544 G HA2 0.525 4.484 3.960 -0.000 0.000 0.297 544 G HA3 0.525 4.484 3.960 -0.000 0.000 0.297 544 G C -1.947 172.643 174.900 -0.517 0.000 1.441 544 G CA -0.417 44.554 45.100 -0.216 0.000 0.964 544 G HN 0.736 nan 8.290 nan 0.000 0.540 545 D N -0.721 119.593 120.400 -0.144 0.000 2.887 545 D HA 0.439 5.079 4.640 -0.000 0.000 0.221 545 D C 1.512 177.933 176.300 0.202 0.000 1.276 545 D CA 0.369 54.338 54.000 -0.052 0.000 1.078 545 D CB -0.323 40.486 40.800 0.016 0.000 1.217 545 D HN 0.193 nan 8.370 nan 0.000 0.631 546 T N -0.741 113.893 114.554 0.133 0.000 2.720 546 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 546 T C 0.358 175.086 174.700 0.046 0.000 1.037 546 T CA 2.129 64.292 62.100 0.105 0.000 1.144 546 T CB -0.440 68.425 68.868 -0.006 0.000 0.864 546 T HN 0.669 nan 8.240 nan 0.000 0.444 547 D N -1.085 119.343 120.400 0.046 0.000 2.497 547 D HA 0.179 4.819 4.640 -0.000 0.000 0.256 547 D C -0.194 176.176 176.300 0.116 0.000 1.273 547 D CA -0.252 53.792 54.000 0.072 0.000 0.812 547 D CB 0.024 40.819 40.800 -0.008 0.000 1.190 547 D HN 0.092 nan 8.370 nan 0.000 0.524 548 S N -0.398 115.356 115.700 0.089 0.000 2.513 548 S HA 0.739 5.209 4.470 -0.000 0.000 0.299 548 S C -0.668 173.944 174.600 0.020 0.000 1.087 548 S CA -0.544 57.654 58.200 -0.003 0.000 1.012 548 S CB 2.135 65.322 63.200 -0.022 0.000 1.044 548 S HN 0.080 nan 8.310 nan 0.000 0.485 549 T N 2.777 117.246 114.554 -0.141 0.000 2.824 549 T HA 0.570 4.920 4.350 -0.000 0.000 0.282 549 T C -1.208 173.348 174.700 -0.240 0.000 0.993 549 T CA -0.354 61.725 62.100 -0.035 0.000 0.967 549 T CB 0.341 69.186 68.868 -0.038 0.000 0.960 549 T HN 0.346 nan 8.240 nan 0.000 0.441 550 F N 2.111 122.008 119.950 -0.089 0.000 2.388 550 F HA 0.526 5.053 4.527 -0.000 0.000 0.358 550 F C -0.016 175.682 175.800 -0.170 0.000 1.122 550 F CA -1.140 56.754 58.000 -0.177 0.000 1.056 550 F CB 1.124 40.006 39.000 -0.197 0.000 1.155 550 F HN 0.167 nan 8.300 nan 0.000 0.461 551 V N 3.258 123.115 119.914 -0.096 0.000 2.357 551 V HA 0.173 4.292 4.120 -0.000 0.000 0.284 551 V C -0.789 175.280 176.094 -0.042 0.000 1.018 551 V CA -0.937 61.324 62.300 -0.066 0.000 0.841 551 V CB 1.095 32.839 31.823 -0.133 0.000 0.991 551 V HN 0.721 nan 8.190 nan 0.000 0.437 552 W N 5.905 127.086 121.300 -0.198 0.000 2.311 552 W HA 0.430 5.090 4.660 -0.000 0.000 0.310 552 W C 0.599 177.091 176.519 -0.045 0.000 1.274 552 W CA -1.266 55.977 57.345 -0.171 0.000 1.215 552 W CB 0.841 30.201 29.460 -0.168 0.000 1.227 552 W HN 0.522 nan 8.180 nan 0.000 0.523 553 L N 7.496 128.607 121.223 -0.186 0.000 2.645 553 L HA -0.032 4.308 4.340 -0.000 0.000 0.235 553 L C 1.187 177.797 176.870 -0.433 0.000 1.150 553 L CA 0.207 54.846 54.840 -0.334 0.000 0.911 553 L CB -0.617 41.141 42.059 -0.502 0.000 1.077 553 L HN 0.513 nan 8.230 nan 0.000 0.438 554 K N -0.154 119.387 120.400 -1.431 0.000 3.274 554 K HA -0.179 4.140 4.320 -0.000 0.000 0.300 554 K C 0.435 176.609 176.600 -0.711 0.000 1.230 554 K CA 0.703 55.951 56.287 -1.731 0.000 0.884 554 K CB -1.916 30.104 32.500 -0.799 0.000 1.242 554 K HN 0.631 nan 8.250 nan 0.000 0.467 555 G N -1.124 107.538 108.800 -0.230 0.000 2.328 555 G HA2 0.450 4.410 3.960 -0.000 0.000 0.299 555 G HA3 0.450 4.410 3.960 -0.000 0.000 0.299 555 G C -1.486 173.585 174.900 0.285 0.000 1.435 555 G CA -0.368 44.818 45.100 0.144 0.000 0.865 555 G HN 0.454 nan 8.290 nan 0.000 0.601 556 A N 0.794 123.737 122.820 0.206 0.000 2.492 556 A HA 0.611 4.931 4.320 -0.000 0.000 0.254 556 A C 0.145 177.791 177.584 0.104 0.000 1.091 556 A CA 0.231 52.388 52.037 0.200 0.000 0.768 556 A CB -0.172 18.909 19.000 0.134 0.000 1.028 556 A HN 0.709 nan 8.150 nan 0.000 0.498 557 H N 1.325 120.439 119.070 0.075 0.000 2.679 557 H HA 0.382 4.938 4.556 -0.000 0.000 0.367 557 H C 0.484 175.820 175.328 0.013 0.000 1.162 557 H CA -0.067 55.978 56.048 -0.005 0.000 1.181 557 H CB 2.098 31.794 29.762 -0.110 0.000 1.693 557 H HN 0.873 nan 8.280 nan 0.000 0.538 558 S N 1.273 117.030 115.700 0.096 0.000 2.576 558 S HA -0.033 4.436 4.470 -0.000 0.000 0.272 558 S C 1.141 175.772 174.600 0.051 0.000 1.352 558 S CA -0.480 57.763 58.200 0.072 0.000 1.021 558 S CB 1.020 64.240 63.200 0.034 0.000 0.887 558 S HN 0.628 nan 8.310 nan 0.000 0.542 559 E N 1.047 121.296 120.200 0.082 0.000 2.106 559 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 559 E C 1.912 178.517 176.600 0.009 0.000 0.984 559 E CA 1.425 57.878 56.400 0.088 0.000 0.806 559 E CB -0.414 29.359 29.700 0.122 0.000 0.750 559 E HN 0.955 nan 8.360 nan 0.000 0.458 560 E N 0.835 121.039 120.200 0.006 0.000 2.077 560 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 560 E C 1.858 178.428 176.600 -0.049 0.000 0.989 560 E CA 1.142 57.533 56.400 -0.014 0.000 0.800 560 E CB 0.133 29.830 29.700 -0.005 0.000 0.746 560 E HN -0.037 nan 8.360 nan 0.000 0.452 561 E N 0.434 120.607 120.200 -0.044 0.000 2.047 561 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 561 E C 1.797 178.299 176.600 -0.164 0.000 0.987 561 E CA 1.331 57.699 56.400 -0.053 0.000 0.799 561 E CB -0.454 29.273 29.700 0.046 0.000 0.752 561 E HN 0.376 nan 8.360 nan 0.000 0.449 562 A N 0.832 123.504 122.820 -0.246 0.000 1.892 562 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 562 A C 2.416 179.751 177.584 -0.416 0.000 1.188 562 A CA 2.544 54.293 52.037 -0.480 0.000 0.631 562 A CB -1.050 17.395 19.000 -0.925 0.000 0.822 562 A HN 0.327 nan 8.150 nan 0.000 0.447 563 A N -0.454 122.218 122.820 -0.246 0.000 1.933 563 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 563 A C 2.097 179.475 177.584 -0.343 0.000 1.175 563 A CA 1.820 53.725 52.037 -0.219 0.000 0.628 563 A CB -0.437 18.572 19.000 0.015 0.000 0.814 563 A HN 0.573 nan 8.150 nan 0.000 0.444 564 K N -0.388 119.873 120.400 -0.232 0.000 2.032 564 K HA -0.120 4.199 4.320 -0.000 0.000 0.209 564 K C 1.784 178.221 176.600 -0.271 0.000 1.048 564 K CA 1.728 57.895 56.287 -0.199 0.000 0.927 564 K CB -0.440 31.985 32.500 -0.126 0.000 0.712 564 K HN 0.538 nan 8.250 nan 0.000 0.441 565 I N 0.675 121.046 120.570 -0.332 0.000 2.179 565 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 565 I C 2.549 178.365 176.117 -0.501 0.000 1.088 565 I CA 1.471 62.540 61.300 -0.385 0.000 1.357 565 I CB -0.741 36.964 38.000 -0.493 0.000 1.051 565 I HN 0.309 nan 8.210 nan 0.000 0.409 566 G N 0.734 109.075 108.800 -0.766 0.000 2.446 566 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.217 566 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.217 566 G C 1.814 176.297 174.900 -0.695 0.000 1.168 566 G CA 0.610 45.066 45.100 -1.073 0.000 0.771 566 G HN 0.290 nan 8.290 nan 0.000 0.551 567 R N 0.459 120.612 120.500 -0.579 0.000 2.081 567 R HA 0.024 4.364 4.340 -0.000 0.000 0.235 567 R C 3.016 179.224 176.300 -0.153 0.000 1.131 567 R CA 1.143 57.096 56.100 -0.245 0.000 0.960 567 R CB -0.369 29.840 30.300 -0.153 0.000 0.856 567 R HN 0.370 nan 8.270 nan 0.000 0.436 568 A N 1.200 123.919 122.820 -0.169 0.000 1.898 568 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 568 A C 2.185 179.733 177.584 -0.059 0.000 1.181 568 A CA 0.949 52.930 52.037 -0.092 0.000 0.620 568 A CB -0.452 18.489 19.000 -0.098 0.000 0.819 568 A HN 0.156 nan 8.150 nan 0.000 0.442 569 L N 0.099 121.250 121.223 -0.119 0.000 2.046 569 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 569 L C 2.733 179.598 176.870 -0.009 0.000 1.077 569 L CA 1.682 56.484 54.840 -0.064 0.000 0.747 569 L CB -0.629 41.347 42.059 -0.139 0.000 0.896 569 L HN 0.478 nan 8.230 nan 0.000 0.432 570 V N -3.163 116.720 119.914 -0.053 0.000 2.427 570 V HA -0.236 3.883 4.120 -0.000 0.000 0.248 570 V C 2.355 178.473 176.094 0.040 0.000 1.051 570 V CA 1.475 63.766 62.300 -0.016 0.000 1.048 570 V CB -0.712 31.094 31.823 -0.029 0.000 0.666 570 V HN 0.484 nan 8.190 nan 0.000 0.456 571 Q N 0.446 120.269 119.800 0.040 0.000 2.124 571 Q HA -0.298 4.042 4.340 -0.000 0.000 0.202 571 Q C 2.292 178.354 176.000 0.102 0.000 0.977 571 Q CA 2.616 58.457 55.803 0.065 0.000 0.850 571 Q CB -0.493 28.273 28.738 0.046 0.000 0.901 571 Q HN 0.919 nan 8.270 nan 0.000 0.429 572 H N -0.099 118.982 119.070 0.018 0.000 2.321 572 H HA -0.068 4.488 4.556 -0.000 0.000 0.300 572 H C 2.020 177.392 175.328 0.073 0.000 1.087 572 H CA 2.112 58.180 56.048 0.034 0.000 1.319 572 H CB -0.195 29.564 29.762 -0.005 0.000 1.379 572 H HN 0.039 nan 8.280 nan 0.000 0.501 573 V N 0.975 120.905 119.914 0.028 0.000 2.343 573 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 573 V C 2.109 178.312 176.094 0.181 0.000 1.051 573 V CA 2.027 64.334 62.300 0.012 0.000 1.036 573 V CB -0.487 31.391 31.823 0.092 0.000 0.654 573 V HN 0.538 nan 8.190 nan 0.000 0.451 574 N N 0.479 119.302 118.700 0.204 0.000 2.188 574 N HA -0.085 4.655 4.740 -0.000 0.000 0.184 574 N C 1.861 177.496 175.510 0.209 0.000 1.018 574 N CA 1.605 54.821 53.050 0.275 0.000 0.858 574 N CB -0.501 38.097 38.487 0.184 0.000 0.989 574 N HN 0.487 nan 8.380 nan 0.000 0.426 575 A N -0.237 122.647 122.820 0.105 0.000 1.898 575 A HA -0.136 4.184 4.320 -0.000 0.000 0.216 575 A C 2.186 179.785 177.584 0.025 0.000 1.181 575 A CA 1.055 53.122 52.037 0.050 0.000 0.620 575 A CB -1.112 17.900 19.000 0.021 0.000 0.819 575 A HN 0.499 nan 8.150 nan 0.000 0.442 576 W N -0.627 120.534 121.300 -0.231 0.000 2.335 576 W HA -0.209 4.451 4.660 -0.000 0.000 0.311 576 W C 1.979 178.368 176.519 -0.217 0.000 1.213 576 W CA 1.912 59.066 57.345 -0.319 0.000 1.274 576 W CB -0.385 28.750 29.460 -0.542 0.000 1.148 576 W HN 0.470 nan 8.180 nan 0.000 0.498 577 W N 0.005 121.482 121.300 0.296 0.000 2.355 577 W HA -0.193 4.467 4.660 -0.000 0.000 0.309 577 W C 2.656 179.137 176.519 -0.063 0.000 1.206 577 W CA 1.835 59.275 57.345 0.158 0.000 1.284 577 W CB -1.074 28.521 29.460 0.224 0.000 1.145 577 W HN -0.058 nan 8.180 nan 0.000 0.502 578 A N 0.464 123.388 122.820 0.174 0.000 1.883 578 A HA -0.243 4.076 4.320 -0.000 0.000 0.217 578 A C 1.878 179.423 177.584 -0.065 0.000 1.186 578 A CA 1.943 54.003 52.037 0.037 0.000 0.624 578 A CB -0.749 18.266 19.000 0.025 0.000 0.822 578 A HN 0.272 nan 8.150 nan 0.000 0.444 579 E N -0.732 119.382 120.200 -0.142 0.000 2.072 579 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 579 E C 2.179 178.610 176.600 -0.283 0.000 0.985 579 E CA 1.633 57.910 56.400 -0.206 0.000 0.801 579 E CB -0.702 28.853 29.700 -0.242 0.000 0.750 579 E HN 0.594 nan 8.360 nan 0.000 0.452 580 T N 2.191 116.463 114.554 -0.469 0.000 2.708 580 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 580 T C 2.101 176.674 174.700 -0.212 0.000 1.037 580 T CA 0.874 62.661 62.100 -0.522 0.000 1.146 580 T CB -0.210 68.008 68.868 -1.083 0.000 0.865 580 T HN 0.082 nan 8.240 nan 0.000 0.435 581 L N 0.957 122.128 121.223 -0.086 0.000 2.217 581 L HA -0.047 4.293 4.340 -0.000 0.000 0.211 581 L C 2.853 179.678 176.870 -0.075 0.000 1.107 581 L CA 0.968 55.789 54.840 -0.031 0.000 0.783 581 L CB -0.580 41.455 42.059 -0.041 0.000 0.919 581 L HN 0.350 nan 8.230 nan 0.000 0.442 582 Q N 1.072 120.817 119.800 -0.092 0.000 2.181 582 Q HA -0.235 4.105 4.340 -0.000 0.000 0.205 582 Q C 1.952 177.909 176.000 -0.071 0.000 0.980 582 Q CA 1.458 57.211 55.803 -0.082 0.000 0.862 582 Q CB 0.092 28.779 28.738 -0.085 0.000 0.905 582 Q HN 0.447 nan 8.270 nan 0.000 0.429 583 K N -0.029 120.322 120.400 -0.081 0.000 2.211 583 K HA -0.177 4.143 4.320 -0.000 0.000 0.204 583 K C 1.396 177.976 176.600 -0.034 0.000 1.047 583 K CA 1.349 57.598 56.287 -0.062 0.000 0.935 583 K CB 0.039 32.492 32.500 -0.078 0.000 0.728 583 K HN 0.390 nan 8.250 nan 0.000 0.452 584 Q N 0.109 119.893 119.800 -0.026 0.000 2.204 584 Q HA 0.184 4.523 4.340 -0.000 0.000 0.209 584 Q C -0.667 175.326 176.000 -0.011 0.000 0.861 584 Q CA -0.205 55.598 55.803 0.001 0.000 0.971 584 Q CB 0.655 29.409 28.738 0.027 0.000 1.095 584 Q HN 0.149 nan 8.270 nan 0.000 0.486 585 R N 0.219 120.700 120.500 -0.032 0.000 3.627 585 R HA -0.195 4.144 4.340 -0.000 0.000 0.281 585 R C -0.666 175.601 176.300 -0.055 0.000 1.140 585 R CA 0.502 56.579 56.100 -0.039 0.000 0.761 585 R CB -2.205 28.080 30.300 -0.025 0.000 1.181 585 R HN 0.280 nan 8.270 nan 0.000 0.472 586 L N -0.293 120.879 121.223 -0.086 0.000 2.334 586 L HA 0.453 4.793 4.340 -0.000 0.000 0.272 586 L C 0.631 177.404 176.870 -0.162 0.000 1.020 586 L CA -0.731 54.019 54.840 -0.151 0.000 0.812 586 L CB 2.076 43.987 42.059 -0.246 0.000 1.264 586 L HN -0.106 nan 8.230 nan 0.000 0.439 587 T N 0.652 115.092 114.554 -0.191 0.000 2.772 587 T HA 0.147 4.496 4.350 -0.000 0.000 0.288 587 T C -0.044 174.526 174.700 -0.217 0.000 0.994 587 T CA -0.247 61.754 62.100 -0.165 0.000 0.951 587 T CB 1.277 70.064 68.868 -0.135 0.000 0.933 587 T HN 0.519 nan 8.240 nan 0.000 0.447 588 S N 2.184 117.782 115.700 -0.170 0.000 2.516 588 S HA 0.380 4.850 4.470 -0.000 0.000 0.282 588 S C 1.092 175.587 174.600 -0.175 0.000 1.286 588 S CA -0.453 57.641 58.200 -0.177 0.000 1.066 588 S CB 0.159 63.343 63.200 -0.027 0.000 0.884 588 S HN 0.824 nan 8.310 nan 0.000 0.491 589 A N 5.644 128.317 122.820 -0.246 0.000 2.390 589 A HA 0.380 4.700 4.320 -0.000 0.000 0.232 589 A C 0.516 177.992 177.584 -0.181 0.000 1.233 589 A CA -0.344 51.521 52.037 -0.287 0.000 0.907 589 A CB -0.087 18.627 19.000 -0.476 0.000 0.967 589 A HN 0.769 nan 8.150 nan 0.000 0.512 590 L N 0.821 121.974 121.223 -0.116 0.000 2.490 590 L HA 0.187 4.527 4.340 -0.000 0.000 0.274 590 L C 0.451 177.432 176.870 0.185 0.000 1.201 590 L CA 0.352 55.182 54.840 -0.017 0.000 0.869 590 L CB 0.309 42.221 42.059 -0.245 0.000 1.123 590 L HN 0.440 nan 8.230 nan 0.000 0.484 591 E N 3.735 124.140 120.200 0.342 0.000 2.642 591 E HA 0.226 4.576 4.350 -0.000 0.000 0.284 591 E C -1.335 175.404 176.600 0.232 0.000 1.039 591 E CA -0.800 55.774 56.400 0.291 0.000 0.777 591 E CB 1.190 31.067 29.700 0.295 0.000 1.473 591 E HN 0.394 nan 8.360 nan 0.000 0.388 592 L N 3.228 124.482 121.223 0.053 0.000 2.453 592 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 592 L C -0.457 176.332 176.870 -0.134 0.000 1.182 592 L CA 0.803 55.423 54.840 -0.366 0.000 0.858 592 L CB 0.686 42.480 42.059 -0.442 0.000 1.120 592 L HN 0.505 nan 8.230 nan 0.000 0.474 593 E N 3.361 123.473 120.200 -0.148 0.000 2.227 593 E HA 0.153 4.503 4.350 -0.000 0.000 0.268 593 E C -1.664 174.913 176.600 -0.039 0.000 0.907 593 E CA -0.902 55.464 56.400 -0.055 0.000 0.786 593 E CB 1.882 31.552 29.700 -0.049 0.000 1.191 593 E HN 0.494 nan 8.360 nan 0.000 0.411 594 Y N 2.137 122.357 120.300 -0.133 0.000 2.436 594 Y HA 0.065 4.614 4.550 -0.000 0.000 0.343 594 Y C 0.810 176.620 175.900 -0.151 0.000 1.008 594 Y CA 0.301 58.309 58.100 -0.155 0.000 1.241 594 Y CB 0.713 39.091 38.460 -0.137 0.000 1.153 594 Y HN 0.678 nan 8.280 nan 0.000 0.521 595 E N 2.668 122.588 120.200 -0.467 0.000 2.162 595 E HA 0.154 4.504 4.350 -0.000 0.000 0.193 595 E C -0.514 175.698 176.600 -0.647 0.000 0.953 595 E CA 0.706 56.816 56.400 -0.484 0.000 0.849 595 E CB 0.554 30.075 29.700 -0.299 0.000 0.810 595 E HN 0.706 nan 8.360 nan 0.000 0.470 596 T N -1.019 113.103 114.554 -0.719 0.000 2.957 596 T HA 0.135 4.485 4.350 -0.000 0.000 0.336 596 T C -1.659 172.787 174.700 -0.423 0.000 1.462 596 T CA -0.715 60.994 62.100 -0.652 0.000 1.073 596 T CB 1.432 69.829 68.868 -0.785 0.000 1.319 596 T HN 0.206 nan 8.240 nan 0.000 0.485 597 H N 2.259 121.090 119.070 -0.398 0.000 2.595 597 H HA 0.517 5.073 4.556 -0.000 0.000 0.313 597 H C -1.393 173.790 175.328 -0.242 0.000 1.023 597 H CA -0.792 55.150 56.048 -0.177 0.000 1.218 597 H CB 0.334 30.093 29.762 -0.005 0.000 1.403 597 H HN 0.380 nan 8.280 nan 0.000 0.477 598 F N 4.828 124.624 119.950 -0.256 0.000 2.411 598 F HA 0.094 4.621 4.527 -0.000 0.000 0.355 598 F C 1.777 177.283 175.800 -0.490 0.000 1.117 598 F CA -0.724 57.096 58.000 -0.300 0.000 1.139 598 F CB 0.826 39.820 39.000 -0.010 0.000 1.120 598 F HN 0.672 nan 8.300 nan 0.000 0.493 599 C N 1.315 120.387 119.300 -0.381 0.000 2.448 599 C HA 0.229 4.689 4.460 -0.000 0.000 0.280 599 C C 0.916 175.881 174.990 -0.041 0.000 1.398 599 C CA -0.018 58.861 59.018 -0.232 0.000 1.774 599 C CB -0.613 27.048 27.740 -0.132 0.000 1.888 599 C HN 0.605 nan 8.230 nan 0.000 0.519 600 R N -0.084 120.339 120.500 -0.128 0.000 2.574 600 R HA 0.631 4.971 4.340 -0.000 0.000 0.288 600 R C -1.995 174.069 176.300 -0.394 0.000 1.004 600 R CA -0.397 55.541 56.100 -0.270 0.000 0.895 600 R CB 1.925 31.920 30.300 -0.507 0.000 1.191 600 R HN 0.478 nan 8.270 nan 0.000 0.444 601 F N 3.282 123.002 119.950 -0.383 0.000 2.573 601 F HA 0.370 4.897 4.527 -0.000 0.000 0.316 601 F C -1.517 174.208 175.800 -0.125 0.000 1.148 601 F CA -1.040 56.760 58.000 -0.333 0.000 0.940 601 F CB 1.353 40.233 39.000 -0.200 0.000 1.214 601 F HN 0.308 nan 8.300 nan 0.000 0.448 602 L N 7.536 128.457 121.223 -0.503 0.000 2.276 602 L HA 0.582 4.921 4.340 -0.000 0.000 0.286 602 L C -1.065 175.442 176.870 -0.605 0.000 1.024 602 L CA -0.623 54.010 54.840 -0.345 0.000 0.826 602 L CB 1.143 43.123 42.059 -0.131 0.000 1.211 602 L HN 0.727 nan 8.230 nan 0.000 0.422 603 M N 8.858 128.238 119.600 -0.367 0.000 2.069 603 M HA 0.569 5.049 4.480 -0.000 0.000 0.349 603 M C -2.431 173.685 176.300 -0.306 0.000 1.194 603 M CA -2.006 53.128 55.300 -0.278 0.000 1.081 603 M CB 0.842 33.442 32.600 -0.001 0.000 1.500 603 M HN 0.352 nan 8.290 nan 0.000 0.438 604 P HA 0.251 nan 4.420 nan 0.000 0.275 604 P C -0.941 176.302 177.300 -0.095 0.000 1.266 604 P CA -0.412 62.631 63.100 -0.095 0.000 0.793 604 P CB 0.375 32.020 31.700 -0.091 0.000 1.074 605 T N 1.369 115.922 114.554 -0.003 0.000 2.752 605 T HA 0.384 4.734 4.350 -0.000 0.000 0.295 605 T C 0.244 174.902 174.700 -0.070 0.000 0.923 605 T CA 0.128 62.221 62.100 -0.013 0.000 1.112 605 T CB -0.728 68.163 68.868 0.037 0.000 0.884 605 T HN 0.150 nan 8.240 nan 0.000 0.525 606 I N 2.136 122.646 120.570 -0.100 0.000 2.509 606 I HA 0.755 4.925 4.170 -0.000 0.000 0.293 606 I C 0.387 176.496 176.117 -0.013 0.000 1.020 606 I CA -1.220 60.023 61.300 -0.095 0.000 1.088 606 I CB 1.746 39.602 38.000 -0.239 0.000 1.267 606 I HN 0.585 nan 8.210 nan 0.000 0.430 607 R N 2.557 123.057 120.500 0.000 0.000 2.575 607 R HA 0.610 4.949 4.340 -0.000 0.000 0.293 607 R C 0.648 176.951 176.300 0.004 0.000 0.983 607 R CA -0.171 55.933 56.100 0.007 0.000 0.887 607 R CB 1.032 31.331 30.300 -0.000 0.000 1.184 607 R HN 0.936 nan 8.270 nan 0.000 0.445 608 G N 0.365 109.157 108.800 -0.014 0.000 2.535 608 G HA2 0.076 4.036 3.960 -0.000 0.000 0.218 608 G HA3 0.076 4.036 3.960 -0.000 0.000 0.218 608 G C 1.715 176.604 174.900 -0.019 0.000 1.122 608 G CA 1.475 46.555 45.100 -0.034 0.000 0.769 608 G HN 1.390 nan 8.290 nan 0.000 0.549 609 A N -0.511 122.303 122.820 -0.011 0.000 1.958 609 A HA 0.026 4.346 4.320 -0.000 0.000 0.221 609 A C 0.963 178.547 177.584 0.000 0.000 1.178 609 A CA 1.830 53.865 52.037 -0.004 0.000 0.642 609 A CB -0.060 18.938 19.000 -0.002 0.000 0.816 609 A HN 0.337 nan 8.150 nan 0.000 0.453 610 D N -4.654 115.747 120.400 0.002 0.000 2.648 610 D HA 0.313 4.953 4.640 -0.000 0.000 0.244 610 D C -0.275 176.030 176.300 0.007 0.000 1.244 610 D CA 0.416 54.419 54.000 0.005 0.000 0.772 610 D CB 1.108 41.910 40.800 0.003 0.000 1.379 610 D HN 0.010 nan 8.370 nan 0.000 0.428 611 T N -1.478 113.082 114.554 0.010 0.000 3.327 611 T HA 0.394 4.744 4.350 -0.000 0.000 0.241 611 T C 1.162 175.864 174.700 0.003 0.000 0.907 611 T CA -0.006 62.102 62.100 0.013 0.000 0.931 611 T CB -0.299 68.582 68.868 0.022 0.000 1.112 611 T HN 0.352 nan 8.240 nan 0.000 0.589 612 G N 0.969 109.765 108.800 -0.006 0.000 2.744 612 G HA2 0.319 4.279 3.960 -0.000 0.000 0.211 612 G HA3 0.319 4.279 3.960 -0.000 0.000 0.211 612 G C 0.431 175.315 174.900 -0.027 0.000 1.146 612 G CA 0.173 45.263 45.100 -0.016 0.000 0.787 612 G HN 0.841 nan 8.290 nan 0.000 0.534 613 S N -0.760 114.927 115.700 -0.022 0.000 2.546 613 S HA 0.684 5.154 4.470 -0.000 0.000 0.272 613 S C -0.494 174.100 174.600 -0.010 0.000 1.140 613 S CA -0.877 57.302 58.200 -0.034 0.000 0.920 613 S CB 2.703 65.872 63.200 -0.051 0.000 1.083 613 S HN 0.210 nan 8.310 nan 0.000 0.476 614 K N 1.836 122.232 120.400 -0.006 0.000 2.522 614 K HA 0.473 4.793 4.320 -0.000 0.000 0.258 614 K C -0.763 175.878 176.600 0.068 0.000 0.981 614 K CA -1.162 55.151 56.287 0.043 0.000 1.491 614 K CB -0.075 32.448 32.500 0.039 0.000 2.722 614 K HN 0.602 nan 8.250 nan 0.000 0.934 615 K N 2.240 122.718 120.400 0.130 0.000 2.453 615 K HA 0.055 4.374 4.320 -0.000 0.000 0.280 615 K C -0.455 176.161 176.600 0.026 0.000 1.045 615 K CA 0.455 56.867 56.287 0.208 0.000 1.059 615 K CB 0.037 32.736 32.500 0.332 0.000 0.901 615 K HN 0.295 nan 8.250 nan 0.000 0.475 616 R N 3.276 123.746 120.500 -0.050 0.000 2.532 616 R HA 0.434 4.774 4.340 -0.000 0.000 0.297 616 R C -1.063 175.174 176.300 -0.105 0.000 0.984 616 R CA -1.081 54.927 56.100 -0.154 0.000 0.884 616 R CB 1.255 31.456 30.300 -0.164 0.000 1.182 616 R HN 0.811 nan 8.270 nan 0.000 0.442 617 Y N -1.388 118.746 120.300 -0.276 0.000 2.889 617 Y HA 0.636 5.186 4.550 -0.000 0.000 0.379 617 Y C -2.232 173.414 175.900 -0.424 0.000 1.179 617 Y CA -1.354 56.472 58.100 -0.458 0.000 1.178 617 Y CB 0.693 38.791 38.460 -0.604 0.000 1.460 617 Y HN 0.737 nan 8.280 nan 0.000 0.472 618 A N 0.798 123.372 122.820 -0.410 0.000 2.515 618 A HA 1.008 5.328 4.320 -0.000 0.000 0.298 618 A C -0.561 176.700 177.584 -0.538 0.000 1.059 618 A CA -0.386 51.370 52.037 -0.469 0.000 0.698 618 A CB 1.495 20.303 19.000 -0.321 0.000 1.289 618 A HN 2.116 nan 8.150 nan 0.000 0.404 619 G N -0.717 107.748 108.800 -0.558 0.000 2.623 619 G HA2 0.632 4.592 3.960 -0.000 0.000 0.290 619 G HA3 0.632 4.592 3.960 -0.000 0.000 0.290 619 G C -2.241 172.471 174.900 -0.313 0.000 1.437 619 G CA -0.524 44.132 45.100 -0.740 0.000 0.798 619 G HN 1.368 nan 8.290 nan 0.000 0.488 620 L N 0.454 121.487 121.223 -0.317 0.000 2.333 620 L HA 0.756 5.096 4.340 -0.000 0.000 0.280 620 L C -0.622 176.304 176.870 0.093 0.000 1.004 620 L CA -0.786 54.017 54.840 -0.062 0.000 0.820 620 L CB 1.372 43.300 42.059 -0.217 0.000 1.247 620 L HN 0.444 nan 8.230 nan 0.000 0.416 621 I N 3.895 124.520 120.570 0.091 0.000 2.377 621 I HA 0.359 4.529 4.170 -0.000 0.000 0.293 621 I C -0.512 175.587 176.117 -0.030 0.000 0.987 621 I CA -0.760 60.522 61.300 -0.031 0.000 1.185 621 I CB 1.764 39.721 38.000 -0.072 0.000 1.341 621 I HN 0.585 nan 8.210 nan 0.000 0.455 622 Q N 6.201 125.967 119.800 -0.057 0.000 2.360 622 Q HA 0.258 4.598 4.340 -0.000 0.000 0.254 622 Q C -1.175 174.821 176.000 -0.007 0.000 0.975 622 Q CA -0.116 55.680 55.803 -0.013 0.000 0.912 622 Q CB 0.799 29.539 28.738 0.004 0.000 1.212 622 Q HN 0.491 nan 8.270 nan 0.000 0.452 623 E N 3.629 123.830 120.200 0.001 0.000 2.149 623 E HA 0.493 4.843 4.350 -0.000 0.000 0.255 623 E C 0.281 176.889 176.600 0.012 0.000 0.888 623 E CA -0.258 56.143 56.400 0.001 0.000 0.742 623 E CB 0.992 30.689 29.700 -0.006 0.000 1.164 623 E HN 0.942 nan 8.360 nan 0.000 0.422 624 G N 4.429 113.239 108.800 0.017 0.000 2.583 624 G HA2 -0.386 3.574 3.960 -0.000 0.000 0.292 624 G HA3 -0.386 3.574 3.960 -0.000 0.000 0.292 624 G C 0.514 175.428 174.900 0.023 0.000 1.203 624 G CA 0.430 45.541 45.100 0.019 0.000 0.987 624 G HN 0.724 nan 8.290 nan 0.000 0.554 625 D N 1.248 121.661 120.400 0.023 0.000 2.339 625 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 625 D C 0.871 177.187 176.300 0.028 0.000 1.050 625 D CA 0.717 54.732 54.000 0.025 0.000 0.856 625 D CB 0.177 40.991 40.800 0.023 0.000 0.922 625 D HN 0.608 nan 8.370 nan 0.000 0.518 626 K N -0.201 120.215 120.400 0.027 0.000 2.258 626 K HA 0.500 4.820 4.320 -0.000 0.000 0.236 626 K C -0.275 176.345 176.600 0.032 0.000 1.008 626 K CA -0.693 55.613 56.287 0.031 0.000 0.869 626 K CB 1.829 34.346 32.500 0.029 0.000 1.171 626 K HN -0.100 nan 8.250 nan 0.000 0.447 627 Q N 0.703 120.529 119.800 0.042 0.000 2.389 627 Q HA 0.423 4.762 4.340 -0.000 0.000 0.277 627 Q C -1.406 174.632 176.000 0.064 0.000 1.082 627 Q CA -0.868 54.965 55.803 0.050 0.000 0.810 627 Q CB 3.075 31.850 28.738 0.062 0.000 1.374 627 Q HN 0.347 nan 8.270 nan 0.000 0.422 628 R N 2.122 122.664 120.500 0.071 0.000 2.575 628 R HA 0.542 4.881 4.340 -0.000 0.000 0.293 628 R C -1.284 175.091 176.300 0.125 0.000 0.983 628 R CA -0.317 55.837 56.100 0.090 0.000 0.887 628 R CB 1.403 31.743 30.300 0.066 0.000 1.184 628 R HN 0.615 nan 8.270 nan 0.000 0.445 629 M N 3.350 123.044 119.600 0.156 0.000 2.409 629 M HA 0.425 4.904 4.480 -0.000 0.000 0.329 629 M C -0.854 175.518 176.300 0.119 0.000 1.180 629 M CA -0.934 54.455 55.300 0.149 0.000 1.053 629 M CB 2.079 34.809 32.600 0.217 0.000 1.586 629 M HN 0.311 nan 8.290 nan 0.000 0.461 630 V N 2.414 122.319 119.914 -0.015 0.000 2.735 630 V HA 0.558 4.678 4.120 -0.000 0.000 0.310 630 V C -1.341 174.549 176.094 -0.340 0.000 1.061 630 V CA -0.594 61.718 62.300 0.019 0.000 0.913 630 V CB 2.130 34.113 31.823 0.267 0.000 1.005 630 V HN 0.618 nan 8.190 nan 0.000 0.428 631 F N 3.651 123.544 119.950 -0.095 0.000 2.536 631 F HA 0.618 5.145 4.527 -0.000 0.000 0.322 631 F C 0.108 175.706 175.800 -0.336 0.000 1.144 631 F CA -0.721 57.144 58.000 -0.225 0.000 0.924 631 F CB 2.031 40.915 39.000 -0.193 0.000 1.181 631 F HN 0.171 nan 8.300 nan 0.000 0.438 632 K N 2.007 122.160 120.400 -0.412 0.000 2.345 632 K HA 0.826 5.145 4.320 -0.000 0.000 0.255 632 K C 0.333 176.722 176.600 -0.352 0.000 0.934 632 K CA -0.432 55.578 56.287 -0.461 0.000 0.801 632 K CB 2.021 34.018 32.500 -0.838 0.000 1.137 632 K HN 0.830 nan 8.250 nan 0.000 0.424 633 G N 1.173 109.825 108.800 -0.247 0.000 4.444 633 G HA2 0.095 4.055 3.960 -0.000 0.000 0.158 633 G HA3 0.095 4.055 3.960 -0.000 0.000 0.158 633 G C -0.529 174.244 174.900 -0.211 0.000 1.789 633 G CA 0.445 45.417 45.100 -0.215 0.000 0.886 633 G HN 0.470 nan 8.290 nan 0.000 0.284 634 L N -2.166 118.889 121.223 -0.279 0.000 2.222 634 L HA 0.316 4.655 4.340 -0.000 0.000 0.319 634 L C 0.350 176.943 176.870 -0.461 0.000 0.588 634 L CA 0.563 55.231 54.840 -0.286 0.000 1.188 634 L CB -0.638 41.283 42.059 -0.229 0.000 1.709 634 L HN 0.110 nan 8.230 nan 0.000 0.333 635 E N 0.640 120.527 120.200 -0.522 0.000 2.285 635 E HA 0.130 4.480 4.350 -0.000 0.000 0.194 635 E C 0.169 175.786 176.600 -1.638 0.000 0.997 635 E CA 1.251 57.089 56.400 -0.937 0.000 0.845 635 E CB -0.123 29.300 29.700 -0.460 0.000 0.782 635 E HN 0.850 nan 8.360 nan 0.000 0.491 640 D N 0.489 120.878 120.400 -0.019 0.000 2.937 640 D HA 0.522 5.162 4.640 -0.000 0.000 0.215 640 D C -1.984 174.384 176.300 0.114 0.000 1.274 640 D CA -0.073 53.900 54.000 -0.044 0.000 0.869 640 D CB 1.450 42.110 40.800 -0.234 0.000 1.675 640 D HN 0.599 nan 8.370 nan 0.000 0.538 641 W N 4.658 125.892 121.300 -0.109 0.000 3.042 641 W HA 0.426 5.086 4.660 -0.000 0.000 0.337 641 W C -1.156 175.367 176.519 0.006 0.000 1.086 641 W CA -0.667 56.640 57.345 -0.063 0.000 1.236 641 W CB 1.783 31.199 29.460 -0.073 0.000 1.381 641 W HN 0.462 nan 8.180 nan 0.000 0.472 642 T N 1.928 116.293 114.554 -0.316 0.000 2.948 642 T HA 0.464 4.814 4.350 -0.000 0.000 0.285 642 T C -2.154 172.312 174.700 -0.390 0.000 1.019 642 T CA -1.696 60.297 62.100 -0.179 0.000 1.013 642 T CB 2.273 71.153 68.868 0.021 0.000 1.117 642 T HN 0.176 nan 8.240 nan 0.000 0.533 643 P HA 0.003 nan 4.420 nan 0.000 0.220 643 P C 1.634 178.819 177.300 -0.190 0.000 1.148 643 P CA 0.182 63.191 63.100 -0.151 0.000 0.803 643 P CB -0.039 31.630 31.700 -0.051 0.000 0.782 644 L N -0.037 121.075 121.223 -0.186 0.000 1.970 644 L HA -0.179 4.161 4.340 -0.000 0.000 0.212 644 L C 2.264 178.995 176.870 -0.232 0.000 1.071 644 L CA 2.367 57.106 54.840 -0.167 0.000 0.751 644 L CB -1.425 40.550 42.059 -0.139 0.000 0.889 644 L HN -0.092 nan 8.230 nan 0.000 0.432 645 A N -1.043 121.498 122.820 -0.465 0.000 1.858 645 A HA -0.299 4.021 4.320 -0.000 0.000 0.216 645 A C 2.263 179.408 177.584 -0.732 0.000 1.190 645 A CA 1.851 53.454 52.037 -0.723 0.000 0.617 645 A CB -0.921 17.230 19.000 -1.415 0.000 0.827 645 A HN 0.635 nan 8.150 nan 0.000 0.443 646 Q N -0.513 118.756 119.800 -0.885 0.000 2.062 646 Q HA -0.306 4.034 4.340 -0.000 0.000 0.209 646 Q C 2.241 178.170 176.000 -0.118 0.000 0.996 646 Q CA 2.739 58.400 55.803 -0.236 0.000 0.859 646 Q CB -0.338 28.356 28.738 -0.074 0.000 0.920 646 Q HN 0.770 nan 8.270 nan 0.000 0.415 647 Q N -1.489 118.258 119.800 -0.088 0.000 2.123 647 Q HA -0.134 4.206 4.340 -0.000 0.000 0.199 647 Q C 1.829 177.894 176.000 0.108 0.000 0.966 647 Q CA 1.143 56.950 55.803 0.007 0.000 0.845 647 Q CB -0.216 28.541 28.738 0.033 0.000 0.907 647 Q HN 0.505 nan 8.270 nan 0.000 0.439 648 F N 1.495 121.423 119.950 -0.038 0.000 2.126 648 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 648 F C 2.295 178.121 175.800 0.044 0.000 1.096 648 F CA 2.057 60.105 58.000 0.079 0.000 1.255 648 F CB -0.362 38.637 39.000 -0.003 0.000 0.997 648 F HN 0.153 nan 8.300 nan 0.000 0.479 649 Q N -0.217 119.505 119.800 -0.129 0.000 2.016 649 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 649 Q C 2.301 178.080 176.000 -0.369 0.000 0.978 649 Q CA 1.631 57.195 55.803 -0.399 0.000 0.833 649 Q CB -0.255 28.247 28.738 -0.394 0.000 0.895 649 Q HN 0.478 nan 8.270 nan 0.000 0.427 650 Q N 0.366 120.004 119.800 -0.270 0.000 2.062 650 Q HA -0.268 4.072 4.340 -0.000 0.000 0.209 650 Q C 1.944 177.916 176.000 -0.046 0.000 0.996 650 Q CA 2.120 57.854 55.803 -0.115 0.000 0.859 650 Q CB -0.231 28.466 28.738 -0.068 0.000 0.920 650 Q HN 0.520 nan 8.270 nan 0.000 0.415 651 E N 0.300 120.441 120.200 -0.098 0.000 2.072 651 E HA -0.089 4.260 4.350 -0.000 0.000 0.190 651 E C 2.167 178.584 176.600 -0.306 0.000 0.982 651 E CA 0.198 56.471 56.400 -0.212 0.000 0.803 651 E CB -0.025 29.485 29.700 -0.316 0.000 0.755 651 E HN 0.229 nan 8.360 nan 0.000 0.453 652 L N 0.159 121.214 121.223 -0.279 0.000 1.989 652 L HA -0.218 4.122 4.340 -0.000 0.000 0.211 652 L C 2.210 178.993 176.870 -0.145 0.000 1.071 652 L CA 1.551 56.252 54.840 -0.232 0.000 0.749 652 L CB -0.368 41.458 42.059 -0.388 0.000 0.890 652 L HN 0.316 nan 8.230 nan 0.000 0.431 653 Y N -0.636 119.436 120.300 -0.380 0.000 2.181 653 Y HA -0.266 4.284 4.550 -0.000 0.000 0.288 653 Y C 2.286 177.835 175.900 -0.585 0.000 1.146 653 Y CA 1.045 58.788 58.100 -0.594 0.000 1.164 653 Y CB -0.784 37.368 38.460 -0.515 0.000 0.982 653 Y HN 0.163 nan 8.280 nan 0.000 0.515 654 L N 0.341 121.518 121.223 -0.076 0.000 2.017 654 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 654 L C 2.358 179.232 176.870 0.007 0.000 1.073 654 L CA 1.687 56.545 54.840 0.031 0.000 0.745 654 L CB -0.639 41.451 42.059 0.053 0.000 0.894 654 L HN 0.029 nan 8.230 nan 0.000 0.432 655 R N -0.561 119.899 120.500 -0.067 0.000 2.080 655 R HA -0.159 4.181 4.340 -0.000 0.000 0.236 655 R C 2.312 178.609 176.300 -0.005 0.000 1.137 655 R CA 2.173 58.256 56.100 -0.029 0.000 0.943 655 R CB -0.567 29.706 30.300 -0.045 0.000 0.846 655 R HN 0.392 nan 8.270 nan 0.000 0.431 656 I N -0.027 120.466 120.570 -0.129 0.000 2.286 656 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 656 I C 1.880 178.019 176.117 0.037 0.000 1.115 656 I CA 1.015 62.228 61.300 -0.144 0.000 1.392 656 I CB -0.240 37.520 38.000 -0.398 0.000 1.065 656 I HN 0.072 nan 8.210 nan 0.000 0.418 657 F N 1.217 121.127 119.950 -0.067 0.000 2.171 657 F HA -0.141 4.386 4.527 -0.000 0.000 0.300 657 F C 2.371 178.170 175.800 -0.000 0.000 1.090 657 F CA 1.322 59.299 58.000 -0.038 0.000 1.293 657 F CB -0.774 38.214 39.000 -0.022 0.000 1.013 657 F HN 0.011 nan 8.300 nan 0.000 0.486 658 R N 0.277 120.899 120.500 0.204 0.000 2.334 658 R HA 0.060 4.400 4.340 -0.000 0.000 0.220 658 R C 0.102 176.463 176.300 0.103 0.000 0.917 658 R CA 0.152 56.330 56.100 0.130 0.000 1.073 658 R CB -0.332 30.030 30.300 0.104 0.000 1.056 658 R HN 0.240 nan 8.270 nan 0.000 0.506 659 N N 1.424 120.189 118.700 0.108 0.000 2.714 659 N HA -0.187 4.553 4.740 -0.000 0.000 0.250 659 N C -0.877 174.695 175.510 0.103 0.000 1.117 659 N CA 1.170 54.280 53.050 0.100 0.000 0.719 659 N CB -0.874 37.666 38.487 0.088 0.000 1.081 659 N HN 0.497 nan 8.380 nan 0.000 0.557 660 E N 0.403 120.667 120.200 0.107 0.000 2.250 660 E HA 0.425 4.775 4.350 -0.000 0.000 0.265 660 E C -2.276 174.414 176.600 0.151 0.000 1.033 660 E CA -1.733 54.727 56.400 0.099 0.000 0.888 660 E CB 0.647 30.389 29.700 0.070 0.000 1.151 660 E HN -0.017 nan 8.360 nan 0.000 0.412 661 P HA -0.059 nan 4.420 nan 0.000 0.268 661 P C -0.831 176.530 177.300 0.102 0.000 1.205 661 P CA 0.595 63.716 63.100 0.036 0.000 0.771 661 P CB 0.114 31.810 31.700 -0.006 0.000 0.858 662 Y N -0.615 119.722 120.300 0.063 0.000 2.459 662 Y HA 0.298 4.848 4.550 -0.000 0.000 0.271 662 Y C 1.760 177.762 175.900 0.170 0.000 1.063 662 Y CA -0.146 58.021 58.100 0.112 0.000 1.216 662 Y CB -0.658 37.840 38.460 0.064 0.000 1.335 662 Y HN 0.117 nan 8.280 nan 0.000 0.550 663 Q N 1.254 120.705 119.800 -0.583 0.000 2.096 663 Q HA -0.221 4.119 4.340 -0.000 0.000 0.204 663 Q C 1.675 177.651 176.000 -0.040 0.000 0.982 663 Q CA 2.315 57.947 55.803 -0.286 0.000 0.850 663 Q CB -0.020 28.493 28.738 -0.374 0.000 0.901 663 Q HN 0.510 nan 8.270 nan 0.000 0.422 664 E N -0.306 119.879 120.200 -0.026 0.000 2.106 664 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 664 E C 1.547 178.193 176.600 0.076 0.000 0.984 664 E CA 0.829 57.237 56.400 0.014 0.000 0.806 664 E CB -0.204 29.502 29.700 0.011 0.000 0.750 664 E HN 0.393 nan 8.360 nan 0.000 0.458 665 Y N -0.017 120.318 120.300 0.058 0.000 2.128 665 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 665 Y C 1.948 177.963 175.900 0.193 0.000 1.154 665 Y CA 1.752 59.924 58.100 0.120 0.000 1.149 665 Y CB -0.421 38.127 38.460 0.147 0.000 0.976 665 Y HN -0.070 nan 8.280 nan 0.000 0.505 666 V N 0.759 120.806 119.914 0.222 0.000 2.343 666 V HA -0.313 3.806 4.120 -0.000 0.000 0.247 666 V C 2.409 178.513 176.094 0.018 0.000 1.051 666 V CA 2.330 64.780 62.300 0.250 0.000 1.036 666 V CB -0.640 31.441 31.823 0.430 0.000 0.654 666 V HN 0.341 nan 8.190 nan 0.000 0.451 667 R N -0.312 120.177 120.500 -0.019 0.000 2.081 667 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 667 R C 2.403 178.634 176.300 -0.115 0.000 1.131 667 R CA 1.403 57.454 56.100 -0.081 0.000 0.960 667 R CB -0.297 29.961 30.300 -0.070 0.000 0.856 667 R HN 0.497 nan 8.270 nan 0.000 0.436 668 E N -0.032 120.096 120.200 -0.121 0.000 2.072 668 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 668 E C 2.037 178.522 176.600 -0.193 0.000 0.985 668 E CA 1.440 57.757 56.400 -0.138 0.000 0.801 668 E CB -0.196 29.438 29.700 -0.110 0.000 0.750 668 E HN 0.296 nan 8.360 nan 0.000 0.452 669 T N 1.806 116.193 114.554 -0.280 0.000 2.684 669 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 669 T C 2.127 176.668 174.700 -0.265 0.000 1.036 669 T CA 1.097 63.006 62.100 -0.318 0.000 1.148 669 T CB -0.251 68.357 68.868 -0.433 0.000 0.863 669 T HN 0.107 nan 8.240 nan 0.000 0.436 670 I N 0.943 121.379 120.570 -0.224 0.000 2.127 670 I HA -0.196 3.974 4.170 -0.000 0.000 0.241 670 I C 2.519 178.533 176.117 -0.173 0.000 1.075 670 I CA 1.441 62.633 61.300 -0.181 0.000 1.334 670 I CB -0.365 37.541 38.000 -0.157 0.000 1.040 670 I HN 0.170 nan 8.210 nan 0.000 0.405 671 D N 0.963 121.266 120.400 -0.161 0.000 2.097 671 D HA -0.185 4.455 4.640 -0.000 0.000 0.195 671 D C 2.182 178.380 176.300 -0.170 0.000 0.989 671 D CA 1.475 55.386 54.000 -0.149 0.000 0.827 671 D CB 0.040 40.766 40.800 -0.124 0.000 0.966 671 D HN 0.137 nan 8.370 nan 0.000 0.456 672 K N -0.069 120.226 120.400 -0.176 0.000 2.063 672 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 672 K C 2.195 178.642 176.600 -0.254 0.000 1.048 672 K CA 0.583 56.758 56.287 -0.188 0.000 0.928 672 K CB -0.223 32.179 32.500 -0.164 0.000 0.713 672 K HN 0.194 nan 8.250 nan 0.000 0.442 673 L N 0.605 121.667 121.223 -0.268 0.000 1.989 673 L HA -0.206 4.134 4.340 -0.000 0.000 0.211 673 L C 2.074 178.625 176.870 -0.531 0.000 1.071 673 L CA 1.453 56.090 54.840 -0.338 0.000 0.749 673 L CB -0.170 41.749 42.059 -0.233 0.000 0.890 673 L HN 0.311 nan 8.230 nan 0.000 0.431 674 M N -0.641 118.747 119.600 -0.354 0.000 2.460 674 M HA -0.074 4.406 4.480 -0.000 0.000 0.263 674 M C 2.102 178.184 176.300 -0.363 0.000 1.071 674 M CA 1.276 56.388 55.300 -0.313 0.000 1.096 674 M CB -1.500 31.023 32.600 -0.128 0.000 1.408 674 M HN 0.323 nan 8.290 nan 0.000 0.463 675 A N -0.578 122.034 122.820 -0.347 0.000 2.218 675 A HA 0.443 4.763 4.320 -0.000 0.000 0.209 675 A C 1.686 179.094 177.584 -0.293 0.000 1.168 675 A CA 0.841 52.729 52.037 -0.247 0.000 0.804 675 A CB -0.571 18.324 19.000 -0.175 0.000 0.834 675 A HN 0.601 nan 8.150 nan 0.000 0.482 676 G N -0.426 108.035 108.800 -0.565 0.000 2.137 676 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.237 676 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.237 676 G C 0.334 175.100 174.900 -0.223 0.000 1.002 676 G CA 0.561 45.407 45.100 -0.424 0.000 0.702 676 G HN 0.608 nan 8.290 nan 0.000 0.515 677 E N -0.807 119.250 120.200 -0.239 0.000 2.474 677 E HA 0.289 4.639 4.350 -0.000 0.000 0.194 677 E C 1.849 178.367 176.600 -0.137 0.000 1.041 677 E CA 0.051 56.361 56.400 -0.150 0.000 0.874 677 E CB 0.221 29.843 29.700 -0.130 0.000 0.914 677 E HN 0.553 nan 8.360 nan 0.000 0.498 678 L N 1.056 122.170 121.223 -0.181 0.000 2.965 678 L HA 0.112 4.452 4.340 -0.000 0.000 0.254 678 L C 0.604 177.388 176.870 -0.142 0.000 1.220 678 L CA -0.270 54.477 54.840 -0.155 0.000 1.023 678 L CB 0.314 42.260 42.059 -0.189 0.000 1.355 678 L HN -0.037 nan 8.230 nan 0.000 0.545 679 D N 1.624 121.962 120.400 -0.103 0.000 2.172 679 D HA -0.231 4.408 4.640 -0.000 0.000 0.196 679 D C 2.160 178.413 176.300 -0.080 0.000 0.999 679 D CA 1.625 55.586 54.000 -0.065 0.000 0.856 679 D CB 0.244 41.035 40.800 -0.014 0.000 0.934 679 D HN 0.388 nan 8.370 nan 0.000 0.453 680 A N 0.457 123.238 122.820 -0.066 0.000 2.015 680 A HA -0.129 4.191 4.320 -0.000 0.000 0.219 680 A C 2.019 179.570 177.584 -0.055 0.000 1.163 680 A CA 0.942 52.949 52.037 -0.050 0.000 0.646 680 A CB -0.277 18.701 19.000 -0.037 0.000 0.806 680 A HN 0.149 nan 8.150 nan 0.000 0.448 681 R N -1.155 119.296 120.500 -0.082 0.000 2.310 681 R HA 0.184 4.524 4.340 -0.000 0.000 0.202 681 R C 0.293 176.536 176.300 -0.094 0.000 0.933 681 R CA -0.024 56.027 56.100 -0.081 0.000 1.054 681 R CB 0.036 30.278 30.300 -0.097 0.000 0.985 681 R HN 0.299 nan 8.270 nan 0.000 0.489 682 L N 0.589 121.725 121.223 -0.146 0.000 2.607 682 L HA 0.080 4.420 4.340 -0.000 0.000 0.228 682 L C 0.374 177.305 176.870 0.102 0.000 1.123 682 L CA 0.342 55.053 54.840 -0.214 0.000 0.890 682 L CB 0.475 42.108 42.059 -0.710 0.000 1.103 682 L HN -0.091 nan 8.230 nan 0.000 0.468 683 V N -1.255 118.687 119.914 0.048 0.000 2.432 683 V HA 0.438 4.558 4.120 -0.000 0.000 0.271 683 V C -0.205 175.953 176.094 0.106 0.000 1.046 683 V CA -0.674 61.643 62.300 0.029 0.000 0.945 683 V CB 0.013 31.822 31.823 -0.024 0.000 0.992 683 V HN 0.303 nan 8.190 nan 0.000 0.471 746 P HA 0.549 nan 4.420 nan 0.000 0.277 746 P C -0.842 176.380 177.300 -0.130 0.000 1.240 746 P CA -0.689 62.363 63.100 -0.081 0.000 0.798 746 P CB 0.214 31.868 31.700 -0.077 0.000 0.979 747 L N 1.203 122.307 121.223 -0.199 0.000 2.483 747 L HA 0.065 4.405 4.340 -0.000 0.000 0.276 747 L C 0.653 177.270 176.870 -0.422 0.000 1.213 747 L CA 0.168 54.846 54.840 -0.271 0.000 0.843 747 L CB 0.008 41.849 42.059 -0.362 0.000 1.107 747 L HN 0.464 nan 8.230 nan 0.000 0.487 748 D N 1.132 121.417 120.400 -0.191 0.000 2.485 748 D HA 0.124 4.763 4.640 -0.000 0.000 0.229 748 D C 0.512 176.864 176.300 0.087 0.000 1.101 748 D CA -0.357 53.575 54.000 -0.114 0.000 0.906 748 D CB 0.489 41.266 40.800 -0.039 0.000 1.019 748 D HN 0.259 nan 8.370 nan 0.000 0.516 749 Y N 1.580 122.005 120.300 0.209 0.000 2.274 749 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 749 Y C 2.178 178.189 175.900 0.185 0.000 1.145 749 Y CA 0.781 59.007 58.100 0.211 0.000 1.203 749 Y CB -0.412 38.087 38.460 0.064 0.000 0.984 749 Y HN 0.404 nan 8.280 nan 0.000 0.533 750 E N -0.378 119.963 120.200 0.236 0.000 2.110 750 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 750 E C 2.077 178.746 176.600 0.116 0.000 0.988 750 E CA 1.569 58.057 56.400 0.146 0.000 0.804 750 E CB -0.318 29.439 29.700 0.095 0.000 0.745 750 E HN 0.638 nan 8.360 nan 0.000 0.458 751 H N -1.489 117.588 119.070 0.012 0.000 2.321 751 H HA -0.166 4.390 4.556 -0.000 0.000 0.300 751 H C 1.539 176.778 175.328 -0.149 0.000 1.087 751 H CA 2.211 58.189 56.048 -0.117 0.000 1.319 751 H CB -0.263 29.355 29.762 -0.241 0.000 1.379 751 H HN 0.274 nan 8.280 nan 0.000 0.501 752 Y N -0.606 119.773 120.300 0.131 0.000 2.242 752 Y HA -0.135 4.415 4.550 -0.000 0.000 0.291 752 Y C 2.438 178.299 175.900 -0.065 0.000 1.137 752 Y CA 0.894 59.018 58.100 0.040 0.000 1.181 752 Y CB -0.276 38.251 38.460 0.111 0.000 0.989 752 Y HN 0.290 nan 8.280 nan 0.000 0.527 753 L N 0.011 121.306 121.223 0.120 0.000 2.027 753 L HA -0.162 4.178 4.340 -0.000 0.000 0.206 753 L C 2.377 179.248 176.870 0.001 0.000 1.074 753 L CA 2.613 57.488 54.840 0.058 0.000 0.745 753 L CB -1.158 40.957 42.059 0.093 0.000 0.898 753 L HN 0.355 nan 8.230 nan 0.000 0.433 754 T N -4.003 110.527 114.554 -0.041 0.000 3.009 754 T HA 0.037 4.387 4.350 -0.000 0.000 0.258 754 T C 1.711 176.311 174.700 -0.167 0.000 1.063 754 T CA 0.243 62.298 62.100 -0.075 0.000 1.139 754 T CB -0.171 68.667 68.868 -0.050 0.000 0.890 754 T HN 0.190 nan 8.240 nan 0.000 0.471 755 R N 0.041 120.370 120.500 -0.285 0.000 2.362 755 R HA 0.461 4.800 4.340 -0.000 0.000 0.227 755 R C 1.384 177.536 176.300 -0.246 0.000 0.905 755 R CA 0.235 56.142 56.100 -0.321 0.000 1.067 755 R CB 0.249 30.202 30.300 -0.579 0.000 1.078 755 R HN 0.455 nan 8.270 nan 0.000 0.516 756 Q N -0.826 118.851 119.800 -0.206 0.000 2.534 756 Q HA 0.306 4.645 4.340 -0.000 0.000 0.207 756 Q C 1.671 177.576 176.000 -0.157 0.000 0.735 756 Q CA 0.129 55.837 55.803 -0.157 0.000 0.904 756 Q CB 0.315 28.978 28.738 -0.124 0.000 1.294 756 Q HN 0.049 nan 8.270 nan 0.000 0.553 757 L N 0.855 121.954 121.223 -0.207 0.000 2.005 757 L HA -0.107 4.233 4.340 -0.000 0.000 0.207 757 L C 2.507 179.127 176.870 -0.415 0.000 1.072 757 L CA 1.752 56.394 54.840 -0.330 0.000 0.744 757 L CB -0.541 41.267 42.059 -0.417 0.000 0.895 757 L HN 0.418 nan 8.230 nan 0.000 0.433 758 Q N 0.509 119.964 119.800 -0.577 0.000 2.029 758 Q HA -0.219 4.121 4.340 -0.000 0.000 0.209 758 Q C -0.565 175.154 176.000 -0.468 0.000 0.999 758 Q CA 2.558 57.829 55.803 -0.887 0.000 0.857 758 Q CB -0.810 27.690 28.738 -0.397 0.000 0.926 758 Q HN 0.274 nan 8.270 nan 0.000 0.415 759 P HA -0.137 nan 4.420 nan 0.000 0.218 759 P C 1.325 178.618 177.300 -0.012 0.000 1.148 759 P CA 1.061 64.108 63.100 -0.087 0.000 0.822 759 P CB -0.012 31.669 31.700 -0.032 0.000 0.784 760 V N 0.212 120.150 119.914 0.040 0.000 2.307 760 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 760 V C 2.487 178.671 176.094 0.149 0.000 1.045 760 V CA 2.283 64.673 62.300 0.151 0.000 1.024 760 V CB -1.620 30.347 31.823 0.240 0.000 0.651 760 V HN 0.093 nan 8.190 nan 0.000 0.449 761 A N -0.634 122.234 122.820 0.079 0.000 1.930 761 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 761 A C 2.068 179.652 177.584 -0.000 0.000 1.175 761 A CA 1.573 53.650 52.037 0.066 0.000 0.627 761 A CB -0.447 18.651 19.000 0.162 0.000 0.815 761 A HN 0.628 nan 8.150 nan 0.000 0.443 762 E N -0.594 119.566 120.200 -0.066 0.000 2.409 762 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 762 E C 1.776 178.340 176.600 -0.061 0.000 1.024 762 E CA 0.412 56.775 56.400 -0.063 0.000 0.861 762 E CB -0.188 29.468 29.700 -0.073 0.000 0.788 762 E HN 0.637 nan 8.360 nan 0.000 0.521 763 G N 0.511 109.323 108.800 0.020 0.000 2.623 763 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.214 763 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.214 763 G C 1.406 176.374 174.900 0.114 0.000 1.138 763 G CA 0.047 45.206 45.100 0.098 0.000 0.794 763 G HN 0.208 nan 8.290 nan 0.000 0.535 764 I N -1.179 119.367 120.570 -0.040 0.000 4.228 764 I HA 0.263 4.433 4.170 -0.000 0.000 0.298 764 I C 2.177 178.211 176.117 -0.138 0.000 1.206 764 I CA -0.033 61.213 61.300 -0.089 0.000 1.322 764 I CB 0.213 37.877 38.000 -0.560 0.000 1.411 764 I HN -0.035 nan 8.210 nan 0.000 0.454 765 L N 2.193 123.314 121.223 -0.169 0.000 2.021 765 L HA -0.179 4.161 4.340 -0.000 0.000 0.215 765 L C -0.632 176.135 176.870 -0.172 0.000 1.074 765 L CA 1.939 56.700 54.840 -0.132 0.000 0.760 765 L CB -2.242 39.813 42.059 -0.007 0.000 0.889 765 L HN 0.229 nan 8.230 nan 0.000 0.433 766 P HA -0.173 nan 4.420 nan 0.000 0.219 766 P C 1.294 178.347 177.300 -0.412 0.000 1.146 766 P CA 1.448 64.302 63.100 -0.410 0.000 0.808 766 P CB -0.067 31.257 31.700 -0.626 0.000 0.779 767 F N -0.916 118.975 119.950 -0.099 0.000 2.661 767 F HA 0.091 4.617 4.527 -0.000 0.000 0.298 767 F C 1.853 177.589 175.800 -0.107 0.000 1.137 767 F CA 0.532 58.460 58.000 -0.121 0.000 1.454 767 F CB -0.892 38.011 39.000 -0.162 0.000 1.103 767 F HN -0.039 nan 8.300 nan 0.000 0.577 768 I N -2.583 118.003 120.570 0.026 0.000 3.936 768 I HA 0.341 4.511 4.170 -0.000 0.000 0.330 768 I C 0.391 176.528 176.117 0.032 0.000 1.509 768 I CA 0.035 61.349 61.300 0.023 0.000 1.126 768 I CB -0.007 37.990 38.000 -0.004 0.000 1.115 768 I HN 0.137 nan 8.210 nan 0.000 0.424 769 E N 1.389 121.592 120.200 0.005 0.000 2.596 769 E HA -0.213 4.137 4.350 -0.000 0.000 0.272 769 E C -0.692 175.929 176.600 0.034 0.000 1.039 769 E CA 0.462 56.869 56.400 0.012 0.000 0.804 769 E CB -0.725 28.991 29.700 0.026 0.000 1.373 769 E HN 0.768 nan 8.360 nan 0.000 0.404 770 D N -0.347 120.074 120.400 0.035 0.000 2.585 770 D HA 0.510 5.150 4.640 -0.000 0.000 0.254 770 D C -1.184 175.144 176.300 0.047 0.000 1.067 770 D CA -0.512 53.535 54.000 0.078 0.000 1.090 770 D CB 1.290 42.202 40.800 0.186 0.000 1.408 770 D HN 0.128 nan 8.370 nan 0.000 0.554 771 N N 1.026 119.773 118.700 0.079 0.000 2.537 771 N HA 0.033 4.773 4.740 -0.000 0.000 0.281 771 N C -0.273 175.313 175.510 0.127 0.000 1.097 771 N CA -0.395 52.701 53.050 0.076 0.000 0.964 771 N CB 0.748 39.256 38.487 0.034 0.000 1.588 771 N HN 0.331 nan 8.380 nan 0.000 0.511 772 F N 4.213 124.181 119.950 0.030 0.000 2.134 772 F HA -0.010 4.516 4.527 -0.000 0.000 0.299 772 F C 2.113 177.931 175.800 0.029 0.000 1.097 772 F CA 2.219 60.251 58.000 0.054 0.000 1.264 772 F CB 0.006 39.044 39.000 0.062 0.000 1.001 772 F HN 0.688 nan 8.300 nan 0.000 0.479 773 A N -0.672 122.189 122.820 0.068 0.000 1.940 773 A HA -0.188 4.131 4.320 -0.000 0.000 0.219 773 A C 2.174 179.690 177.584 -0.113 0.000 1.176 773 A CA 2.281 54.296 52.037 -0.037 0.000 0.631 773 A CB -1.396 17.627 19.000 0.039 0.000 0.814 773 A HN 0.447 nan 8.150 nan 0.000 0.446 774 T N 0.297 114.807 114.554 -0.074 0.000 2.821 774 T HA -0.022 4.328 4.350 -0.000 0.000 0.267 774 T C 1.800 176.426 174.700 -0.123 0.000 1.046 774 T CA 1.290 63.346 62.100 -0.075 0.000 1.139 774 T CB -0.320 68.528 68.868 -0.034 0.000 0.871 774 T HN 0.374 nan 8.240 nan 0.000 0.454 775 L N 0.552 121.676 121.223 -0.165 0.000 2.017 775 L HA -0.059 4.280 4.340 -0.000 0.000 0.208 775 L C 2.786 179.478 176.870 -0.297 0.000 1.073 775 L CA 1.083 55.804 54.840 -0.198 0.000 0.745 775 L CB -0.525 41.433 42.059 -0.169 0.000 0.894 775 L HN 0.276 nan 8.230 nan 0.000 0.432 776 M N -0.370 118.938 119.600 -0.486 0.000 2.086 776 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 776 M C 2.270 178.425 176.300 -0.242 0.000 1.067 776 M CA 2.122 57.154 55.300 -0.446 0.000 1.116 776 M CB -0.560 31.708 32.600 -0.553 0.000 1.348 776 M HN 0.203 nan 8.290 nan 0.000 0.407 777 T N 0.460 114.901 114.554 -0.187 0.000 2.720 777 T HA -0.130 4.220 4.350 -0.000 0.000 0.268 777 T C 1.628 176.258 174.700 -0.117 0.000 1.037 777 T CA 1.668 63.694 62.100 -0.124 0.000 1.144 777 T CB -0.884 67.933 68.868 -0.084 0.000 0.864 777 T HN 0.690 nan 8.240 nan 0.000 0.444 778 G N 0.298 109.027 108.800 -0.118 0.000 2.450 778 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.220 778 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.220 778 G C 1.653 176.489 174.900 -0.106 0.000 1.130 778 G CA 0.745 45.786 45.100 -0.098 0.000 0.760 778 G HN 0.331 nan 8.290 nan 0.000 0.557 779 Q N -0.524 119.198 119.800 -0.131 0.000 2.165 779 Q HA 0.285 4.625 4.340 -0.000 0.000 0.197 779 Q C 2.449 178.367 176.000 -0.137 0.000 0.952 779 Q CA 0.759 56.484 55.803 -0.129 0.000 0.848 779 Q CB -0.021 28.629 28.738 -0.148 0.000 0.931 779 Q HN 0.501 nan 8.270 nan 0.000 0.470 780 L N -1.646 119.485 121.223 -0.153 0.000 2.638 780 L HA 0.417 4.757 4.340 -0.000 0.000 0.232 780 L C 0.810 177.544 176.870 -0.226 0.000 1.099 780 L CA 0.151 54.888 54.840 -0.171 0.000 0.883 780 L CB 0.418 42.386 42.059 -0.151 0.000 1.136 780 L HN 0.240 nan 8.230 nan 0.000 0.492 781 G N 0.417 109.100 108.800 -0.195 0.000 2.631 781 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.504 781 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.504 781 G C -0.216 174.594 174.900 -0.149 0.000 1.306 781 G CA -0.578 44.389 45.100 -0.221 0.000 0.897 781 G HN 0.002 nan 8.290 nan 0.000 0.520 782 L N 0.471 121.660 121.223 -0.056 0.000 2.611 782 L HA 0.473 4.813 4.340 -0.000 0.000 0.229 782 L C 0.825 177.805 176.870 0.184 0.000 1.137 782 L CA 0.404 55.284 54.840 0.068 0.000 0.901 782 L CB -0.681 41.456 42.059 0.129 0.000 1.098 782 L HN 0.584 nan 8.230 nan 0.000 0.456 783 F N 0.000 119.943 119.950 -0.011 0.000 2.286 783 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 783 F CA 0.000 57.997 58.000 -0.005 0.000 1.383 783 F CB 0.000 38.997 39.000 -0.005 0.000 1.145 783 F HN 0.000 nan 8.300 nan 0.000 0.574