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 2z0f_1_A DATA FIRST_RESID 1 DATA SEQUENCE MEITRLLTLY YEATPDPQNP LEGVRFGTSG HRGSSLKATF TEAHVLAIAQ DATA SEQUENCE AIAELRPSFG ATGPLFLAKD THALSEPAWA TALSVFAAHG IEVRVEADGD DATA SEQUENCE YTPTPLVSLA ILEHNAHHEA KADGVLLTPX XNPPEDGGFK YNPPTGGPAN DATA SEQUENCE ARITRAIEER ANALLQEGLK GVKRLPLREA LARAKPFDYA GLYVEKVAEA DATA SEQUENCE VDLEAIRASG LRIGVDPLGG ASLRVWERLA ESHGLPLEVV XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XLLALKDRFD LAIGNDPDAD RHGIVTPRGL DATA SEQUENCE MNPNHYLAAA LHHLYTTRSW PGAKVGKTAV TSALLDRVAQ ALGREVYETP DATA SEQUENCE VGFKHFVAGL LEGWLGFAGE ESAGASFLRF DGRPFSTDKD GILMGLLAAE DATA SEQUENCE LMAKRGQAPD ALYEALAEKL GRPYYARKDL PVSPEAKARL ARLSAKEVHP DATA SEQUENCE STLAGEPVLQ VLDRATGNGE PLGGIKVVAA NAWFAVRPSG TEDVAKVYAE DATA SEQUENCE SFLGEAHLER VLEEATALLH KALA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.316 176.300 0.026 0.000 1.140 1 M CA 0.000 55.312 55.300 0.019 0.000 0.988 1 M CB 0.000 32.608 32.600 0.013 0.000 1.302 2 E N 1.668 121.883 120.200 0.024 0.000 2.396 2 E HA -0.152 4.197 4.350 -0.003 0.000 0.200 2 E C 1.223 177.846 176.600 0.039 0.000 1.023 2 E CA 1.910 58.330 56.400 0.032 0.000 0.857 2 E CB -0.616 29.100 29.700 0.027 0.000 0.775 2 E HN 0.734 nan 8.360 nan 0.000 0.525 3 I N 1.695 122.286 120.570 0.034 0.000 2.286 3 I HA -0.217 3.951 4.170 -0.003 0.000 0.245 3 I C 2.356 178.508 176.117 0.058 0.000 1.104 3 I CA 1.896 63.220 61.300 0.040 0.000 1.397 3 I CB -0.328 37.688 38.000 0.025 0.000 1.072 3 I HN 0.205 nan 8.210 nan 0.000 0.417 4 T N -1.215 113.373 114.554 0.056 0.000 2.867 4 T HA -0.230 4.118 4.350 -0.003 0.000 0.268 4 T C 2.086 176.838 174.700 0.086 0.000 1.057 4 T CA 1.403 63.545 62.100 0.069 0.000 1.136 4 T CB -0.562 68.339 68.868 0.056 0.000 0.874 4 T HN 0.441 nan 8.240 nan 0.000 0.466 5 R N 0.168 120.713 120.500 0.075 0.000 2.075 5 R HA 0.043 4.382 4.340 -0.003 0.000 0.232 5 R C 2.456 178.820 176.300 0.106 0.000 1.126 5 R CA 1.190 57.340 56.100 0.083 0.000 0.963 5 R CB -0.575 29.764 30.300 0.064 0.000 0.858 5 R HN 0.402 nan 8.270 nan 0.000 0.435 6 L N 0.612 121.896 121.223 0.101 0.000 2.042 6 L HA -0.163 4.176 4.340 -0.003 0.000 0.210 6 L C 1.873 178.843 176.870 0.166 0.000 1.076 6 L CA 1.597 56.509 54.840 0.120 0.000 0.749 6 L CB -0.383 41.733 42.059 0.094 0.000 0.893 6 L HN 0.228 nan 8.230 nan 0.000 0.432 7 L N -1.200 120.119 121.223 0.161 0.000 2.109 7 L HA -0.100 4.238 4.340 -0.003 0.000 0.207 7 L C 2.446 179.510 176.870 0.322 0.000 1.086 7 L CA 1.887 56.856 54.840 0.215 0.000 0.760 7 L CB -1.325 40.843 42.059 0.180 0.000 0.910 7 L HN 0.254 nan 8.230 nan 0.000 0.437 8 T N -0.391 114.312 114.554 0.248 0.000 2.746 8 T HA -0.165 4.183 4.350 -0.003 0.000 0.267 8 T C 1.954 176.807 174.700 0.254 0.000 1.039 8 T CA 1.144 63.396 62.100 0.253 0.000 1.142 8 T CB -0.273 68.685 68.868 0.151 0.000 0.866 8 T HN 0.189 nan 8.240 nan 0.000 0.444 9 L N -0.029 121.312 121.223 0.197 0.000 2.362 9 L HA -0.047 4.291 4.340 -0.003 0.000 0.219 9 L C 2.258 179.219 176.870 0.153 0.000 1.134 9 L CA 0.946 55.879 54.840 0.155 0.000 0.807 9 L CB -0.506 41.631 42.059 0.130 0.000 0.927 9 L HN 0.318 nan 8.230 nan 0.000 0.447 10 Y N -0.433 119.902 120.300 0.059 0.000 2.274 10 Y HA -0.283 4.265 4.550 -0.003 0.000 0.290 10 Y C 1.958 177.746 175.900 -0.187 0.000 1.145 10 Y CA 1.667 59.716 58.100 -0.086 0.000 1.203 10 Y CB -0.119 38.219 38.460 -0.205 0.000 0.984 10 Y HN 0.085 nan 8.280 nan 0.000 0.533 11 Y N -0.675 119.653 120.300 0.048 0.000 2.441 11 Y HA 0.057 4.605 4.550 -0.003 0.000 0.288 11 Y C 2.155 178.025 175.900 -0.049 0.000 1.118 11 Y CA 0.685 58.761 58.100 -0.041 0.000 1.215 11 Y CB -0.069 38.443 38.460 0.086 0.000 1.118 11 Y HN -0.032 nan 8.280 nan 0.000 0.547 12 E N 0.552 120.848 120.200 0.159 0.000 2.285 12 E HA 0.123 4.472 4.350 -0.003 0.000 0.194 12 E C 0.671 177.289 176.600 0.029 0.000 0.997 12 E CA 0.436 56.886 56.400 0.083 0.000 0.845 12 E CB -0.126 29.626 29.700 0.086 0.000 0.782 12 E HN 0.263 nan 8.360 nan 0.000 0.491 13 A N 1.048 123.873 122.820 0.008 0.000 2.282 13 A HA 0.611 4.929 4.320 -0.003 0.000 0.319 13 A C 0.196 177.735 177.584 -0.074 0.000 1.121 13 A CA -0.187 51.842 52.037 -0.013 0.000 0.836 13 A CB 0.901 19.914 19.000 0.021 0.000 1.146 13 A HN 0.108 nan 8.150 nan 0.000 0.494 14 T N -0.787 113.727 114.554 -0.067 0.000 2.853 14 T HA 0.734 5.082 4.350 -0.003 0.000 0.311 14 T C -3.246 171.402 174.700 -0.087 0.000 1.307 14 T CA -1.388 60.633 62.100 -0.130 0.000 1.019 14 T CB 1.577 70.366 68.868 -0.131 0.000 1.264 14 T HN 0.527 nan 8.240 nan 0.000 0.497 15 P HA 0.272 nan 4.420 nan 0.000 0.279 15 P C -0.910 176.370 177.300 -0.034 0.000 1.239 15 P CA -0.160 62.917 63.100 -0.039 0.000 0.789 15 P CB 0.690 32.351 31.700 -0.066 0.000 0.933 16 D N 3.533 123.936 120.400 0.006 0.000 2.383 16 D HA 0.075 4.713 4.640 -0.003 0.000 0.252 16 D C -1.546 174.753 176.300 -0.002 0.000 1.166 16 D CA -1.957 52.043 54.000 0.000 0.000 0.879 16 D CB 0.800 41.608 40.800 0.014 0.000 1.164 16 D HN 0.114 nan 8.370 nan 0.000 0.462 17 P HA -0.087 nan 4.420 nan 0.000 0.218 17 P C 0.571 177.870 177.300 -0.002 0.000 1.149 17 P CA 1.035 64.126 63.100 -0.015 0.000 0.817 17 P CB 0.313 32.000 31.700 -0.023 0.000 0.785 18 Q N -1.503 118.298 119.800 0.002 0.000 2.365 18 Q HA 0.077 4.416 4.340 -0.003 0.000 0.203 18 Q C 0.051 176.060 176.000 0.015 0.000 0.929 18 Q CA 0.238 56.045 55.803 0.007 0.000 0.948 18 Q CB -0.442 28.299 28.738 0.005 0.000 1.043 18 Q HN 0.090 nan 8.270 nan 0.000 0.505 19 N N -0.379 118.334 118.700 0.021 0.000 2.573 19 N HA 0.236 4.974 4.740 -0.003 0.000 0.262 19 N C -2.412 173.123 175.510 0.043 0.000 1.029 19 N CA -2.148 50.920 53.050 0.031 0.000 0.882 19 N CB 1.462 39.969 38.487 0.033 0.000 1.204 19 N HN -0.241 nan 8.380 nan 0.000 0.519 20 P HA -0.088 nan 4.420 nan 0.000 0.218 20 P C 1.097 178.435 177.300 0.064 0.000 1.146 20 P CA 0.977 64.106 63.100 0.049 0.000 0.813 20 P CB 0.330 32.054 31.700 0.040 0.000 0.778 21 L N -0.688 120.570 121.223 0.059 0.000 2.376 21 L HA -0.081 4.257 4.340 -0.003 0.000 0.219 21 L C 1.679 178.601 176.870 0.087 0.000 1.133 21 L CA 1.272 56.149 54.840 0.063 0.000 0.816 21 L CB -0.626 41.462 42.059 0.048 0.000 0.933 21 L HN 0.111 nan 8.230 nan 0.000 0.449 22 E N -0.139 120.124 120.200 0.105 0.000 2.498 22 E HA 0.128 4.476 4.350 -0.003 0.000 0.203 22 E C 1.199 177.952 176.600 0.254 0.000 1.013 22 E CA -0.051 56.445 56.400 0.160 0.000 0.927 22 E CB 0.545 30.326 29.700 0.136 0.000 1.012 22 E HN 0.386 nan 8.360 nan 0.000 0.482 23 G N 1.140 110.050 108.800 0.184 0.000 2.516 23 G HA2 0.221 4.180 3.960 -0.003 0.000 0.276 23 G HA3 0.221 4.180 3.960 -0.003 0.000 0.276 23 G C 0.022 175.042 174.900 0.201 0.000 1.390 23 G CA -0.554 44.656 45.100 0.184 0.000 1.050 23 G HN -0.021 nan 8.290 nan 0.000 0.519 24 V N 0.716 120.697 119.914 0.111 0.000 2.508 24 V HA 0.250 4.369 4.120 -0.003 0.000 0.281 24 V C 0.339 176.545 176.094 0.186 0.000 1.041 24 V CA 0.207 62.520 62.300 0.022 0.000 1.016 24 V CB 0.745 32.551 31.823 -0.028 0.000 0.984 24 V HN 0.579 nan 8.190 nan 0.000 0.478 25 R N 4.918 125.654 120.500 0.393 0.000 2.477 25 R HA 0.311 4.650 4.340 -0.003 0.000 0.285 25 R C -1.005 175.458 176.300 0.271 0.000 1.415 25 R CA -0.358 55.903 56.100 0.269 0.000 1.446 25 R CB 0.797 31.190 30.300 0.155 0.000 1.110 25 R HN 0.574 nan 8.270 nan 0.000 0.590 26 F N 2.091 122.122 119.950 0.134 0.000 2.509 26 F HA 0.256 4.781 4.527 -0.003 0.000 0.350 26 F C 1.100 176.939 175.800 0.065 0.000 1.220 26 F CA 0.169 58.231 58.000 0.104 0.000 1.151 26 F CB 0.495 39.525 39.000 0.050 0.000 1.379 26 F HN 0.485 nan 8.300 nan 0.000 0.610 27 G N 1.279 110.088 108.800 0.015 0.000 2.714 27 G HA2 0.116 4.074 3.960 -0.003 0.000 0.197 27 G HA3 0.116 4.074 3.960 -0.003 0.000 0.197 27 G C 1.080 175.997 174.900 0.028 0.000 1.449 27 G CA 0.321 45.442 45.100 0.035 0.000 1.065 27 G HN 0.452 nan 8.290 nan 0.000 0.575 28 T N -2.627 111.929 114.554 0.003 0.000 2.904 28 T HA -0.026 4.322 4.350 -0.003 0.000 0.267 28 T C 1.929 176.614 174.700 -0.025 0.000 1.059 28 T CA 1.740 63.837 62.100 -0.006 0.000 1.137 28 T CB -0.146 68.710 68.868 -0.020 0.000 0.879 28 T HN 0.153 nan 8.240 nan 0.000 0.467 29 S N 0.879 116.539 115.700 -0.066 0.000 2.660 29 S HA 0.554 5.022 4.470 -0.003 0.000 0.227 29 S C 1.272 175.761 174.600 -0.185 0.000 0.948 29 S CA -0.065 58.077 58.200 -0.096 0.000 0.948 29 S CB -0.538 62.603 63.200 -0.098 0.000 0.779 29 S HN 1.107 nan 8.310 nan 0.000 0.487 30 G N 1.641 110.258 108.800 -0.305 0.000 2.512 30 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.240 30 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.240 30 G C -0.507 173.870 174.900 -0.871 0.000 1.246 30 G CA -0.253 44.323 45.100 -0.873 0.000 0.919 30 G HN 0.592 nan 8.290 nan 0.000 0.577 31 H N 1.468 120.029 119.070 -0.848 0.000 2.476 31 H HA 0.774 5.329 4.556 -0.003 0.000 0.328 31 H C 0.464 175.723 175.328 -0.115 0.000 1.073 31 H CA -0.542 55.299 56.048 -0.344 0.000 1.229 31 H CB 0.612 30.302 29.762 -0.119 0.000 1.432 31 H HN 0.631 nan 8.280 nan 0.000 0.477 32 R N 3.545 123.632 120.500 -0.688 0.000 2.750 32 R HA 0.689 5.027 4.340 -0.003 0.000 0.281 32 R C -0.740 175.239 176.300 -0.535 0.000 0.972 32 R CA -0.741 55.059 56.100 -0.500 0.000 0.912 32 R CB 2.362 32.461 30.300 -0.335 0.000 1.187 32 R HN 0.860 nan 8.270 nan 0.000 0.464 33 G N -0.130 108.484 108.800 -0.310 0.000 2.427 33 G HA2 0.345 4.303 3.960 -0.003 0.000 0.306 33 G HA3 0.345 4.303 3.960 -0.003 0.000 0.306 33 G C -1.680 173.221 174.900 0.001 0.000 1.280 33 G CA -0.359 44.673 45.100 -0.112 0.000 0.837 33 G HN 0.437 nan 8.290 nan 0.000 0.482 34 S N -1.762 114.008 115.700 0.118 0.000 2.564 34 S HA 0.606 5.074 4.470 -0.003 0.000 0.274 34 S C 1.315 176.053 174.600 0.230 0.000 1.124 34 S CA 0.651 58.943 58.200 0.153 0.000 0.869 34 S CB 1.633 64.877 63.200 0.073 0.000 1.105 34 S HN 1.675 nan 8.310 nan 0.000 0.472 35 S N 3.307 119.164 115.700 0.261 0.000 2.414 35 S HA 0.024 4.492 4.470 -0.003 0.000 0.227 35 S C 1.775 176.464 174.600 0.150 0.000 1.022 35 S CA 0.486 58.824 58.200 0.230 0.000 0.958 35 S CB -0.773 62.586 63.200 0.265 0.000 0.797 35 S HN 0.699 nan 8.310 nan 0.000 0.493 36 L N 0.365 121.664 121.223 0.126 0.000 2.349 36 L HA 0.023 4.361 4.340 -0.003 0.000 0.220 36 L C 1.780 178.698 176.870 0.079 0.000 1.130 36 L CA 1.205 56.099 54.840 0.090 0.000 0.791 36 L CB -0.519 41.583 42.059 0.072 0.000 0.918 36 L HN 0.329 nan 8.230 nan 0.000 0.444 37 K N -0.670 119.785 120.400 0.092 0.000 2.501 37 K HA 0.362 4.680 4.320 -0.003 0.000 0.204 37 K C 0.829 177.491 176.600 0.103 0.000 1.067 37 K CA 0.430 56.765 56.287 0.081 0.000 1.060 37 K CB 1.073 33.612 32.500 0.065 0.000 0.873 37 K HN 0.079 nan 8.250 nan 0.000 0.540 38 A N 1.423 124.318 122.820 0.125 0.000 2.798 38 A HA -0.237 4.081 4.320 -0.003 0.000 0.282 38 A C 1.341 179.081 177.584 0.259 0.000 1.464 38 A CA 1.757 53.885 52.037 0.151 0.000 0.844 38 A CB -2.600 16.460 19.000 0.099 0.000 1.006 38 A HN 0.512 nan 8.150 nan 0.000 0.577 39 T N -4.927 109.759 114.554 0.220 0.000 3.014 39 T HA 0.493 4.841 4.350 -0.003 0.000 0.250 39 T C 0.199 174.920 174.700 0.034 0.000 1.060 39 T CA 0.837 63.027 62.100 0.150 0.000 1.040 39 T CB 0.116 69.028 68.868 0.072 0.000 0.971 39 T HN 1.194 nan 8.240 nan 0.000 0.497 40 F N 3.230 123.230 119.950 0.083 0.000 2.646 40 F HA 0.556 5.082 4.527 -0.002 0.000 0.364 40 F C -0.437 175.553 175.800 0.317 0.000 1.137 40 F CA -0.642 57.462 58.000 0.174 0.000 1.085 40 F CB 1.270 40.355 39.000 0.140 0.000 1.331 40 F HN 0.239 nan 8.300 nan 0.000 0.472 41 T N 0.060 114.647 114.554 0.055 0.000 2.865 41 T HA 0.276 4.624 4.350 -0.003 0.000 0.294 41 T C 0.800 174.993 174.700 -0.846 0.000 1.119 41 T CA -0.580 61.246 62.100 -0.456 0.000 1.007 41 T CB 1.705 70.401 68.868 -0.287 0.000 1.225 41 T HN 0.573 nan 8.240 nan 0.000 0.515 42 E N 0.318 119.631 120.200 -1.478 0.000 2.171 42 E HA -0.228 4.120 4.350 -0.003 0.000 0.197 42 E C 2.112 178.460 176.600 -0.420 0.000 0.997 42 E CA 1.578 57.433 56.400 -0.909 0.000 0.810 42 E CB -0.497 28.777 29.700 -0.710 0.000 0.738 42 E HN 0.741 nan 8.360 nan 0.000 0.467 43 A N 1.049 123.611 122.820 -0.431 0.000 1.902 43 A HA -0.212 4.106 4.320 -0.003 0.000 0.217 43 A C 1.958 179.337 177.584 -0.341 0.000 1.181 43 A CA 1.621 53.445 52.037 -0.355 0.000 0.623 43 A CB -0.811 17.942 19.000 -0.411 0.000 0.818 43 A HN 0.386 nan 8.150 nan 0.000 0.443 44 H N -0.421 118.482 119.070 -0.279 0.000 2.290 44 H HA -0.108 4.446 4.556 -0.003 0.000 0.298 44 H C 2.379 177.570 175.328 -0.228 0.000 1.087 44 H CA 1.915 57.791 56.048 -0.287 0.000 1.291 44 H CB -0.779 28.777 29.762 -0.342 0.000 1.369 44 H HN 0.287 nan 8.280 nan 0.000 0.492 45 V N 1.432 121.313 119.914 -0.056 0.000 2.343 45 V HA -0.236 3.882 4.120 -0.003 0.000 0.247 45 V C 2.946 179.061 176.094 0.036 0.000 1.051 45 V CA 1.378 63.745 62.300 0.112 0.000 1.036 45 V CB -0.822 31.105 31.823 0.174 0.000 0.654 45 V HN 0.198 nan 8.190 nan 0.000 0.451 46 L N 0.185 121.374 121.223 -0.056 0.000 2.012 46 L HA -0.225 4.113 4.340 -0.003 0.000 0.210 46 L C 2.748 179.556 176.870 -0.104 0.000 1.073 46 L CA 1.885 56.675 54.840 -0.082 0.000 0.748 46 L CB -0.798 41.204 42.059 -0.096 0.000 0.891 46 L HN 0.368 nan 8.230 nan 0.000 0.431 47 A N -0.094 122.651 122.820 -0.124 0.000 1.902 47 A HA -0.169 4.149 4.320 -0.003 0.000 0.217 47 A C 2.186 179.668 177.584 -0.169 0.000 1.181 47 A CA 1.634 53.590 52.037 -0.135 0.000 0.623 47 A CB -0.644 18.273 19.000 -0.140 0.000 0.818 47 A HN 0.391 nan 8.150 nan 0.000 0.443 48 I N -0.501 119.940 120.570 -0.215 0.000 2.233 48 I HA -0.185 3.984 4.170 -0.003 0.000 0.243 48 I C 2.971 178.904 176.117 -0.308 0.000 1.093 48 I CA 0.903 61.978 61.300 -0.374 0.000 1.380 48 I CB -0.402 37.179 38.000 -0.697 0.000 1.067 48 I HN 0.321 nan 8.210 nan 0.000 0.413 49 A N 0.368 123.101 122.820 -0.145 0.000 1.908 49 A HA -0.313 4.006 4.320 -0.003 0.000 0.218 49 A C 2.252 179.731 177.584 -0.175 0.000 1.181 49 A CA 2.211 54.163 52.037 -0.142 0.000 0.627 49 A CB -0.673 18.070 19.000 -0.428 0.000 0.818 49 A HN 0.444 nan 8.150 nan 0.000 0.445 50 Q N -0.255 119.449 119.800 -0.160 0.000 2.119 50 Q HA 0.029 4.368 4.340 -0.003 0.000 0.201 50 Q C 2.013 177.912 176.000 -0.168 0.000 0.972 50 Q CA 1.998 57.726 55.803 -0.125 0.000 0.847 50 Q CB -0.580 28.119 28.738 -0.064 0.000 0.903 50 Q HN 0.548 nan 8.270 nan 0.000 0.433 51 A N 0.274 122.988 122.820 -0.177 0.000 1.877 51 A HA -0.137 4.181 4.320 -0.003 0.000 0.216 51 A C 2.134 179.573 177.584 -0.243 0.000 1.186 51 A CA 1.545 53.457 52.037 -0.208 0.000 0.620 51 A CB -0.767 18.092 19.000 -0.234 0.000 0.822 51 A HN 0.470 nan 8.150 nan 0.000 0.443 52 I N -0.200 120.247 120.570 -0.205 0.000 2.286 52 I HA -0.271 3.897 4.170 -0.003 0.000 0.248 52 I C 2.930 178.948 176.117 -0.164 0.000 1.115 52 I CA 0.942 62.118 61.300 -0.206 0.000 1.392 52 I CB -0.279 37.680 38.000 -0.070 0.000 1.065 52 I HN 0.365 nan 8.210 nan 0.000 0.418 53 A N 0.444 123.215 122.820 -0.083 0.000 1.933 53 A HA -0.230 4.088 4.320 -0.003 0.000 0.218 53 A C 2.182 179.550 177.584 -0.361 0.000 1.175 53 A CA 1.767 53.660 52.037 -0.239 0.000 0.628 53 A CB -0.510 18.140 19.000 -0.584 0.000 0.814 53 A HN 0.459 nan 8.150 nan 0.000 0.444 54 E N -0.689 119.304 120.200 -0.344 0.000 2.216 54 E HA 0.034 4.382 4.350 -0.003 0.000 0.192 54 E C 1.555 177.964 176.600 -0.319 0.000 0.988 54 E CA 0.684 56.921 56.400 -0.273 0.000 0.834 54 E CB -0.064 29.513 29.700 -0.205 0.000 0.772 54 E HN 0.632 nan 8.360 nan 0.000 0.479 55 L N -0.097 120.849 121.223 -0.462 0.000 2.513 55 L HA 0.136 4.474 4.340 -0.003 0.000 0.222 55 L C 2.068 178.345 176.870 -0.989 0.000 1.096 55 L CA -0.024 54.337 54.840 -0.797 0.000 0.857 55 L CB -0.020 41.388 42.059 -1.085 0.000 1.026 55 L HN -0.046 nan 8.230 nan 0.000 0.469 56 R N 0.778 120.940 120.500 -0.562 0.000 2.134 56 R HA -0.222 4.117 4.340 -0.003 0.000 0.248 56 R C -0.414 175.795 176.300 -0.151 0.000 1.143 56 R CA 1.935 57.895 56.100 -0.232 0.000 0.957 56 R CB -1.934 28.311 30.300 -0.091 0.000 0.867 56 R HN 0.306 nan 8.270 nan 0.000 0.441 57 P HA -0.208 nan 4.420 nan 0.000 0.215 57 P C 1.477 178.738 177.300 -0.065 0.000 1.157 57 P CA 2.158 65.205 63.100 -0.089 0.000 0.874 57 P CB -0.091 31.550 31.700 -0.098 0.000 0.790 58 S N -1.951 113.657 115.700 -0.154 0.000 2.423 58 S HA -0.105 4.363 4.470 -0.003 0.000 0.231 58 S C 1.541 176.236 174.600 0.157 0.000 1.014 58 S CA 0.932 59.102 58.200 -0.051 0.000 0.965 58 S CB -1.449 61.681 63.200 -0.117 0.000 0.785 58 S HN -0.062 nan 8.310 nan 0.000 0.495 59 F N 2.382 122.344 119.950 0.020 0.000 2.802 59 F HA 0.376 4.902 4.527 -0.003 0.000 0.300 59 F C 2.103 177.939 175.800 0.061 0.000 1.168 59 F CA -0.735 57.300 58.000 0.058 0.000 1.433 59 F CB -1.163 37.907 39.000 0.117 0.000 1.115 59 F HN 0.434 nan 8.300 nan 0.000 0.582 60 G N 0.095 109.018 108.800 0.206 0.000 2.136 60 G HA2 -0.067 3.891 3.960 -0.003 0.000 0.242 60 G HA3 -0.067 3.891 3.960 -0.003 0.000 0.242 60 G C 0.230 175.202 174.900 0.121 0.000 0.989 60 G CA 0.023 45.202 45.100 0.132 0.000 0.682 60 G HN 0.690 nan 8.290 nan 0.000 0.522 61 A N 0.437 123.337 122.820 0.134 0.000 2.256 61 A HA 0.821 5.139 4.320 -0.003 0.000 0.317 61 A C 0.949 178.560 177.584 0.044 0.000 1.318 61 A CA 0.767 52.866 52.037 0.104 0.000 0.894 61 A CB 0.801 19.894 19.000 0.156 0.000 1.165 61 A HN 1.470 nan 8.150 nan 0.000 0.525 62 T N -0.511 114.062 114.554 0.032 0.000 3.170 62 T HA 0.479 4.827 4.350 -0.003 0.000 0.288 62 T C 0.718 175.413 174.700 -0.009 0.000 0.992 62 T CA 0.485 62.589 62.100 0.006 0.000 0.909 62 T CB 0.082 68.959 68.868 0.016 0.000 1.133 62 T HN 0.883 nan 8.240 nan 0.000 0.530 63 G N 1.815 110.603 108.800 -0.020 0.000 3.008 63 G HA2 0.722 4.681 3.960 -0.003 0.000 0.181 63 G HA3 0.722 4.681 3.960 -0.003 0.000 0.181 63 G C -2.859 171.930 174.900 -0.186 0.000 1.309 63 G CA -1.786 43.273 45.100 -0.070 0.000 1.009 63 G HN 0.168 nan 8.290 nan 0.000 0.584 64 P HA 0.302 nan 4.420 nan 0.000 0.270 64 P C -0.748 176.271 177.300 -0.468 0.000 1.223 64 P CA -0.209 62.584 63.100 -0.511 0.000 0.785 64 P CB 0.910 32.096 31.700 -0.856 0.000 0.923 65 L N 2.294 123.227 121.223 -0.485 0.000 2.325 65 L HA 0.514 4.852 4.340 -0.003 0.000 0.281 65 L C -1.225 175.407 176.870 -0.398 0.000 1.004 65 L CA -0.752 53.874 54.840 -0.356 0.000 0.823 65 L CB 0.392 42.191 42.059 -0.434 0.000 1.236 65 L HN 0.143 nan 8.230 nan 0.000 0.415 66 F N 5.693 125.553 119.950 -0.149 0.000 2.390 66 F HA 0.337 4.862 4.527 -0.003 0.000 0.361 66 F C 0.016 175.851 175.800 0.058 0.000 1.124 66 F CA -0.220 57.761 58.000 -0.031 0.000 1.149 66 F CB 1.292 40.292 39.000 0.000 0.000 1.160 66 F HN 0.331 nan 8.300 nan 0.000 0.501 67 L N 3.909 125.288 121.223 0.259 0.000 2.325 67 L HA 0.849 5.187 4.340 -0.003 0.000 0.279 67 L C -0.410 176.680 176.870 0.366 0.000 1.054 67 L CA -0.245 54.749 54.840 0.256 0.000 0.804 67 L CB 1.139 43.309 42.059 0.186 0.000 1.200 67 L HN 0.666 nan 8.230 nan 0.000 0.436 68 A N 4.351 127.340 122.820 0.282 0.000 2.594 68 A HA 0.793 5.111 4.320 -0.003 0.000 0.295 68 A C -1.641 176.056 177.584 0.188 0.000 1.071 68 A CA -0.721 51.414 52.037 0.163 0.000 0.685 68 A CB 1.523 20.467 19.000 -0.093 0.000 1.285 68 A HN 0.682 nan 8.150 nan 0.000 0.405 69 K N 0.599 121.062 120.400 0.106 0.000 2.508 69 K HA 0.684 5.002 4.320 -0.003 0.000 0.260 69 K C -1.278 175.384 176.600 0.102 0.000 0.949 69 K CA -0.701 55.653 56.287 0.111 0.000 0.834 69 K CB 2.132 34.692 32.500 0.099 0.000 1.365 69 K HN 0.673 nan 8.250 nan 0.000 0.437 70 D N 0.185 120.616 120.400 0.052 0.000 2.539 70 D HA 0.050 4.689 4.640 -0.003 0.000 0.280 70 D C 0.699 176.877 176.300 -0.203 0.000 1.208 70 D CA -0.237 53.745 54.000 -0.029 0.000 1.088 70 D CB 0.358 41.152 40.800 -0.010 0.000 1.149 70 D HN 0.640 nan 8.370 nan 0.000 0.596 71 T N -4.232 110.077 114.554 -0.409 0.000 3.169 71 T HA 0.093 4.441 4.350 -0.003 0.000 0.250 71 T C 0.194 174.693 174.700 -0.335 0.000 1.111 71 T CA -0.091 61.607 62.100 -0.669 0.000 1.010 71 T CB -0.949 67.507 68.868 -0.688 0.000 0.984 71 T HN 0.318 nan 8.240 nan 0.000 0.537 72 H N 1.079 120.018 119.070 -0.219 0.000 2.848 72 H HA 0.600 5.154 4.556 -0.003 0.000 0.317 72 H C 1.625 176.890 175.328 -0.105 0.000 1.046 72 H CA 0.350 56.307 56.048 -0.151 0.000 1.470 72 H CB 1.004 30.675 29.762 -0.151 0.000 1.483 72 H HN 0.244 nan 8.280 nan 0.000 0.548 73 A N 4.209 127.026 122.820 -0.006 0.000 1.881 73 A HA -0.242 4.076 4.320 -0.003 0.000 0.219 73 A C 2.123 179.723 177.584 0.025 0.000 1.215 73 A CA 1.767 53.811 52.037 0.011 0.000 0.648 73 A CB -0.901 18.106 19.000 0.012 0.000 0.832 73 A HN 0.776 nan 8.150 nan 0.000 0.455 74 L N 0.133 121.377 121.223 0.035 0.000 2.651 74 L HA -0.124 4.214 4.340 -0.003 0.000 0.236 74 L C 2.337 179.237 176.870 0.051 0.000 1.173 74 L CA 0.792 55.651 54.840 0.031 0.000 0.843 74 L CB -0.299 41.833 42.059 0.122 0.000 0.964 74 L HN 0.355 nan 8.230 nan 0.000 0.454 75 S N -0.744 114.986 115.700 0.050 0.000 2.425 75 S HA -0.119 4.349 4.470 -0.003 0.000 0.225 75 S C 1.709 176.383 174.600 0.123 0.000 1.024 75 S CA 0.560 58.815 58.200 0.092 0.000 0.951 75 S CB 0.197 63.442 63.200 0.074 0.000 0.796 75 S HN 0.394 nan 8.310 nan 0.000 0.498 76 E N 2.182 122.433 120.200 0.084 0.000 2.013 76 E HA -0.115 4.233 4.350 -0.003 0.000 0.202 76 E C -0.774 175.906 176.600 0.133 0.000 1.018 76 E CA 1.968 58.431 56.400 0.105 0.000 0.834 76 E CB -0.777 28.968 29.700 0.076 0.000 0.770 76 E HN 0.316 nan 8.360 nan 0.000 0.459 77 P HA -0.171 nan 4.420 nan 0.000 0.218 77 P C 0.934 178.194 177.300 -0.066 0.000 1.148 77 P CA 1.971 65.021 63.100 -0.084 0.000 0.822 77 P CB -0.071 31.318 31.700 -0.518 0.000 0.784 78 A N -0.784 121.979 122.820 -0.095 0.000 1.933 78 A HA -0.161 4.157 4.320 -0.003 0.000 0.218 78 A C 2.227 179.914 177.584 0.171 0.000 1.175 78 A CA 1.328 53.435 52.037 0.117 0.000 0.628 78 A CB -1.962 17.215 19.000 0.294 0.000 0.814 78 A HN 0.250 nan 8.150 nan 0.000 0.444 79 W N 0.661 121.976 121.300 0.024 0.000 2.355 79 W HA -0.128 4.531 4.660 -0.003 0.000 0.309 79 W C 2.470 179.024 176.519 0.059 0.000 1.206 79 W CA 2.273 59.642 57.345 0.039 0.000 1.284 79 W CB -0.239 29.250 29.460 0.050 0.000 1.145 79 W HN 0.353 nan 8.180 nan 0.000 0.502 80 A N -0.235 122.766 122.820 0.302 0.000 1.883 80 A HA -0.228 4.090 4.320 -0.003 0.000 0.217 80 A C 1.916 179.508 177.584 0.014 0.000 1.186 80 A CA 2.718 54.843 52.037 0.148 0.000 0.624 80 A CB -1.449 17.717 19.000 0.277 0.000 0.822 80 A HN 0.318 nan 8.150 nan 0.000 0.444 81 T N 0.330 114.935 114.554 0.084 0.000 2.708 81 T HA -0.042 4.306 4.350 -0.003 0.000 0.266 81 T C 2.239 176.886 174.700 -0.089 0.000 1.037 81 T CA 1.800 63.931 62.100 0.051 0.000 1.146 81 T CB -0.537 68.413 68.868 0.137 0.000 0.865 81 T HN 0.614 nan 8.240 nan 0.000 0.435 82 A N 1.322 124.063 122.820 -0.132 0.000 1.902 82 A HA -0.014 4.304 4.320 -0.003 0.000 0.217 82 A C 2.260 179.608 177.584 -0.394 0.000 1.181 82 A CA 1.369 53.208 52.037 -0.331 0.000 0.623 82 A CB -0.841 18.041 19.000 -0.198 0.000 0.818 82 A HN 0.404 nan 8.150 nan 0.000 0.443 83 L N 0.099 121.136 121.223 -0.310 0.000 2.046 83 L HA -0.114 4.224 4.340 -0.003 0.000 0.208 83 L C 2.451 179.227 176.870 -0.158 0.000 1.077 83 L CA 2.644 57.317 54.840 -0.279 0.000 0.747 83 L CB -0.863 40.795 42.059 -0.668 0.000 0.896 83 L HN 0.288 nan 8.230 nan 0.000 0.432 84 S N -0.988 114.617 115.700 -0.158 0.000 2.359 84 S HA -0.172 4.297 4.470 -0.003 0.000 0.224 84 S C 1.956 176.511 174.600 -0.076 0.000 1.035 84 S CA 1.527 59.675 58.200 -0.088 0.000 1.018 84 S CB -0.498 62.670 63.200 -0.053 0.000 0.876 84 S HN 0.368 nan 8.310 nan 0.000 0.448 85 V N 1.172 120.999 119.914 -0.144 0.000 2.307 85 V HA -0.127 3.991 4.120 -0.003 0.000 0.245 85 V C 2.004 178.126 176.094 0.047 0.000 1.045 85 V CA 1.593 63.829 62.300 -0.107 0.000 1.024 85 V CB -0.857 30.825 31.823 -0.235 0.000 0.651 85 V HN 0.371 nan 8.190 nan 0.000 0.449 86 F N 1.054 121.041 119.950 0.063 0.000 2.171 86 F HA -0.122 4.404 4.527 -0.003 0.000 0.300 86 F C 2.457 178.281 175.800 0.041 0.000 1.090 86 F CA 1.048 59.080 58.000 0.052 0.000 1.293 86 F CB -1.410 37.581 39.000 -0.016 0.000 1.013 86 F HN 0.111 nan 8.300 nan 0.000 0.486 87 A N -0.011 122.908 122.820 0.164 0.000 1.933 87 A HA -0.017 4.301 4.320 -0.003 0.000 0.218 87 A C 2.418 180.026 177.584 0.039 0.000 1.175 87 A CA 1.617 53.694 52.037 0.067 0.000 0.628 87 A CB -1.240 17.766 19.000 0.009 0.000 0.814 87 A HN 0.282 nan 8.150 nan 0.000 0.444 88 A N -1.592 121.236 122.820 0.014 0.000 2.070 88 A HA -0.144 4.175 4.320 -0.003 0.000 0.220 88 A C 1.700 179.186 177.584 -0.164 0.000 1.159 88 A CA 1.207 53.191 52.037 -0.089 0.000 0.656 88 A CB -0.731 18.180 19.000 -0.148 0.000 0.800 88 A HN 0.672 nan 8.150 nan 0.000 0.453 89 H N -1.112 117.971 119.070 0.021 0.000 2.517 89 H HA 0.232 4.787 4.556 -0.003 0.000 0.282 89 H C 1.619 176.951 175.328 0.007 0.000 1.023 89 H CA 0.442 56.501 56.048 0.018 0.000 1.169 89 H CB -0.076 29.714 29.762 0.046 0.000 1.454 89 H HN 0.602 nan 8.280 nan 0.000 0.556 90 G N 1.732 110.573 108.800 0.068 0.000 2.187 90 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.261 90 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.261 90 G C 0.381 175.296 174.900 0.025 0.000 1.000 90 G CA 0.195 45.314 45.100 0.031 0.000 0.718 90 G HN 0.389 nan 8.290 nan 0.000 0.519 91 I N 0.764 121.365 120.570 0.050 0.000 2.496 91 I HA 0.146 4.314 4.170 -0.003 0.000 0.285 91 I C 0.997 177.080 176.117 -0.057 0.000 1.080 91 I CA -0.193 61.100 61.300 -0.011 0.000 1.404 91 I CB 1.005 38.997 38.000 -0.013 0.000 1.403 91 I HN 0.201 nan 8.210 nan 0.000 0.539 92 E N 6.350 126.484 120.200 -0.110 0.000 2.217 92 E HA 0.198 4.547 4.350 -0.003 0.000 0.279 92 E C -1.248 175.226 176.600 -0.210 0.000 1.068 92 E CA -0.396 55.919 56.400 -0.142 0.000 0.882 92 E CB 0.809 30.407 29.700 -0.170 0.000 1.039 92 E HN 0.341 nan 8.360 nan 0.000 0.418 93 V N 6.367 126.184 119.914 -0.161 0.000 2.394 93 V HA 0.335 4.454 4.120 -0.003 0.000 0.282 93 V C 0.228 176.217 176.094 -0.175 0.000 1.031 93 V CA -0.825 61.366 62.300 -0.183 0.000 0.881 93 V CB 1.306 33.077 31.823 -0.087 0.000 0.982 93 V HN 0.595 nan 8.190 nan 0.000 0.451 94 R N 3.463 123.794 120.500 -0.282 0.000 2.349 94 R HA 0.697 5.035 4.340 -0.003 0.000 0.299 94 R C -0.468 175.890 176.300 0.096 0.000 1.027 94 R CA -0.303 55.672 56.100 -0.209 0.000 0.958 94 R CB 1.771 31.679 30.300 -0.653 0.000 1.047 94 R HN 0.676 nan 8.270 nan 0.000 0.468 95 V N -1.263 118.793 119.914 0.236 0.000 3.102 95 V HA 0.425 4.543 4.120 -0.003 0.000 0.312 95 V C -0.120 176.240 176.094 0.443 0.000 1.135 95 V CA -1.318 61.246 62.300 0.440 0.000 1.022 95 V CB 2.087 34.213 31.823 0.504 0.000 1.056 95 V HN 0.584 nan 8.190 nan 0.000 0.436 96 E N 1.674 122.162 120.200 0.479 0.000 2.606 96 E HA 0.345 4.693 4.350 -0.003 0.000 0.248 96 E C 0.862 177.567 176.600 0.176 0.000 1.005 96 E CA 0.978 57.596 56.400 0.363 0.000 0.946 96 E CB 0.998 30.793 29.700 0.158 0.000 0.928 96 E HN 0.979 nan 8.360 nan 0.000 0.494 97 A N 4.460 127.365 122.820 0.141 0.000 1.975 97 A HA -0.007 4.311 4.320 -0.003 0.000 0.215 97 A C 0.690 178.284 177.584 0.017 0.000 1.170 97 A CA 0.761 52.831 52.037 0.055 0.000 0.656 97 A CB 0.141 19.146 19.000 0.010 0.000 0.821 97 A HN 0.587 nan 8.150 nan 0.000 0.449 98 D N -0.677 119.736 120.400 0.021 0.000 2.381 98 D HA 0.466 5.104 4.640 -0.003 0.000 0.235 98 D C 0.506 176.790 176.300 -0.025 0.000 1.068 98 D CA 1.144 55.141 54.000 -0.004 0.000 0.832 98 D CB 0.856 41.658 40.800 0.003 0.000 1.101 98 D HN 0.681 nan 8.370 nan 0.000 0.515 99 G N 4.091 112.852 108.800 -0.065 0.000 2.796 99 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.226 99 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.226 99 G C 0.312 175.066 174.900 -0.243 0.000 1.381 99 G CA -0.097 44.925 45.100 -0.129 0.000 0.867 99 G HN 0.553 nan 8.290 nan 0.000 0.552 100 D N -0.858 119.243 120.400 -0.498 0.000 2.423 100 D HA 0.175 4.813 4.640 -0.003 0.000 0.208 100 D C 0.338 176.188 176.300 -0.750 0.000 1.068 100 D CA 0.856 54.419 54.000 -0.728 0.000 0.860 100 D CB 0.383 40.583 40.800 -1.001 0.000 0.992 100 D HN 0.332 nan 8.370 nan 0.000 0.504 101 Y N 0.444 120.665 120.300 -0.132 0.000 2.453 101 Y HA 0.488 5.036 4.550 -0.003 0.000 0.326 101 Y C 0.698 176.523 175.900 -0.125 0.000 1.186 101 Y CA -1.065 56.955 58.100 -0.132 0.000 1.200 101 Y CB 1.671 40.066 38.460 -0.107 0.000 1.247 101 Y HN -0.379 nan 8.280 nan 0.000 0.482 102 T N 2.590 117.142 114.554 -0.002 0.000 3.293 102 T HA 0.452 4.800 4.350 -0.003 0.000 0.320 102 T C -3.188 171.388 174.700 -0.206 0.000 0.995 102 T CA -2.011 59.987 62.100 -0.171 0.000 1.041 102 T CB 0.908 69.532 68.868 -0.406 0.000 1.058 102 T HN 0.230 nan 8.240 nan 0.000 0.453 103 P HA 0.145 nan 4.420 nan 0.000 0.265 103 P C 1.124 178.288 177.300 -0.227 0.000 1.187 103 P CA 0.003 62.979 63.100 -0.208 0.000 0.766 103 P CB 0.494 32.037 31.700 -0.261 0.000 0.820 104 T N 4.609 119.055 114.554 -0.178 0.000 2.624 104 T HA -0.132 4.217 4.350 -0.003 0.000 0.268 104 T C -0.705 173.884 174.700 -0.185 0.000 1.041 104 T CA 2.272 64.272 62.100 -0.167 0.000 1.159 104 T CB -1.826 66.955 68.868 -0.145 0.000 0.863 104 T HN 0.581 nan 8.240 nan 0.000 0.434 105 P HA -0.059 nan 4.420 nan 0.000 0.216 105 P C 1.506 178.714 177.300 -0.154 0.000 1.150 105 P CA 1.032 64.031 63.100 -0.168 0.000 0.843 105 P CB -0.214 31.406 31.700 -0.134 0.000 0.787 106 L N -0.800 120.297 121.223 -0.209 0.000 2.131 106 L HA -0.132 4.206 4.340 -0.003 0.000 0.210 106 L C 2.796 179.638 176.870 -0.047 0.000 1.092 106 L CA 1.476 56.256 54.840 -0.101 0.000 0.759 106 L CB -1.332 40.620 42.059 -0.178 0.000 0.903 106 L HN -0.169 nan 8.230 nan 0.000 0.435 107 V N -1.976 117.829 119.914 -0.182 0.000 2.379 107 V HA -0.248 3.870 4.120 -0.003 0.000 0.245 107 V C 2.602 178.576 176.094 -0.200 0.000 1.044 107 V CA 1.691 63.897 62.300 -0.155 0.000 1.036 107 V CB -0.457 31.271 31.823 -0.158 0.000 0.664 107 V HN 0.508 nan 8.190 nan 0.000 0.453 108 S N 0.072 115.661 115.700 -0.185 0.000 2.365 108 S HA -0.244 4.224 4.470 -0.003 0.000 0.225 108 S C 1.999 176.454 174.600 -0.241 0.000 1.039 108 S CA 2.263 60.343 58.200 -0.199 0.000 1.033 108 S CB -0.417 62.670 63.200 -0.188 0.000 0.887 108 S HN 0.432 nan 8.310 nan 0.000 0.447 109 L N 1.851 122.919 121.223 -0.258 0.000 2.012 109 L HA 0.056 4.394 4.340 -0.003 0.000 0.210 109 L C 2.485 179.225 176.870 -0.217 0.000 1.073 109 L CA 2.248 56.908 54.840 -0.299 0.000 0.748 109 L CB -1.300 40.574 42.059 -0.309 0.000 0.891 109 L HN 0.326 nan 8.230 nan 0.000 0.431 110 A N -0.202 122.465 122.820 -0.255 0.000 1.908 110 A HA -0.210 4.108 4.320 -0.003 0.000 0.218 110 A C 2.275 179.481 177.584 -0.630 0.000 1.181 110 A CA 2.241 53.965 52.037 -0.523 0.000 0.627 110 A CB -0.908 17.445 19.000 -1.078 0.000 0.818 110 A HN 0.548 nan 8.150 nan 0.000 0.445 111 I N -0.577 119.661 120.570 -0.552 0.000 2.142 111 I HA -0.262 3.906 4.170 -0.003 0.000 0.240 111 I C 2.480 178.565 176.117 -0.054 0.000 1.078 111 I CA 1.231 62.386 61.300 -0.241 0.000 1.343 111 I CB -0.459 37.443 38.000 -0.163 0.000 1.046 111 I HN 0.297 nan 8.210 nan 0.000 0.405 112 L N 0.347 121.512 121.223 -0.096 0.000 1.990 112 L HA -0.267 4.072 4.340 -0.003 0.000 0.213 112 L C 2.666 179.552 176.870 0.028 0.000 1.072 112 L CA 1.532 56.344 54.840 -0.047 0.000 0.755 112 L CB -0.547 41.449 42.059 -0.106 0.000 0.889 112 L HN 0.243 nan 8.230 nan 0.000 0.432 113 E N -0.554 119.663 120.200 0.028 0.000 2.077 113 E HA -0.273 4.075 4.350 -0.003 0.000 0.193 113 E C 2.038 178.792 176.600 0.256 0.000 0.989 113 E CA 1.599 58.079 56.400 0.133 0.000 0.800 113 E CB -0.108 29.642 29.700 0.084 0.000 0.746 113 E HN 0.471 nan 8.360 nan 0.000 0.452 114 H N -0.208 118.948 119.070 0.144 0.000 2.326 114 H HA 0.021 4.576 4.556 -0.003 0.000 0.301 114 H C 1.369 176.870 175.328 0.288 0.000 1.081 114 H CA 1.924 58.136 56.048 0.272 0.000 1.334 114 H CB -0.045 29.860 29.762 0.239 0.000 1.385 114 H HN 0.105 nan 8.280 nan 0.000 0.504 115 N N 0.122 118.977 118.700 0.259 0.000 2.573 115 N HA -0.032 4.706 4.740 -0.003 0.000 0.187 115 N C 1.115 176.655 175.510 0.049 0.000 1.107 115 N CA 0.864 54.008 53.050 0.157 0.000 0.918 115 N CB -0.093 38.471 38.487 0.130 0.000 0.966 115 N HN 0.503 nan 8.380 nan 0.000 0.448 116 A N -0.780 122.061 122.820 0.035 0.000 2.275 116 A HA 0.104 4.423 4.320 -0.003 0.000 0.212 116 A C 0.498 177.826 177.584 -0.427 0.000 1.201 116 A CA 0.397 52.344 52.037 -0.150 0.000 0.843 116 A CB -0.085 18.828 19.000 -0.146 0.000 0.873 116 A HN 0.278 nan 8.150 nan 0.000 0.492 117 H N -1.647 117.345 119.070 -0.131 0.000 3.230 117 H HA 0.311 4.865 4.556 -0.003 0.000 0.259 117 H C -0.471 174.520 175.328 -0.561 0.000 1.195 117 H CA -0.260 55.611 56.048 -0.294 0.000 1.112 117 H CB 0.357 29.929 29.762 -0.317 0.000 1.638 117 H HN 0.441 nan 8.280 nan 0.000 0.624 118 H N -0.497 118.503 119.070 -0.117 0.000 2.980 118 H HA 0.204 4.758 4.556 -0.003 0.000 0.367 118 H C 0.257 175.560 175.328 -0.042 0.000 1.206 118 H CA -0.464 55.508 56.048 -0.128 0.000 1.126 118 H CB 2.226 31.785 29.762 -0.339 0.000 1.838 118 H HN 0.114 nan 8.280 nan 0.000 0.552 119 E N 0.788 121.069 120.200 0.135 0.000 2.216 119 E HA 0.099 4.447 4.350 -0.003 0.000 0.192 119 E C 0.516 177.179 176.600 0.106 0.000 0.973 119 E CA 0.149 56.602 56.400 0.090 0.000 0.851 119 E CB 0.391 30.129 29.700 0.064 0.000 0.804 119 E HN 0.527 nan 8.360 nan 0.000 0.477 120 A N 2.460 125.359 122.820 0.133 0.000 2.415 120 A HA 0.222 4.540 4.320 -0.003 0.000 0.309 120 A C -0.179 177.507 177.584 0.169 0.000 1.356 120 A CA -0.378 51.728 52.037 0.115 0.000 0.998 120 A CB -0.129 18.922 19.000 0.085 0.000 1.145 120 A HN -0.197 nan 8.150 nan 0.000 0.545 121 K N 1.392 121.878 120.400 0.142 0.000 2.382 121 K HA 0.464 4.782 4.320 -0.003 0.000 0.275 121 K C 0.482 177.162 176.600 0.134 0.000 1.009 121 K CA 0.644 57.034 56.287 0.172 0.000 0.970 121 K CB 0.828 33.402 32.500 0.122 0.000 0.934 121 K HN 0.742 nan 8.250 nan 0.000 0.479 122 A N 2.130 125.048 122.820 0.164 0.000 2.282 122 A HA 0.590 4.908 4.320 -0.003 0.000 0.319 122 A C -0.591 177.046 177.584 0.089 0.000 1.121 122 A CA -0.491 51.585 52.037 0.065 0.000 0.836 122 A CB 0.480 19.512 19.000 0.053 0.000 1.146 122 A HN 0.815 nan 8.150 nan 0.000 0.494 123 D N -1.105 119.340 120.400 0.076 0.000 2.781 123 D HA 0.739 5.377 4.640 -0.003 0.000 0.295 123 D C -0.172 176.169 176.300 0.068 0.000 1.143 123 D CA -0.044 53.972 54.000 0.027 0.000 1.076 123 D CB 0.934 41.779 40.800 0.075 0.000 1.444 123 D HN 0.892 nan 8.370 nan 0.000 0.567 124 G N -1.642 107.138 108.800 -0.034 0.000 2.690 124 G HA2 0.564 4.522 3.960 -0.003 0.000 0.293 124 G HA3 0.564 4.522 3.960 -0.003 0.000 0.293 124 G C -1.795 173.173 174.900 0.113 0.000 1.399 124 G CA -0.812 44.328 45.100 0.067 0.000 0.890 124 G HN 0.450 nan 8.290 nan 0.000 0.485 125 V N 0.684 120.693 119.914 0.158 0.000 2.525 125 V HA 0.555 4.673 4.120 -0.003 0.000 0.299 125 V C -0.906 175.250 176.094 0.104 0.000 1.034 125 V CA -0.549 61.887 62.300 0.228 0.000 0.863 125 V CB 1.451 33.440 31.823 0.277 0.000 0.999 125 V HN 0.614 nan 8.190 nan 0.000 0.423 126 L N 5.895 127.166 121.223 0.079 0.000 2.341 126 L HA 0.606 4.944 4.340 -0.003 0.000 0.278 126 L C -0.529 176.331 176.870 -0.017 0.000 1.005 126 L CA -0.257 54.599 54.840 0.027 0.000 0.818 126 L CB 1.733 43.797 42.059 0.009 0.000 1.259 126 L HN 0.438 nan 8.230 nan 0.000 0.418 127 L N 3.117 124.336 121.223 -0.006 0.000 2.288 127 L HA 0.678 5.016 4.340 -0.003 0.000 0.283 127 L C 0.097 176.955 176.870 -0.020 0.000 1.072 127 L CA 0.093 54.934 54.840 0.002 0.000 0.862 127 L CB 0.994 43.099 42.059 0.078 0.000 1.245 127 L HN 0.684 nan 8.230 nan 0.000 0.432 128 T N 3.600 118.105 114.554 -0.083 0.000 2.957 128 T HA 0.513 4.861 4.350 -0.003 0.000 0.336 128 T C -2.920 171.604 174.700 -0.294 0.000 1.462 128 T CA -0.967 61.017 62.100 -0.195 0.000 1.073 128 T CB 2.215 71.004 68.868 -0.131 0.000 1.319 128 T HN 0.199 nan 8.240 nan 0.000 0.485 133 P HA 0.131 nan 4.420 nan 0.000 0.271 133 P C -2.105 175.249 177.300 0.089 0.000 1.233 133 P CA -0.593 62.530 63.100 0.039 0.000 0.795 133 P CB 0.178 31.882 31.700 0.007 0.000 0.936 134 P HA -0.091 nan 4.420 nan 0.000 0.225 134 P C 1.001 178.326 177.300 0.042 0.000 1.148 134 P CA 1.324 64.413 63.100 -0.019 0.000 0.779 134 P CB -0.106 31.546 31.700 -0.080 0.000 0.780 135 E N -0.237 119.983 120.200 0.033 0.000 2.409 135 E HA -0.076 4.273 4.350 -0.003 0.000 0.198 135 E C 0.278 176.895 176.600 0.029 0.000 1.024 135 E CA 0.587 57.006 56.400 0.031 0.000 0.861 135 E CB -0.352 29.360 29.700 0.021 0.000 0.788 135 E HN 0.523 nan 8.360 nan 0.000 0.521 136 D N -1.104 119.299 120.400 0.005 0.000 2.636 136 D HA 0.529 5.168 4.640 -0.003 0.000 0.275 136 D C 0.015 176.148 176.300 -0.278 0.000 1.130 136 D CA -0.997 52.943 54.000 -0.100 0.000 1.031 136 D CB 0.841 41.564 40.800 -0.128 0.000 1.451 136 D HN -0.055 nan 8.370 nan 0.000 0.505 137 G N -2.488 105.931 108.800 -0.635 0.000 2.725 137 G HA2 0.742 4.700 3.960 -0.003 0.000 0.288 137 G HA3 0.742 4.700 3.960 -0.003 0.000 0.288 137 G C -0.895 173.233 174.900 -1.287 0.000 1.399 137 G CA -0.549 43.933 45.100 -1.031 0.000 0.859 137 G HN 0.724 nan 8.290 nan 0.000 0.479 138 G N -1.737 106.549 108.800 -0.857 0.000 2.708 138 G HA2 0.630 4.589 3.960 -0.003 0.000 0.289 138 G HA3 0.630 4.589 3.960 -0.003 0.000 0.289 138 G C -2.079 172.925 174.900 0.174 0.000 1.416 138 G CA -0.743 44.168 45.100 -0.314 0.000 0.829 138 G HN 0.853 nan 8.290 nan 0.000 0.480 139 F N 1.089 121.143 119.950 0.172 0.000 2.612 139 F HA 0.577 5.102 4.527 -0.003 0.000 0.332 139 F C -0.286 175.612 175.800 0.164 0.000 1.167 139 F CA -0.944 57.227 58.000 0.284 0.000 0.970 139 F CB 1.353 40.630 39.000 0.461 0.000 1.234 139 F HN 0.184 nan 8.300 nan 0.000 0.453 140 K N 4.816 125.552 120.400 0.559 0.000 2.208 140 K HA 0.366 4.684 4.320 -0.003 0.000 0.247 140 K C -1.903 175.113 176.600 0.694 0.000 0.953 140 K CA -1.098 55.465 56.287 0.460 0.000 0.837 140 K CB 2.798 35.401 32.500 0.172 0.000 1.131 140 K HN 0.550 nan 8.250 nan 0.000 0.431 141 Y N 1.238 121.847 120.300 0.515 0.000 2.391 141 Y HA 0.366 4.915 4.550 -0.003 0.000 0.341 141 Y C -1.476 174.549 175.900 0.209 0.000 0.965 141 Y CA -1.047 57.291 58.100 0.396 0.000 1.067 141 Y CB 1.500 40.191 38.460 0.385 0.000 1.199 141 Y HN 0.530 nan 8.280 nan 0.000 0.450 142 N N 8.274 126.662 118.700 -0.520 0.000 2.483 142 N HA 0.445 5.183 4.740 -0.003 0.000 0.267 142 N C -2.836 172.208 175.510 -0.777 0.000 0.998 142 N CA -1.993 50.778 53.050 -0.465 0.000 0.918 142 N CB 2.119 40.474 38.487 -0.221 0.000 1.215 142 N HN 0.348 nan 8.380 nan 0.000 0.500 143 P HA 0.215 nan 4.420 nan 0.000 0.288 143 P C -1.672 175.529 177.300 -0.165 0.000 1.291 143 P CA -0.910 61.963 63.100 -0.379 0.000 0.766 143 P CB 0.326 31.925 31.700 -0.170 0.000 1.242 144 P HA -0.135 nan 4.420 nan 0.000 0.228 144 P C 1.163 178.449 177.300 -0.023 0.000 1.151 144 P CA 1.592 64.693 63.100 0.003 0.000 0.770 144 P CB -0.755 30.977 31.700 0.053 0.000 0.786 145 T N -5.153 109.371 114.554 -0.050 0.000 2.962 145 T HA 0.038 4.386 4.350 -0.003 0.000 0.270 145 T C 1.796 176.453 174.700 -0.072 0.000 1.088 145 T CA 1.153 63.221 62.100 -0.054 0.000 1.127 145 T CB -1.088 67.745 68.868 -0.058 0.000 0.883 145 T HN 0.233 nan 8.240 nan 0.000 0.493 146 G N 0.342 109.085 108.800 -0.096 0.000 2.195 146 G HA2 -0.005 3.954 3.960 -0.003 0.000 0.246 146 G HA3 -0.005 3.954 3.960 -0.003 0.000 0.246 146 G C 0.352 175.186 174.900 -0.110 0.000 0.984 146 G CA -0.078 44.954 45.100 -0.114 0.000 0.633 146 G HN 1.107 nan 8.290 nan 0.000 0.525 147 G N -0.575 108.173 108.800 -0.086 0.000 3.013 147 G HA2 0.746 4.704 3.960 -0.003 0.000 0.278 147 G HA3 0.746 4.704 3.960 -0.003 0.000 0.278 147 G C -2.956 171.912 174.900 -0.052 0.000 1.353 147 G CA -1.309 43.766 45.100 -0.043 0.000 1.043 147 G HN 0.101 nan 8.290 nan 0.000 0.523 148 P HA 0.209 nan 4.420 nan 0.000 0.261 148 P C 0.123 177.407 177.300 -0.026 0.000 1.173 148 P CA 0.295 63.395 63.100 0.000 0.000 0.760 148 P CB 0.510 32.232 31.700 0.038 0.000 0.783 149 A N 3.707 126.527 122.820 -0.001 0.000 2.498 149 A HA 0.175 4.494 4.320 -0.003 0.000 0.239 149 A C 0.782 178.349 177.584 -0.029 0.000 1.068 149 A CA -0.211 51.819 52.037 -0.012 0.000 0.766 149 A CB -0.428 18.636 19.000 0.106 0.000 1.003 149 A HN 0.699 nan 8.150 nan 0.000 0.497 150 N N 1.585 120.242 118.700 -0.071 0.000 2.294 150 N HA 0.354 5.093 4.740 -0.003 0.000 0.248 150 N C 1.021 176.501 175.510 -0.052 0.000 1.300 150 N CA 0.270 53.272 53.050 -0.080 0.000 0.925 150 N CB 0.278 38.723 38.487 -0.069 0.000 1.188 150 N HN 0.567 nan 8.380 nan 0.000 0.512 151 A N -0.401 122.395 122.820 -0.039 0.000 1.933 151 A HA -0.121 4.198 4.320 -0.003 0.000 0.218 151 A C 2.159 179.738 177.584 -0.007 0.000 1.175 151 A CA 1.147 53.181 52.037 -0.004 0.000 0.628 151 A CB -0.620 18.388 19.000 0.013 0.000 0.814 151 A HN 0.568 nan 8.150 nan 0.000 0.444 152 R N 0.122 120.609 120.500 -0.022 0.000 2.082 152 R HA -0.043 4.296 4.340 -0.003 0.000 0.234 152 R C 1.962 178.226 176.300 -0.060 0.000 1.136 152 R CA 1.751 57.839 56.100 -0.021 0.000 0.935 152 R CB -0.928 29.364 30.300 -0.014 0.000 0.842 152 R HN 0.631 nan 8.270 nan 0.000 0.430 153 I N -0.523 119.942 120.570 -0.176 0.000 2.163 153 I HA -0.324 3.844 4.170 -0.003 0.000 0.243 153 I C 2.270 178.247 176.117 -0.233 0.000 1.085 153 I CA 1.813 62.856 61.300 -0.428 0.000 1.347 153 I CB -0.552 37.020 38.000 -0.714 0.000 1.044 153 I HN 0.264 nan 8.210 nan 0.000 0.408 154 T N 0.122 114.616 114.554 -0.099 0.000 2.720 154 T HA -0.243 4.105 4.350 -0.003 0.000 0.268 154 T C 2.044 176.745 174.700 0.001 0.000 1.037 154 T CA 1.753 63.860 62.100 0.012 0.000 1.144 154 T CB -0.127 68.844 68.868 0.172 0.000 0.864 154 T HN 0.135 nan 8.240 nan 0.000 0.444 155 R N 1.181 121.690 120.500 0.014 0.000 2.092 155 R HA 0.231 4.569 4.340 -0.003 0.000 0.231 155 R C 2.267 178.571 176.300 0.007 0.000 1.119 155 R CA 1.796 57.912 56.100 0.026 0.000 0.970 155 R CB -1.106 29.212 30.300 0.029 0.000 0.864 155 R HN 0.379 nan 8.270 nan 0.000 0.440 156 A N 0.549 123.378 122.820 0.015 0.000 1.873 156 A HA -0.038 4.280 4.320 -0.003 0.000 0.215 156 A C 2.314 179.889 177.584 -0.014 0.000 1.186 156 A CA 1.507 53.573 52.037 0.048 0.000 0.616 156 A CB -0.547 18.564 19.000 0.185 0.000 0.823 156 A HN 0.348 nan 8.150 nan 0.000 0.442 157 I N -0.594 119.926 120.570 -0.083 0.000 2.208 157 I HA -0.275 3.894 4.170 -0.003 0.000 0.245 157 I C 2.564 178.526 176.117 -0.258 0.000 1.097 157 I CA 1.849 62.983 61.300 -0.276 0.000 1.363 157 I CB -0.332 37.261 38.000 -0.678 0.000 1.051 157 I HN 0.541 nan 8.210 nan 0.000 0.413 158 E N 0.889 120.997 120.200 -0.154 0.000 2.031 158 E HA -0.239 4.109 4.350 -0.003 0.000 0.193 158 E C 2.107 178.688 176.600 -0.032 0.000 0.994 158 E CA 1.253 57.634 56.400 -0.032 0.000 0.800 158 E CB 0.165 29.909 29.700 0.073 0.000 0.752 158 E HN 0.339 nan 8.360 nan 0.000 0.447 159 E N 0.466 120.649 120.200 -0.028 0.000 2.031 159 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 159 E C 2.166 178.738 176.600 -0.046 0.000 0.994 159 E CA 1.051 57.436 56.400 -0.024 0.000 0.800 159 E CB -0.426 29.266 29.700 -0.014 0.000 0.752 159 E HN 0.087 nan 8.360 nan 0.000 0.447 160 R N 1.311 121.770 120.500 -0.068 0.000 2.091 160 R HA -0.084 4.255 4.340 -0.003 0.000 0.238 160 R C 2.072 178.314 176.300 -0.096 0.000 1.136 160 R CA 1.808 57.857 56.100 -0.086 0.000 0.959 160 R CB -0.816 29.417 30.300 -0.113 0.000 0.856 160 R HN 0.160 nan 8.270 nan 0.000 0.437 161 A N 0.357 123.108 122.820 -0.115 0.000 1.898 161 A HA -0.109 4.209 4.320 -0.003 0.000 0.216 161 A C 1.831 179.365 177.584 -0.083 0.000 1.181 161 A CA 1.629 53.594 52.037 -0.120 0.000 0.620 161 A CB -0.505 18.407 19.000 -0.147 0.000 0.819 161 A HN 0.437 nan 8.150 nan 0.000 0.442 162 N N 0.226 118.893 118.700 -0.055 0.000 2.354 162 N HA -0.008 4.730 4.740 -0.003 0.000 0.179 162 N C 1.856 177.341 175.510 -0.041 0.000 1.021 162 N CA 1.196 54.225 53.050 -0.036 0.000 0.887 162 N CB -0.408 38.074 38.487 -0.009 0.000 0.974 162 N HN 0.462 nan 8.380 nan 0.000 0.437 163 A N 1.605 124.398 122.820 -0.045 0.000 1.858 163 A HA -0.074 4.245 4.320 -0.003 0.000 0.216 163 A C 2.357 179.911 177.584 -0.050 0.000 1.190 163 A CA 0.930 52.942 52.037 -0.042 0.000 0.617 163 A CB -0.812 18.162 19.000 -0.043 0.000 0.827 163 A HN 0.181 nan 8.150 nan 0.000 0.443 164 L N -0.647 120.539 121.223 -0.062 0.000 1.989 164 L HA -0.236 4.102 4.340 -0.003 0.000 0.211 164 L C 2.660 179.488 176.870 -0.071 0.000 1.071 164 L CA 1.429 56.229 54.840 -0.066 0.000 0.749 164 L CB -0.735 41.277 42.059 -0.079 0.000 0.890 164 L HN 0.375 nan 8.230 nan 0.000 0.431 165 L N -0.736 120.438 121.223 -0.081 0.000 2.013 165 L HA -0.261 4.077 4.340 -0.003 0.000 0.212 165 L C 2.924 179.751 176.870 -0.071 0.000 1.073 165 L CA 1.226 56.011 54.840 -0.093 0.000 0.753 165 L CB -0.544 41.454 42.059 -0.101 0.000 0.890 165 L HN 0.398 nan 8.230 nan 0.000 0.432 166 Q N 0.242 120.011 119.800 -0.053 0.000 2.170 166 Q HA -0.204 4.134 4.340 -0.003 0.000 0.203 166 Q C 1.358 177.334 176.000 -0.040 0.000 0.976 166 Q CA 1.399 57.178 55.803 -0.040 0.000 0.858 166 Q CB -0.198 28.522 28.738 -0.029 0.000 0.907 166 Q HN 0.699 nan 8.270 nan 0.000 0.433 167 E N -0.756 119.418 120.200 -0.043 0.000 2.336 167 E HA 0.289 4.637 4.350 -0.003 0.000 0.214 167 E C 0.511 177.084 176.600 -0.045 0.000 1.144 167 E CA 0.264 56.641 56.400 -0.039 0.000 1.294 167 E CB -0.254 29.424 29.700 -0.036 0.000 1.263 167 E HN 0.229 nan 8.360 nan 0.000 0.439 168 G N 1.621 110.390 108.800 -0.052 0.000 2.200 168 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.267 168 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.267 168 G C 0.760 175.622 174.900 -0.062 0.000 0.993 168 G CA 0.545 45.611 45.100 -0.057 0.000 0.701 168 G HN 0.595 nan 8.290 nan 0.000 0.524 169 L N -3.015 118.169 121.223 -0.065 0.000 4.351 169 L HA -0.228 4.110 4.340 -0.003 0.000 0.410 169 L C 2.116 178.955 176.870 -0.051 0.000 1.150 169 L CA 1.224 56.024 54.840 -0.066 0.000 0.961 169 L CB -1.398 40.614 42.059 -0.078 0.000 2.130 169 L HN 0.274 nan 8.230 nan 0.000 0.787 170 K N 0.688 121.061 120.400 -0.045 0.000 2.211 170 K HA -0.051 4.267 4.320 -0.003 0.000 0.204 170 K C 1.768 178.348 176.600 -0.034 0.000 1.047 170 K CA 1.518 57.783 56.287 -0.037 0.000 0.935 170 K CB -0.224 32.256 32.500 -0.033 0.000 0.728 170 K HN 0.602 nan 8.250 nan 0.000 0.452 171 G N 0.576 109.356 108.800 -0.034 0.000 3.314 171 G HA2 0.164 4.122 3.960 -0.003 0.000 0.238 171 G HA3 0.164 4.122 3.960 -0.003 0.000 0.238 171 G C -0.115 174.775 174.900 -0.016 0.000 1.184 171 G CA -0.275 44.810 45.100 -0.026 0.000 0.806 171 G HN -0.029 nan 8.290 nan 0.000 0.536 172 V N 1.805 121.704 119.914 -0.026 0.000 2.350 172 V HA 0.336 4.454 4.120 -0.003 0.000 0.276 172 V C 0.154 176.231 176.094 -0.028 0.000 1.028 172 V CA -0.830 61.459 62.300 -0.018 0.000 0.860 172 V CB 1.005 32.803 31.823 -0.041 0.000 0.990 172 V HN 0.485 nan 8.190 nan 0.000 0.453 173 K N 6.577 126.961 120.400 -0.027 0.000 2.156 173 K HA 0.918 5.236 4.320 -0.003 0.000 0.254 173 K C -0.399 176.149 176.600 -0.086 0.000 0.950 173 K CA -0.976 55.258 56.287 -0.088 0.000 0.849 173 K CB 2.396 34.789 32.500 -0.178 0.000 1.100 173 K HN 0.759 nan 8.250 nan 0.000 0.434 174 R N 0.501 120.952 120.500 -0.082 0.000 2.829 174 R HA 0.537 4.875 4.340 -0.003 0.000 0.267 174 R C -1.656 174.610 176.300 -0.057 0.000 1.051 174 R CA -1.099 54.963 56.100 -0.064 0.000 0.927 174 R CB 0.576 30.849 30.300 -0.045 0.000 1.292 174 R HN 0.391 nan 8.270 nan 0.000 0.445 175 L N -0.068 121.129 121.223 -0.042 0.000 2.309 175 L HA 0.652 4.990 4.340 -0.003 0.000 0.261 175 L C -2.518 174.341 176.870 -0.019 0.000 1.021 175 L CA -2.339 52.482 54.840 -0.032 0.000 0.823 175 L CB 1.952 43.993 42.059 -0.030 0.000 1.366 175 L HN 0.589 nan 8.230 nan 0.000 0.423 176 P HA 0.130 nan 4.420 nan 0.000 0.275 176 P C 0.599 177.902 177.300 0.006 0.000 1.227 176 P CA -0.412 62.688 63.100 0.000 0.000 0.781 176 P CB 0.635 32.335 31.700 -0.000 0.000 0.906 177 L N 4.733 125.968 121.223 0.020 0.000 2.011 177 L HA -0.267 4.072 4.340 -0.003 0.000 0.225 177 L C 2.374 179.263 176.870 0.031 0.000 1.084 177 L CA 2.101 56.959 54.840 0.030 0.000 0.791 177 L CB -0.933 41.168 42.059 0.069 0.000 0.898 177 L HN 0.361 nan 8.230 nan 0.000 0.440 178 R N -0.633 119.888 120.500 0.035 0.000 2.113 178 R HA -0.243 4.095 4.340 -0.003 0.000 0.244 178 R C 2.216 178.530 176.300 0.023 0.000 1.142 178 R CA 2.322 58.443 56.100 0.034 0.000 0.953 178 R CB -0.315 30.000 30.300 0.026 0.000 0.860 178 R HN 0.636 nan 8.270 nan 0.000 0.438 179 E N -0.538 119.669 120.200 0.011 0.000 2.047 179 E HA -0.164 4.184 4.350 -0.003 0.000 0.191 179 E C 2.007 178.608 176.600 0.001 0.000 0.987 179 E CA 1.110 57.513 56.400 0.004 0.000 0.799 179 E CB -0.150 29.547 29.700 -0.004 0.000 0.752 179 E HN 0.506 nan 8.360 nan 0.000 0.449 180 A N 1.093 123.909 122.820 -0.007 0.000 1.933 180 A HA -0.172 4.146 4.320 -0.003 0.000 0.218 180 A C 2.130 179.705 177.584 -0.014 0.000 1.175 180 A CA 0.969 52.994 52.037 -0.021 0.000 0.628 180 A CB -0.457 18.515 19.000 -0.046 0.000 0.814 180 A HN 0.175 nan 8.150 nan 0.000 0.444 181 L N -0.433 120.797 121.223 0.010 0.000 2.083 181 L HA -0.057 4.281 4.340 -0.003 0.000 0.209 181 L C 2.725 179.626 176.870 0.051 0.000 1.083 181 L CA 1.896 56.767 54.840 0.051 0.000 0.752 181 L CB -0.724 41.391 42.059 0.093 0.000 0.899 181 L HN 0.365 nan 8.230 nan 0.000 0.433 182 A N -0.934 121.906 122.820 0.033 0.000 1.969 182 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 182 A C 2.365 179.960 177.584 0.019 0.000 1.169 182 A CA 1.297 53.350 52.037 0.027 0.000 0.635 182 A CB -0.420 18.591 19.000 0.019 0.000 0.810 182 A HN 0.450 nan 8.150 nan 0.000 0.445 183 R N -0.263 120.243 120.500 0.010 0.000 2.240 183 R HA 0.201 4.539 4.340 -0.003 0.000 0.203 183 R C 0.884 177.184 176.300 -0.000 0.000 1.011 183 R CA 0.372 56.472 56.100 0.001 0.000 1.007 183 R CB -0.298 29.999 30.300 -0.006 0.000 0.911 183 R HN 0.431 nan 8.270 nan 0.000 0.468 184 A N 2.302 125.129 122.820 0.012 0.000 2.524 184 A HA 0.043 4.361 4.320 -0.003 0.000 0.250 184 A C -0.176 177.428 177.584 0.033 0.000 1.078 184 A CA 0.180 52.230 52.037 0.022 0.000 0.761 184 A CB 0.257 19.294 19.000 0.061 0.000 1.012 184 A HN -0.011 nan 8.150 nan 0.000 0.500 185 K N 4.559 124.966 120.400 0.010 0.000 2.264 185 K HA 0.300 4.618 4.320 -0.003 0.000 0.277 185 K C -2.684 173.954 176.600 0.063 0.000 1.067 185 K CA -1.844 54.453 56.287 0.017 0.000 0.900 185 K CB 1.274 33.756 32.500 -0.030 0.000 1.124 185 K HN 0.518 nan 8.250 nan 0.000 0.469 186 P HA 0.088 nan 4.420 nan 0.000 0.268 186 P C -0.780 176.606 177.300 0.144 0.000 1.205 186 P CA -0.152 63.018 63.100 0.117 0.000 0.771 186 P CB 0.454 32.201 31.700 0.079 0.000 0.858 187 F N 2.054 121.975 119.950 -0.047 0.000 2.556 187 F HA 0.287 4.813 4.527 -0.003 0.000 0.314 187 F C -0.402 175.310 175.800 -0.146 0.000 1.106 187 F CA -0.987 56.927 58.000 -0.144 0.000 0.911 187 F CB 1.804 40.629 39.000 -0.291 0.000 1.190 187 F HN 0.117 nan 8.300 nan 0.000 0.448 188 D N 4.764 124.697 120.400 -0.778 0.000 2.522 188 D HA 0.116 4.755 4.640 -0.003 0.000 0.218 188 D C 0.643 176.642 176.300 -0.503 0.000 1.149 188 D CA 0.236 53.956 54.000 -0.467 0.000 0.981 188 D CB -0.100 40.493 40.800 -0.344 0.000 1.041 188 D HN 0.473 nan 8.370 nan 0.000 0.518 189 Y N 2.043 122.291 120.300 -0.088 0.000 2.030 189 Y HA -0.264 4.284 4.550 -0.003 0.000 0.274 189 Y C 2.527 178.449 175.900 0.037 0.000 1.153 189 Y CA 1.808 59.975 58.100 0.111 0.000 1.115 189 Y CB -0.693 37.871 38.460 0.172 0.000 0.969 189 Y HN 0.473 nan 8.280 nan 0.000 0.488 190 A N 0.183 123.111 122.820 0.180 0.000 1.948 190 A HA -0.205 4.113 4.320 -0.003 0.000 0.220 190 A C 2.580 180.227 177.584 0.105 0.000 1.177 190 A CA 2.011 54.111 52.037 0.105 0.000 0.636 190 A CB -1.645 17.380 19.000 0.042 0.000 0.815 190 A HN 0.545 nan 8.150 nan 0.000 0.449 191 G N -0.362 108.448 108.800 0.017 0.000 2.440 191 G HA2 -0.176 3.783 3.960 -0.003 0.000 0.218 191 G HA3 -0.176 3.783 3.960 -0.003 0.000 0.218 191 G C 1.467 176.373 174.900 0.011 0.000 1.154 191 G CA 1.261 46.350 45.100 -0.019 0.000 0.767 191 G HN 0.556 nan 8.290 nan 0.000 0.552 192 L N -1.065 120.160 121.223 0.003 0.000 2.156 192 L HA 0.174 4.512 4.340 -0.003 0.000 0.208 192 L C 2.406 179.354 176.870 0.130 0.000 1.095 192 L CA 1.256 56.128 54.840 0.054 0.000 0.770 192 L CB -0.517 41.594 42.059 0.088 0.000 0.914 192 L HN 0.324 nan 8.230 nan 0.000 0.439 193 Y N -1.092 119.248 120.300 0.065 0.000 2.220 193 Y HA -0.160 4.389 4.550 -0.003 0.000 0.291 193 Y C 2.321 178.300 175.900 0.133 0.000 1.129 193 Y CA 1.900 60.062 58.100 0.103 0.000 1.161 193 Y CB -0.119 38.373 38.460 0.054 0.000 0.997 193 Y HN -0.016 nan 8.280 nan 0.000 0.522 194 V N 0.506 120.581 119.914 0.267 0.000 2.469 194 V HA -0.292 3.826 4.120 -0.003 0.000 0.251 194 V C 2.256 178.485 176.094 0.225 0.000 1.064 194 V CA 2.327 64.771 62.300 0.241 0.000 1.066 194 V CB -0.552 31.367 31.823 0.161 0.000 0.667 194 V HN 0.477 nan 8.190 nan 0.000 0.461 195 E N -0.186 120.091 120.200 0.130 0.000 2.086 195 E HA -0.141 4.207 4.350 -0.003 0.000 0.190 195 E C 2.089 178.743 176.600 0.090 0.000 0.975 195 E CA 0.584 57.051 56.400 0.111 0.000 0.813 195 E CB 0.145 29.882 29.700 0.062 0.000 0.768 195 E HN 0.390 nan 8.360 nan 0.000 0.457 196 K N 0.561 121.001 120.400 0.067 0.000 2.305 196 K HA -0.001 4.318 4.320 -0.003 0.000 0.199 196 K C 2.019 178.624 176.600 0.009 0.000 1.047 196 K CA 0.266 56.608 56.287 0.091 0.000 0.976 196 K CB -0.239 32.353 32.500 0.153 0.000 0.765 196 K HN 0.088 nan 8.250 nan 0.000 0.474 197 V N 1.882 121.692 119.914 -0.173 0.000 2.594 197 V HA -0.165 3.953 4.120 -0.003 0.000 0.253 197 V C 1.960 177.823 176.094 -0.385 0.000 1.069 197 V CA 1.816 63.776 62.300 -0.567 0.000 1.082 197 V CB -0.494 31.010 31.823 -0.532 0.000 0.680 197 V HN 0.281 nan 8.190 nan 0.000 0.469 198 A N -0.887 121.828 122.820 -0.175 0.000 2.259 198 A HA -0.100 4.219 4.320 -0.003 0.000 0.212 198 A C 1.859 179.453 177.584 0.017 0.000 1.178 198 A CA 1.280 53.261 52.037 -0.094 0.000 0.734 198 A CB -0.304 18.682 19.000 -0.024 0.000 0.774 198 A HN 0.664 nan 8.150 nan 0.000 0.481 199 E N -1.338 118.837 120.200 -0.043 0.000 2.481 199 E HA 0.263 4.611 4.350 -0.003 0.000 0.198 199 E C 1.314 177.863 176.600 -0.085 0.000 1.027 199 E CA 0.726 57.165 56.400 0.065 0.000 0.900 199 E CB 0.491 30.231 29.700 0.067 0.000 0.993 199 E HN 0.588 nan 8.360 nan 0.000 0.482 200 A N 0.702 123.285 122.820 -0.395 0.000 2.226 200 A HA 0.204 4.523 4.320 -0.003 0.000 0.207 200 A C 0.759 177.942 177.584 -0.669 0.000 1.293 200 A CA 0.178 51.834 52.037 -0.636 0.000 0.968 200 A CB 0.758 19.209 19.000 -0.915 0.000 1.044 200 A HN 0.065 nan 8.150 nan 0.000 0.493 201 V N -1.751 117.955 119.914 -0.347 0.000 2.925 201 V HA 0.563 4.681 4.120 -0.003 0.000 0.311 201 V C -1.588 174.634 176.094 0.213 0.000 1.104 201 V CA -0.818 61.442 62.300 -0.067 0.000 0.954 201 V CB 2.023 33.851 31.823 0.008 0.000 1.022 201 V HN 0.121 nan 8.190 nan 0.000 0.427 202 D N 3.291 123.891 120.400 0.334 0.000 2.508 202 D HA 0.240 4.879 4.640 -0.003 0.000 0.224 202 D C 1.162 177.514 176.300 0.087 0.000 1.171 202 D CA 0.127 54.256 54.000 0.214 0.000 1.006 202 D CB 0.592 41.492 40.800 0.166 0.000 1.073 202 D HN 0.679 nan 8.370 nan 0.000 0.513 203 L N 2.124 123.357 121.223 0.017 0.000 2.131 203 L HA -0.145 4.193 4.340 -0.003 0.000 0.210 203 L C 2.262 179.134 176.870 0.004 0.000 1.092 203 L CA 0.708 55.521 54.840 -0.044 0.000 0.759 203 L CB -0.235 41.677 42.059 -0.244 0.000 0.903 203 L HN 0.285 nan 8.230 nan 0.000 0.435 204 E N 1.036 121.246 120.200 0.015 0.000 2.077 204 E HA -0.213 4.135 4.350 -0.003 0.000 0.193 204 E C 2.149 178.767 176.600 0.029 0.000 0.989 204 E CA 1.617 58.034 56.400 0.028 0.000 0.800 204 E CB -0.132 29.579 29.700 0.018 0.000 0.746 204 E HN 0.353 nan 8.360 nan 0.000 0.452 205 A N 0.617 123.455 122.820 0.030 0.000 1.908 205 A HA -0.156 4.162 4.320 -0.003 0.000 0.218 205 A C 2.413 180.020 177.584 0.039 0.000 1.181 205 A CA 1.676 53.733 52.037 0.033 0.000 0.627 205 A CB -0.732 18.295 19.000 0.045 0.000 0.818 205 A HN 0.374 nan 8.150 nan 0.000 0.445 206 I N -1.339 119.260 120.570 0.047 0.000 2.252 206 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 206 I C 2.711 178.858 176.117 0.049 0.000 1.102 206 I CA 1.454 62.785 61.300 0.051 0.000 1.385 206 I CB -0.389 37.648 38.000 0.061 0.000 1.064 206 I HN 0.347 nan 8.210 nan 0.000 0.414 207 R N 1.204 121.735 120.500 0.052 0.000 2.105 207 R HA -0.179 4.160 4.340 -0.003 0.000 0.239 207 R C 2.093 178.421 176.300 0.045 0.000 1.135 207 R CA 1.777 57.911 56.100 0.057 0.000 0.967 207 R CB -0.125 30.215 30.300 0.067 0.000 0.861 207 R HN 0.387 nan 8.270 nan 0.000 0.442 208 A N -0.082 122.760 122.820 0.037 0.000 2.195 208 A HA -0.016 4.303 4.320 -0.003 0.000 0.210 208 A C 1.882 179.481 177.584 0.027 0.000 1.165 208 A CA 0.772 52.827 52.037 0.029 0.000 0.806 208 A CB -0.167 18.846 19.000 0.023 0.000 0.847 208 A HN 0.516 nan 8.150 nan 0.000 0.482 209 S N -0.459 115.258 115.700 0.029 0.000 2.423 209 S HA 0.020 4.489 4.470 -0.003 0.000 0.238 209 S C 1.807 176.422 174.600 0.025 0.000 1.028 209 S CA 1.817 60.032 58.200 0.026 0.000 1.000 209 S CB -0.908 62.310 63.200 0.030 0.000 0.797 209 S HN 1.991 nan 8.310 nan 0.000 0.487 210 G N 0.511 109.328 108.800 0.029 0.000 2.184 210 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.264 210 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.264 210 G C 0.050 174.970 174.900 0.032 0.000 0.975 210 G CA 0.495 45.611 45.100 0.028 0.000 0.642 210 G HN 0.620 nan 8.290 nan 0.000 0.536 211 L N -0.328 120.916 121.223 0.035 0.000 2.453 211 L HA 0.511 4.849 4.340 -0.003 0.000 0.261 211 L C 1.152 178.055 176.870 0.054 0.000 1.179 211 L CA -0.432 54.433 54.840 0.042 0.000 0.813 211 L CB 0.587 42.668 42.059 0.037 0.000 1.110 211 L HN 0.088 nan 8.230 nan 0.000 0.466 212 R N 2.188 122.735 120.500 0.078 0.000 2.310 212 R HA 0.453 4.791 4.340 -0.003 0.000 0.316 212 R C -1.206 175.179 176.300 0.142 0.000 1.004 212 R CA -0.646 55.529 56.100 0.125 0.000 0.900 212 R CB 0.864 31.261 30.300 0.161 0.000 1.152 212 R HN 0.338 nan 8.270 nan 0.000 0.513 213 I N 1.165 121.749 120.570 0.024 0.000 2.428 213 I HA 0.368 4.536 4.170 -0.003 0.000 0.296 213 I C 0.957 176.816 176.117 -0.431 0.000 0.985 213 I CA -0.193 61.029 61.300 -0.129 0.000 1.260 213 I CB 1.827 39.748 38.000 -0.131 0.000 1.389 213 I HN 0.508 nan 8.210 nan 0.000 0.484 214 G N 4.547 112.860 108.800 -0.811 0.000 2.415 214 G HA2 0.665 4.624 3.960 -0.003 0.000 0.327 214 G HA3 0.665 4.624 3.960 -0.003 0.000 0.327 214 G C -1.409 173.006 174.900 -0.809 0.000 1.182 214 G CA -0.467 43.802 45.100 -1.386 0.000 0.924 214 G HN 0.374 nan 8.290 nan 0.000 0.470 215 V N 2.234 121.724 119.914 -0.706 0.000 2.531 215 V HA 0.381 4.499 4.120 -0.003 0.000 0.301 215 V C -1.161 174.636 176.094 -0.495 0.000 1.034 215 V CA -0.800 61.069 62.300 -0.718 0.000 0.865 215 V CB 1.965 33.130 31.823 -1.096 0.000 0.995 215 V HN 0.753 nan 8.190 nan 0.000 0.424 216 D N 6.352 126.527 120.400 -0.376 0.000 2.464 216 D HA 0.400 5.038 4.640 -0.003 0.000 0.243 216 D C -1.983 174.239 176.300 -0.130 0.000 1.104 216 D CA -1.921 51.956 54.000 -0.206 0.000 0.883 216 D CB 2.461 43.176 40.800 -0.142 0.000 1.050 216 D HN 0.191 nan 8.370 nan 0.000 0.524 217 P HA -0.002 nan 4.420 nan 0.000 0.226 217 P C 0.484 177.785 177.300 0.002 0.000 1.146 217 P CA 0.314 63.441 63.100 0.046 0.000 0.773 217 P CB 0.022 31.785 31.700 0.105 0.000 0.772 218 L N -2.819 118.384 121.223 -0.034 0.000 3.678 218 L HA -0.257 4.081 4.340 -0.003 0.000 0.425 218 L C 1.136 177.969 176.870 -0.062 0.000 1.240 218 L CA 0.339 55.151 54.840 -0.047 0.000 0.876 218 L CB -2.548 39.483 42.059 -0.047 0.000 1.766 218 L HN 0.373 nan 8.230 nan 0.000 0.917 219 G N -1.326 107.441 108.800 -0.056 0.000 2.180 219 G HA2 -0.239 3.719 3.960 -0.003 0.000 0.263 219 G HA3 -0.239 3.719 3.960 -0.003 0.000 0.263 219 G C 0.700 175.523 174.900 -0.128 0.000 0.989 219 G CA 0.542 45.593 45.100 -0.083 0.000 0.692 219 G HN 1.039 nan 8.290 nan 0.000 0.526 220 G N -1.496 107.249 108.800 -0.090 0.000 2.543 220 G HA2 0.676 4.634 3.960 -0.003 0.000 0.290 220 G HA3 0.676 4.634 3.960 -0.003 0.000 0.290 220 G C 1.202 176.043 174.900 -0.098 0.000 1.310 220 G CA 0.342 45.375 45.100 -0.113 0.000 1.025 220 G HN 1.228 nan 8.290 nan 0.000 0.502 221 A N -0.786 121.976 122.820 -0.097 0.000 2.206 221 A HA 0.156 4.474 4.320 -0.003 0.000 0.211 221 A C 2.303 179.889 177.584 0.003 0.000 1.158 221 A CA 1.598 53.623 52.037 -0.020 0.000 0.761 221 A CB -0.404 18.586 19.000 -0.018 0.000 0.801 221 A HN 1.060 nan 8.150 nan 0.000 0.473 222 S N -0.622 115.078 115.700 0.000 0.000 2.603 222 S HA -0.000 4.468 4.470 -0.003 0.000 0.220 222 S C 1.606 176.266 174.600 0.101 0.000 0.967 222 S CA 0.651 58.838 58.200 -0.023 0.000 0.920 222 S CB -0.451 62.754 63.200 0.009 0.000 0.773 222 S HN 0.397 nan 8.310 nan 0.000 0.529 223 L N 2.340 123.641 121.223 0.130 0.000 1.997 223 L HA -0.124 4.214 4.340 -0.003 0.000 0.216 223 L C 2.570 179.520 176.870 0.133 0.000 1.074 223 L CA 1.870 56.802 54.840 0.153 0.000 0.763 223 L CB -0.676 41.444 42.059 0.102 0.000 0.890 223 L HN 0.177 nan 8.230 nan 0.000 0.434 224 R N -0.664 119.880 120.500 0.073 0.000 2.070 224 R HA -0.083 4.255 4.340 -0.003 0.000 0.233 224 R C 2.363 178.682 176.300 0.032 0.000 1.137 224 R CA 1.543 57.672 56.100 0.050 0.000 0.945 224 R CB -1.530 28.786 30.300 0.026 0.000 0.845 224 R HN 0.445 nan 8.270 nan 0.000 0.430 225 V N -0.039 119.843 119.914 -0.053 0.000 2.332 225 V HA -0.243 3.875 4.120 -0.003 0.000 0.248 225 V C 1.800 177.856 176.094 -0.064 0.000 1.055 225 V CA 1.754 63.974 62.300 -0.134 0.000 1.038 225 V CB -0.338 31.256 31.823 -0.381 0.000 0.651 225 V HN 0.367 nan 8.190 nan 0.000 0.450 226 W N 0.248 121.547 121.300 -0.001 0.000 2.354 226 W HA -0.150 4.508 4.660 -0.003 0.000 0.315 226 W C 2.629 179.162 176.519 0.024 0.000 1.206 226 W CA 1.514 58.867 57.345 0.012 0.000 1.290 226 W CB -0.233 29.218 29.460 -0.015 0.000 1.152 226 W HN 0.232 nan 8.180 nan 0.000 0.489 227 E N -0.089 120.272 120.200 0.268 0.000 2.118 227 E HA -0.202 4.146 4.350 -0.003 0.000 0.195 227 E C 2.143 178.821 176.600 0.131 0.000 0.992 227 E CA 0.913 57.409 56.400 0.161 0.000 0.804 227 E CB -0.256 29.508 29.700 0.108 0.000 0.741 227 E HN 0.242 nan 8.360 nan 0.000 0.458 228 R N 0.243 120.813 120.500 0.117 0.000 2.193 228 R HA 0.014 4.352 4.340 -0.003 0.000 0.213 228 R C 2.322 178.693 176.300 0.119 0.000 1.055 228 R CA 0.395 56.547 56.100 0.087 0.000 0.995 228 R CB -0.044 30.291 30.300 0.059 0.000 0.893 228 R HN 0.241 nan 8.270 nan 0.000 0.459 229 L N -0.165 121.168 121.223 0.184 0.000 2.044 229 L HA -0.078 4.260 4.340 -0.003 0.000 0.205 229 L C 2.627 179.655 176.870 0.264 0.000 1.075 229 L CA 1.150 56.151 54.840 0.269 0.000 0.747 229 L CB -0.572 41.666 42.059 0.297 0.000 0.903 229 L HN 0.135 nan 8.230 nan 0.000 0.435 230 A N -0.209 122.748 122.820 0.228 0.000 1.908 230 A HA -0.276 4.042 4.320 -0.003 0.000 0.218 230 A C 2.184 179.842 177.584 0.124 0.000 1.181 230 A CA 2.015 54.154 52.037 0.171 0.000 0.627 230 A CB -0.509 18.570 19.000 0.132 0.000 0.818 230 A HN 0.436 nan 8.150 nan 0.000 0.445 231 E N -0.251 120.005 120.200 0.094 0.000 2.028 231 E HA -0.101 4.248 4.350 -0.003 0.000 0.191 231 E C 1.888 178.493 176.600 0.008 0.000 0.988 231 E CA 1.321 57.750 56.400 0.049 0.000 0.799 231 E CB -0.023 29.699 29.700 0.038 0.000 0.755 231 E HN 0.564 nan 8.360 nan 0.000 0.447 232 S N -0.562 115.115 115.700 -0.038 0.000 2.607 232 S HA -0.011 4.457 4.470 -0.003 0.000 0.224 232 S C 0.617 174.981 174.600 -0.394 0.000 0.969 232 S CA 0.258 58.334 58.200 -0.206 0.000 0.927 232 S CB 0.050 63.084 63.200 -0.278 0.000 0.772 232 S HN 0.318 nan 8.310 nan 0.000 0.533 233 H N -0.911 118.194 119.070 0.057 0.000 3.540 233 H HA 0.258 4.812 4.556 -0.003 0.000 0.259 233 H C 1.523 176.883 175.328 0.053 0.000 1.197 233 H CA 0.405 56.486 56.048 0.056 0.000 1.136 233 H CB 0.493 30.296 29.762 0.068 0.000 1.605 233 H HN 0.419 nan 8.280 nan 0.000 0.657 234 G N 1.951 110.831 108.800 0.134 0.000 2.168 234 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.257 234 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.257 234 G C 0.372 175.335 174.900 0.105 0.000 0.997 234 G CA 0.338 45.497 45.100 0.098 0.000 0.708 234 G HN 0.267 nan 8.290 nan 0.000 0.520 235 L N 0.066 121.372 121.223 0.137 0.000 2.499 235 L HA 0.214 4.552 4.340 -0.003 0.000 0.273 235 L C -1.464 175.456 176.870 0.084 0.000 1.195 235 L CA -1.438 53.472 54.840 0.117 0.000 0.882 235 L CB 0.508 42.658 42.059 0.153 0.000 1.133 235 L HN -0.100 nan 8.230 nan 0.000 0.483 236 P HA 0.163 nan 4.420 nan 0.000 0.238 236 P C -0.671 176.641 177.300 0.019 0.000 1.714 236 P CA 0.313 63.441 63.100 0.047 0.000 0.908 236 P CB -0.079 31.650 31.700 0.047 0.000 1.893 237 L N 0.375 121.606 121.223 0.013 0.000 2.282 237 L HA 0.356 4.694 4.340 -0.003 0.000 0.288 237 L C 0.780 177.611 176.870 -0.066 0.000 1.033 237 L CA -0.384 54.420 54.840 -0.061 0.000 0.807 237 L CB 1.650 43.695 42.059 -0.024 0.000 1.209 237 L HN 0.044 nan 8.230 nan 0.000 0.423 238 E N 3.486 123.595 120.200 -0.152 0.000 2.114 238 E HA 0.325 4.673 4.350 -0.003 0.000 0.266 238 E C -0.905 175.578 176.600 -0.195 0.000 0.896 238 E CA -0.710 55.631 56.400 -0.098 0.000 0.750 238 E CB 1.745 31.455 29.700 0.015 0.000 1.121 238 E HN 0.428 nan 8.360 nan 0.000 0.413 239 V N 2.632 122.477 119.914 -0.116 0.000 2.583 239 V HA 0.571 4.689 4.120 -0.003 0.000 0.287 239 V C 0.285 176.331 176.094 -0.081 0.000 1.051 239 V CA -0.412 61.807 62.300 -0.135 0.000 1.010 239 V CB 0.784 32.582 31.823 -0.041 0.000 0.988 239 V HN 0.399 nan 8.190 nan 0.000 0.478 273 L N 2.444 123.649 121.223 -0.030 0.000 2.685 273 L HA 0.372 4.710 4.340 -0.003 0.000 0.233 273 L C 1.840 178.703 176.870 -0.012 0.000 1.173 273 L CA 0.901 55.729 54.840 -0.020 0.000 0.961 273 L CB 0.365 42.413 42.059 -0.019 0.000 1.217 273 L HN 0.598 nan 8.230 nan 0.000 0.478 274 A N -0.414 122.396 122.820 -0.018 0.000 2.277 274 A HA -0.022 4.296 4.320 -0.003 0.000 0.208 274 A C 1.077 178.675 177.584 0.023 0.000 1.202 274 A CA 0.240 52.273 52.037 -0.006 0.000 0.762 274 A CB -0.908 18.069 19.000 -0.037 0.000 0.770 274 A HN 0.310 nan 8.150 nan 0.000 0.487 275 L N 0.840 122.069 121.223 0.010 0.000 2.869 275 L HA 0.035 4.374 4.340 -0.003 0.000 0.240 275 L C 0.296 177.177 176.870 0.019 0.000 1.448 275 L CA 1.133 55.980 54.840 0.012 0.000 1.158 275 L CB -1.056 41.003 42.059 -0.000 0.000 1.497 275 L HN 0.262 nan 8.230 nan 0.000 0.447 276 K N 0.101 120.527 120.400 0.044 0.000 3.098 276 K HA 0.181 4.499 4.320 -0.003 0.000 0.204 276 K C -0.991 175.638 176.600 0.048 0.000 1.210 276 K CA -0.438 55.867 56.287 0.031 0.000 0.899 276 K CB 0.865 33.387 32.500 0.037 0.000 1.176 276 K HN 0.007 nan 8.250 nan 0.000 0.585 277 D N 2.906 123.316 120.400 0.017 0.000 2.541 277 D HA -0.015 4.623 4.640 -0.003 0.000 0.231 277 D C 0.797 177.034 176.300 -0.106 0.000 1.163 277 D CA 0.171 54.180 54.000 0.015 0.000 1.077 277 D CB 0.150 40.958 40.800 0.012 0.000 1.110 277 D HN 0.438 nan 8.370 nan 0.000 0.499 278 R N 0.252 120.566 120.500 -0.311 0.000 2.690 278 R HA 0.286 4.624 4.340 -0.003 0.000 0.419 278 R C -0.662 175.203 176.300 -0.725 0.000 1.090 278 R CA -0.482 55.328 56.100 -0.484 0.000 1.064 278 R CB -0.029 29.942 30.300 -0.549 0.000 1.391 278 R HN -0.073 nan 8.270 nan 0.000 0.586 279 F N -0.160 119.774 119.950 -0.027 0.000 2.620 279 F HA 0.389 4.914 4.527 -0.003 0.000 0.320 279 F C 0.852 176.638 175.800 -0.024 0.000 1.069 279 F CA -1.283 56.699 58.000 -0.030 0.000 0.953 279 F CB 1.493 40.466 39.000 -0.046 0.000 1.322 279 F HN -0.229 nan 8.300 nan 0.000 0.479 280 D N 0.376 120.885 120.400 0.183 0.000 2.249 280 D HA 0.086 4.724 4.640 -0.003 0.000 0.205 280 D C -0.127 176.224 176.300 0.085 0.000 0.962 280 D CA 1.295 55.353 54.000 0.097 0.000 0.860 280 D CB 0.600 41.441 40.800 0.068 0.000 0.955 280 D HN 0.153 nan 8.370 nan 0.000 0.505 281 L N -0.351 120.925 121.223 0.088 0.000 2.513 281 L HA 0.574 4.912 4.340 -0.003 0.000 0.261 281 L C -1.968 174.869 176.870 -0.056 0.000 0.945 281 L CA -0.788 54.064 54.840 0.020 0.000 0.848 281 L CB 2.032 44.089 42.059 -0.002 0.000 1.334 281 L HN -0.131 nan 8.230 nan 0.000 0.407 282 A N 5.246 128.013 122.820 -0.088 0.000 2.401 282 A HA 0.929 5.247 4.320 -0.003 0.000 0.310 282 A C -1.206 176.252 177.584 -0.210 0.000 1.075 282 A CA -0.507 51.405 52.037 -0.210 0.000 0.746 282 A CB 1.204 20.137 19.000 -0.111 0.000 1.277 282 A HN 0.643 nan 8.150 nan 0.000 0.425 283 I N 1.027 121.417 120.570 -0.300 0.000 2.608 283 I HA 0.635 4.803 4.170 -0.003 0.000 0.295 283 I C 0.509 176.495 176.117 -0.219 0.000 1.049 283 I CA -0.667 60.484 61.300 -0.247 0.000 1.063 283 I CB 2.565 40.377 38.000 -0.313 0.000 1.248 283 I HN 0.749 nan 8.210 nan 0.000 0.424 284 G N 3.255 111.992 108.800 -0.105 0.000 2.524 284 G HA2 0.675 4.633 3.960 -0.003 0.000 0.310 284 G HA3 0.675 4.633 3.960 -0.003 0.000 0.310 284 G C -1.479 173.438 174.900 0.027 0.000 1.279 284 G CA -0.555 44.508 45.100 -0.062 0.000 0.974 284 G HN 0.666 nan 8.290 nan 0.000 0.484 285 N N -0.107 118.624 118.700 0.050 0.000 2.284 285 N HA 0.401 5.139 4.740 -0.003 0.000 0.289 285 N C -0.923 174.607 175.510 0.034 0.000 1.179 285 N CA -0.890 52.216 53.050 0.093 0.000 0.774 285 N CB 2.421 41.025 38.487 0.195 0.000 1.548 285 N HN 0.654 nan 8.380 nan 0.000 0.473 286 D N 0.198 120.608 120.400 0.017 0.000 2.433 286 D HA 0.227 4.865 4.640 -0.003 0.000 0.255 286 D C -1.839 174.454 176.300 -0.011 0.000 1.226 286 D CA -1.396 52.601 54.000 -0.005 0.000 1.015 286 D CB -0.246 40.548 40.800 -0.009 0.000 1.091 286 D HN 0.170 nan 8.370 nan 0.000 0.527 287 P HA -0.159 nan 4.420 nan 0.000 0.215 287 P C 0.777 178.056 177.300 -0.034 0.000 1.163 287 P CA 1.942 65.026 63.100 -0.026 0.000 0.894 287 P CB -0.064 31.680 31.700 0.072 0.000 0.791 288 D N -1.547 118.837 120.400 -0.027 0.000 2.328 288 D HA 0.133 4.771 4.640 -0.003 0.000 0.226 288 D C 0.611 176.862 176.300 -0.081 0.000 1.066 288 D CA 0.409 54.371 54.000 -0.063 0.000 0.861 288 D CB -0.766 39.989 40.800 -0.075 0.000 0.912 288 D HN 0.135 nan 8.370 nan 0.000 0.521 289 A N 1.664 124.453 122.820 -0.053 0.000 2.832 289 A HA -0.231 4.087 4.320 -0.003 0.000 0.280 289 A C 1.051 178.601 177.584 -0.057 0.000 1.464 289 A CA 1.333 53.344 52.037 -0.043 0.000 0.804 289 A CB -2.238 16.708 19.000 -0.089 0.000 1.020 289 A HN 0.556 nan 8.150 nan 0.000 0.563 290 D N -1.308 119.055 120.400 -0.062 0.000 2.360 290 D HA 0.107 4.746 4.640 -0.003 0.000 0.210 290 D C 0.697 176.984 176.300 -0.023 0.000 1.047 290 D CA 0.396 54.343 54.000 -0.087 0.000 0.854 290 D CB 0.073 40.787 40.800 -0.144 0.000 0.936 290 D HN 0.714 nan 8.370 nan 0.000 0.514 291 R N 0.385 120.897 120.500 0.020 0.000 2.778 291 R HA 0.409 4.747 4.340 -0.003 0.000 0.277 291 R C -0.245 176.126 176.300 0.117 0.000 0.977 291 R CA -0.771 55.358 56.100 0.048 0.000 0.950 291 R CB 1.679 31.962 30.300 -0.029 0.000 1.165 291 R HN 0.280 nan 8.270 nan 0.000 0.474 292 H N -1.118 117.974 119.070 0.037 0.000 2.797 292 H HA 0.674 5.228 4.556 -0.003 0.000 0.372 292 H C -0.832 174.487 175.328 -0.015 0.000 1.168 292 H CA -1.266 54.801 56.048 0.033 0.000 1.163 292 H CB 2.223 32.026 29.762 0.069 0.000 1.778 292 H HN 0.763 nan 8.280 nan 0.000 0.551 293 G N 1.972 110.765 108.800 -0.012 0.000 2.707 293 G HA2 0.467 4.425 3.960 -0.003 0.000 0.299 293 G HA3 0.467 4.425 3.960 -0.003 0.000 0.299 293 G C -1.084 173.756 174.900 -0.100 0.000 1.442 293 G CA -0.609 44.433 45.100 -0.096 0.000 1.009 293 G HN 0.459 nan 8.290 nan 0.000 0.515 294 I N 2.225 122.700 120.570 -0.158 0.000 2.359 294 I HA 0.473 4.642 4.170 -0.003 0.000 0.294 294 I C -0.260 175.790 176.117 -0.112 0.000 0.987 294 I CA -1.004 60.176 61.300 -0.199 0.000 1.225 294 I CB 1.437 39.200 38.000 -0.395 0.000 1.366 294 I HN 0.063 nan 8.210 nan 0.000 0.466 295 V N 5.268 125.131 119.914 -0.085 0.000 2.588 295 V HA 0.617 4.735 4.120 -0.003 0.000 0.304 295 V C 0.164 176.255 176.094 -0.005 0.000 1.042 295 V CA -0.419 61.859 62.300 -0.037 0.000 0.877 295 V CB 2.307 34.114 31.823 -0.027 0.000 0.996 295 V HN 0.967 nan 8.190 nan 0.000 0.425 296 T N 1.994 116.558 114.554 0.017 0.000 2.887 296 T HA 0.538 4.886 4.350 -0.003 0.000 0.292 296 T C -2.381 172.342 174.700 0.038 0.000 1.087 296 T CA -2.112 60.010 62.100 0.036 0.000 1.009 296 T CB 2.259 71.154 68.868 0.045 0.000 1.203 296 T HN 0.303 nan 8.240 nan 0.000 0.518 297 P HA -0.014 nan 4.420 nan 0.000 0.218 297 P C 1.127 178.444 177.300 0.027 0.000 1.146 297 P CA 0.762 63.879 63.100 0.029 0.000 0.813 297 P CB 0.050 31.765 31.700 0.024 0.000 0.778 298 R N -1.283 119.238 120.500 0.035 0.000 2.307 298 R HA 0.334 4.673 4.340 -0.003 0.000 0.199 298 R C 1.317 177.637 176.300 0.033 0.000 1.000 298 R CA 0.708 56.831 56.100 0.038 0.000 1.023 298 R CB -0.609 29.723 30.300 0.054 0.000 0.908 298 R HN 0.229 nan 8.270 nan 0.000 0.473 299 G N -0.640 108.176 108.800 0.026 0.000 2.280 299 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.277 299 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.277 299 G C -1.852 173.050 174.900 0.004 0.000 1.288 299 G CA -0.706 44.403 45.100 0.014 0.000 1.075 299 G HN 0.090 nan 8.290 nan 0.000 0.480 300 L N 1.445 122.660 121.223 -0.012 0.000 2.260 300 L HA 0.732 5.070 4.340 -0.003 0.000 0.289 300 L C 0.963 177.806 176.870 -0.045 0.000 1.057 300 L CA -0.410 54.410 54.840 -0.034 0.000 0.811 300 L CB 0.663 42.695 42.059 -0.044 0.000 1.184 300 L HN 0.599 nan 8.230 nan 0.000 0.429 301 M N 3.958 123.533 119.600 -0.042 0.000 2.252 301 M HA 0.035 4.513 4.480 -0.003 0.000 0.348 301 M C 0.387 176.615 176.300 -0.119 0.000 1.334 301 M CA 0.221 55.495 55.300 -0.043 0.000 1.071 301 M CB 0.049 32.663 32.600 0.022 0.000 1.763 301 M HN 0.677 nan 8.290 nan 0.000 0.452 302 N N 4.575 123.119 118.700 -0.262 0.000 2.454 302 N HA 0.040 4.778 4.740 -0.003 0.000 0.260 302 N C -2.025 173.332 175.510 -0.255 0.000 1.218 302 N CA -0.880 51.928 53.050 -0.403 0.000 0.904 302 N CB 0.859 38.771 38.487 -0.959 0.000 1.065 302 N HN 0.253 nan 8.380 nan 0.000 0.462 303 P HA -0.242 nan 4.420 nan 0.000 0.216 303 P C 0.749 178.063 177.300 0.024 0.000 1.167 303 P CA 1.347 64.413 63.100 -0.056 0.000 0.914 303 P CB 0.130 31.768 31.700 -0.103 0.000 0.793 304 N N -1.402 117.256 118.700 -0.069 0.000 2.094 304 N HA -0.197 4.542 4.740 -0.003 0.000 0.191 304 N C 1.754 177.336 175.510 0.120 0.000 1.023 304 N CA 1.390 54.455 53.050 0.024 0.000 0.857 304 N CB -0.940 37.520 38.487 -0.045 0.000 1.013 304 N HN 0.459 nan 8.380 nan 0.000 0.426 305 H N -1.506 117.452 119.070 -0.187 0.000 2.290 305 H HA -0.180 4.374 4.556 -0.003 0.000 0.298 305 H C 1.813 177.072 175.328 -0.115 0.000 1.087 305 H CA 1.324 57.096 56.048 -0.458 0.000 1.291 305 H CB -0.206 28.892 29.762 -1.107 0.000 1.369 305 H HN 0.240 nan 8.280 nan 0.000 0.492 306 Y N 1.945 122.272 120.300 0.046 0.000 2.128 306 Y HA -0.250 4.298 4.550 -0.003 0.000 0.284 306 Y C 2.334 178.357 175.900 0.205 0.000 1.154 306 Y CA 1.229 59.410 58.100 0.136 0.000 1.149 306 Y CB -0.676 37.886 38.460 0.171 0.000 0.976 306 Y HN 0.074 nan 8.280 nan 0.000 0.505 307 L N -0.406 120.873 121.223 0.092 0.000 2.081 307 L HA -0.297 4.041 4.340 -0.003 0.000 0.212 307 L C 2.744 179.600 176.870 -0.023 0.000 1.080 307 L CA 1.224 56.122 54.840 0.097 0.000 0.754 307 L CB -1.089 41.151 42.059 0.300 0.000 0.893 307 L HN 0.374 nan 8.230 nan 0.000 0.433 308 A N 0.063 122.916 122.820 0.054 0.000 1.858 308 A HA -0.162 4.156 4.320 -0.003 0.000 0.216 308 A C 2.569 180.169 177.584 0.026 0.000 1.190 308 A CA 1.763 53.844 52.037 0.073 0.000 0.617 308 A CB -0.729 18.404 19.000 0.220 0.000 0.827 308 A HN 0.395 nan 8.150 nan 0.000 0.443 309 A N -0.080 122.765 122.820 0.042 0.000 1.865 309 A HA 0.118 4.437 4.320 -0.003 0.000 0.217 309 A C 2.556 180.119 177.584 -0.036 0.000 1.191 309 A CA 2.422 54.488 52.037 0.047 0.000 0.623 309 A CB -1.220 17.839 19.000 0.100 0.000 0.826 309 A HN 1.133 nan 8.150 nan 0.000 0.444 310 A N -0.398 122.265 122.820 -0.262 0.000 1.873 310 A HA -0.135 4.184 4.320 -0.003 0.000 0.218 310 A C 2.176 179.630 177.584 -0.216 0.000 1.193 310 A CA 1.953 53.840 52.037 -0.251 0.000 0.629 310 A CB -0.837 17.932 19.000 -0.385 0.000 0.826 310 A HN 0.844 nan 8.150 nan 0.000 0.447 311 L N -0.863 120.126 121.223 -0.390 0.000 2.043 311 L HA -0.229 4.110 4.340 -0.003 0.000 0.212 311 L C 2.357 179.179 176.870 -0.080 0.000 1.075 311 L CA 3.019 57.576 54.840 -0.471 0.000 0.752 311 L CB -0.833 40.887 42.059 -0.565 0.000 0.891 311 L HN 0.645 nan 8.230 nan 0.000 0.432 312 H N -1.782 117.228 119.070 -0.099 0.000 2.299 312 H HA -0.213 4.342 4.556 -0.003 0.000 0.302 312 H C 2.325 177.661 175.328 0.013 0.000 1.078 312 H CA 2.170 58.205 56.048 -0.022 0.000 1.323 312 H CB -0.258 29.497 29.762 -0.012 0.000 1.381 312 H HN 0.616 nan 8.280 nan 0.000 0.498 313 H N -0.503 118.497 119.070 -0.115 0.000 2.387 313 H HA -0.100 4.454 4.556 -0.003 0.000 0.299 313 H C 1.958 177.132 175.328 -0.257 0.000 1.099 313 H CA 1.652 57.590 56.048 -0.183 0.000 1.315 313 H CB -0.396 29.311 29.762 -0.092 0.000 1.380 313 H HN 0.335 nan 8.280 nan 0.000 0.513 314 L N -0.586 120.411 121.223 -0.378 0.000 2.027 314 L HA -0.150 4.188 4.340 -0.003 0.000 0.206 314 L C 1.756 178.220 176.870 -0.676 0.000 1.074 314 L CA 1.636 56.125 54.840 -0.585 0.000 0.745 314 L CB -1.007 40.836 42.059 -0.360 0.000 0.898 314 L HN 0.341 nan 8.230 nan 0.000 0.433 315 Y N -0.945 119.126 120.300 -0.381 0.000 2.519 315 Y HA -0.062 4.486 4.550 -0.003 0.000 0.287 315 Y C 2.125 177.822 175.900 -0.339 0.000 1.128 315 Y CA 1.113 59.028 58.100 -0.308 0.000 1.282 315 Y CB -0.509 37.872 38.460 -0.132 0.000 1.027 315 Y HN 0.288 nan 8.280 nan 0.000 0.551 316 T N -5.479 108.893 114.554 -0.302 0.000 3.163 316 T HA 0.114 4.463 4.350 -0.003 0.000 0.252 316 T C 1.203 175.725 174.700 -0.298 0.000 1.056 316 T CA 0.799 62.723 62.100 -0.294 0.000 0.947 316 T CB 0.130 68.759 68.868 -0.398 0.000 1.016 316 T HN 0.139 nan 8.240 nan 0.000 0.554 317 T N -0.076 114.227 114.554 -0.418 0.000 3.100 317 T HA 0.349 4.698 4.350 -0.003 0.000 0.255 317 T C 0.251 174.674 174.700 -0.461 0.000 0.893 317 T CA -0.254 61.597 62.100 -0.416 0.000 0.882 317 T CB 0.399 68.941 68.868 -0.545 0.000 1.266 317 T HN 0.140 nan 8.240 nan 0.000 0.528 318 R N 1.355 121.425 120.500 -0.718 0.000 2.674 318 R HA 0.658 4.996 4.340 -0.003 0.000 0.266 318 R C -0.512 175.336 176.300 -0.754 0.000 1.016 318 R CA -0.314 55.244 56.100 -0.904 0.000 1.062 318 R CB 1.369 30.475 30.300 -1.989 0.000 1.142 318 R HN 0.075 nan 8.270 nan 0.000 0.517 319 S N 1.754 117.117 115.700 -0.562 0.000 2.475 319 S HA 0.307 4.776 4.470 -0.003 0.000 0.249 319 S C -1.272 173.279 174.600 -0.082 0.000 1.298 319 S CA -0.623 57.425 58.200 -0.254 0.000 1.125 319 S CB 0.121 63.247 63.200 -0.124 0.000 1.054 319 S HN 0.448 nan 8.310 nan 0.000 0.484 320 W N 4.715 125.976 121.300 -0.065 0.000 2.147 320 W HA 0.344 5.002 4.660 -0.003 0.000 0.325 320 W C -2.820 173.717 176.519 0.032 0.000 0.855 320 W CA -3.255 54.070 57.345 -0.034 0.000 1.642 320 W CB -0.552 28.845 29.460 -0.105 0.000 1.750 320 W HN 0.442 nan 8.180 nan 0.000 0.359 321 P HA 0.025 nan 4.420 nan 0.000 0.255 321 P C 1.102 178.499 177.300 0.162 0.000 1.173 321 P CA 1.706 64.901 63.100 0.158 0.000 0.780 321 P CB 0.154 31.922 31.700 0.113 0.000 0.758 322 G N 2.902 111.799 108.800 0.161 0.000 2.155 322 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.257 322 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.257 322 G C 0.415 175.426 174.900 0.185 0.000 0.983 322 G CA -0.026 45.163 45.100 0.148 0.000 0.676 322 G HN 0.851 nan 8.290 nan 0.000 0.528 323 A N 0.389 123.349 122.820 0.233 0.000 2.350 323 A HA 0.634 4.952 4.320 -0.003 0.000 0.293 323 A C 0.803 178.558 177.584 0.285 0.000 1.231 323 A CA 0.168 52.333 52.037 0.213 0.000 0.883 323 A CB 0.291 19.364 19.000 0.122 0.000 1.133 323 A HN 0.484 nan 8.150 nan 0.000 0.533 324 K N 0.954 121.491 120.400 0.229 0.000 2.132 324 K HA 0.386 4.705 4.320 -0.003 0.000 0.240 324 K C -0.465 176.254 176.600 0.199 0.000 1.036 324 K CA -0.356 56.054 56.287 0.206 0.000 0.888 324 K CB 0.610 33.247 32.500 0.228 0.000 1.071 324 K HN 0.371 nan 8.250 nan 0.000 0.502 325 V N 1.309 121.309 119.914 0.143 0.000 2.370 325 V HA 0.280 4.399 4.120 -0.003 0.000 0.279 325 V C 0.311 176.494 176.094 0.149 0.000 1.029 325 V CA -0.670 61.713 62.300 0.138 0.000 0.870 325 V CB 1.165 32.989 31.823 0.001 0.000 0.984 325 V HN 0.852 nan 8.190 nan 0.000 0.451 326 G N 4.859 113.684 108.800 0.042 0.000 2.332 326 G HA2 0.710 4.668 3.960 -0.003 0.000 0.310 326 G HA3 0.710 4.668 3.960 -0.003 0.000 0.310 326 G C -0.606 174.101 174.900 -0.322 0.000 1.123 326 G CA -0.508 44.493 45.100 -0.165 0.000 0.873 326 G HN 0.820 nan 8.290 nan 0.000 0.460 327 K N -0.173 120.218 120.400 -0.016 0.000 2.556 327 K HA 0.692 5.010 4.320 -0.003 0.000 0.274 327 K C -0.497 176.306 176.600 0.338 0.000 0.966 327 K CA -0.974 55.394 56.287 0.135 0.000 0.865 327 K CB 1.379 33.950 32.500 0.118 0.000 1.444 327 K HN 0.516 nan 8.250 nan 0.000 0.433 328 T N -1.995 112.740 114.554 0.302 0.000 2.922 328 T HA 0.446 4.794 4.350 -0.003 0.000 0.285 328 T C 1.245 175.920 174.700 -0.040 0.000 1.005 328 T CA -0.311 61.864 62.100 0.125 0.000 1.061 328 T CB 1.508 70.436 68.868 0.099 0.000 1.007 328 T HN 0.713 nan 8.240 nan 0.000 0.502 329 A N 1.474 124.209 122.820 -0.142 0.000 2.139 329 A HA 0.044 4.362 4.320 -0.003 0.000 0.221 329 A C 1.942 179.310 177.584 -0.359 0.000 1.159 329 A CA 1.236 53.119 52.037 -0.257 0.000 0.662 329 A CB -0.743 18.116 19.000 -0.235 0.000 0.796 329 A HN 0.756 nan 8.150 nan 0.000 0.463 330 V N -0.501 119.279 119.914 -0.223 0.000 3.578 330 V HA 0.033 4.151 4.120 -0.003 0.000 0.290 330 V C 0.824 177.027 176.094 0.181 0.000 1.376 330 V CA 0.708 62.934 62.300 -0.124 0.000 1.083 330 V CB 0.060 31.614 31.823 -0.448 0.000 0.911 330 V HN 0.436 nan 8.190 nan 0.000 0.433 331 T N 0.902 115.509 114.554 0.089 0.000 2.899 331 T HA 0.148 4.496 4.350 -0.003 0.000 0.295 331 T C 0.464 175.333 174.700 0.281 0.000 1.033 331 T CA 0.361 62.572 62.100 0.186 0.000 1.084 331 T CB 1.150 70.110 68.868 0.154 0.000 0.979 331 T HN 0.353 nan 8.240 nan 0.000 0.532 332 S N 0.938 116.850 115.700 0.353 0.000 2.561 332 S HA 0.110 4.578 4.470 -0.003 0.000 0.294 332 S C 1.411 176.243 174.600 0.387 0.000 1.294 332 S CA -0.173 58.309 58.200 0.470 0.000 1.055 332 S CB 0.067 63.485 63.200 0.363 0.000 0.819 332 S HN 0.799 nan 8.310 nan 0.000 0.503 333 A N 4.569 127.710 122.820 0.535 0.000 2.167 333 A HA 0.088 4.406 4.320 -0.003 0.000 0.214 333 A C 1.796 179.654 177.584 0.458 0.000 1.151 333 A CA 0.558 52.865 52.037 0.450 0.000 0.735 333 A CB -0.469 18.908 19.000 0.627 0.000 0.802 333 A HN 0.849 nan 8.150 nan 0.000 0.467 334 L N -0.612 120.950 121.223 0.565 0.000 2.079 334 L HA -0.133 4.205 4.340 -0.003 0.000 0.210 334 L C 1.998 178.991 176.870 0.206 0.000 1.081 334 L CA 1.673 56.764 54.840 0.418 0.000 0.752 334 L CB -0.698 41.613 42.059 0.419 0.000 0.896 334 L HN 0.300 nan 8.230 nan 0.000 0.433 335 L N -0.379 120.960 121.223 0.194 0.000 2.079 335 L HA -0.227 4.111 4.340 -0.003 0.000 0.210 335 L C 2.320 179.221 176.870 0.052 0.000 1.081 335 L CA 1.738 56.639 54.840 0.102 0.000 0.752 335 L CB -0.984 41.150 42.059 0.124 0.000 0.896 335 L HN 0.348 nan 8.230 nan 0.000 0.433 336 D N -0.676 119.767 120.400 0.072 0.000 2.097 336 D HA -0.163 4.475 4.640 -0.003 0.000 0.195 336 D C 2.309 178.606 176.300 -0.006 0.000 0.989 336 D CA 1.099 55.113 54.000 0.025 0.000 0.827 336 D CB -0.005 40.813 40.800 0.030 0.000 0.966 336 D HN 0.337 nan 8.370 nan 0.000 0.456 337 R N 0.614 121.111 120.500 -0.005 0.000 2.083 337 R HA -0.090 4.248 4.340 -0.003 0.000 0.237 337 R C 2.541 178.813 176.300 -0.047 0.000 1.137 337 R CA 0.697 56.763 56.100 -0.056 0.000 0.951 337 R CB -0.522 29.708 30.300 -0.117 0.000 0.851 337 R HN 0.065 nan 8.270 nan 0.000 0.434 338 V N 1.185 121.083 119.914 -0.027 0.000 2.332 338 V HA -0.265 3.854 4.120 -0.003 0.000 0.248 338 V C 2.470 178.535 176.094 -0.048 0.000 1.055 338 V CA 2.038 64.321 62.300 -0.028 0.000 1.038 338 V CB -0.712 31.104 31.823 -0.012 0.000 0.651 338 V HN 0.433 nan 8.190 nan 0.000 0.450 339 A N -0.870 121.899 122.820 -0.085 0.000 1.930 339 A HA -0.285 4.033 4.320 -0.003 0.000 0.217 339 A C 2.252 179.782 177.584 -0.091 0.000 1.175 339 A CA 1.973 53.923 52.037 -0.145 0.000 0.627 339 A CB -0.496 18.417 19.000 -0.146 0.000 0.815 339 A HN 0.623 nan 8.150 nan 0.000 0.443 340 Q N -0.400 119.365 119.800 -0.058 0.000 2.079 340 Q HA -0.105 4.233 4.340 -0.003 0.000 0.200 340 Q C 2.111 178.090 176.000 -0.035 0.000 0.974 340 Q CA 1.543 57.320 55.803 -0.043 0.000 0.840 340 Q CB -0.366 28.347 28.738 -0.041 0.000 0.898 340 Q HN 0.574 nan 8.270 nan 0.000 0.430 341 A N 0.564 123.364 122.820 -0.033 0.000 2.024 341 A HA -0.094 4.224 4.320 -0.003 0.000 0.220 341 A C 1.681 179.268 177.584 0.005 0.000 1.164 341 A CA 1.000 53.027 52.037 -0.016 0.000 0.643 341 A CB -0.316 18.673 19.000 -0.018 0.000 0.806 341 A HN 0.467 nan 8.150 nan 0.000 0.451 342 L N -1.221 120.000 121.223 -0.004 0.000 2.700 342 L HA 0.266 4.604 4.340 -0.003 0.000 0.234 342 L C 1.349 178.215 176.870 -0.007 0.000 1.156 342 L CA 0.280 55.122 54.840 0.003 0.000 0.946 342 L CB -0.276 41.779 42.059 -0.005 0.000 1.216 342 L HN 0.506 nan 8.230 nan 0.000 0.493 343 G N 1.289 110.080 108.800 -0.014 0.000 2.273 343 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.280 343 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.280 343 G C 0.107 175.003 174.900 -0.007 0.000 1.047 343 G CA 0.047 45.144 45.100 -0.006 0.000 0.869 343 G HN 0.265 nan 8.290 nan 0.000 0.502 344 R N 0.022 120.495 120.500 -0.045 0.000 2.637 344 R HA 0.437 4.775 4.340 -0.003 0.000 0.291 344 R C 0.284 176.560 176.300 -0.041 0.000 0.963 344 R CA -0.714 55.352 56.100 -0.057 0.000 0.901 344 R CB 1.226 31.395 30.300 -0.218 0.000 1.160 344 R HN 0.528 nan 8.270 nan 0.000 0.457 345 E N 0.970 121.175 120.200 0.009 0.000 2.366 345 E HA 0.223 4.571 4.350 -0.003 0.000 0.266 345 E C -0.356 176.275 176.600 0.052 0.000 1.051 345 E CA -0.462 55.959 56.400 0.034 0.000 0.884 345 E CB 1.482 31.221 29.700 0.065 0.000 1.006 345 E HN 0.104 nan 8.360 nan 0.000 0.417 346 V N 2.774 122.724 119.914 0.061 0.000 2.612 346 V HA 0.150 4.268 4.120 -0.003 0.000 0.301 346 V C -0.994 175.205 176.094 0.175 0.000 1.046 346 V CA -0.488 61.865 62.300 0.088 0.000 0.946 346 V CB 1.048 32.892 31.823 0.035 0.000 1.003 346 V HN 0.586 nan 8.190 nan 0.000 0.459 347 Y N 3.439 123.783 120.300 0.073 0.000 2.646 347 Y HA 0.463 5.011 4.550 -0.003 0.000 0.334 347 Y C 0.051 176.026 175.900 0.126 0.000 1.004 347 Y CA -0.595 57.577 58.100 0.119 0.000 1.301 347 Y CB 0.915 39.510 38.460 0.225 0.000 1.093 347 Y HN 0.757 nan 8.280 nan 0.000 0.530 348 E N 3.325 123.428 120.200 -0.162 0.000 2.331 348 E HA 0.474 4.822 4.350 -0.003 0.000 0.272 348 E C -0.344 176.077 176.600 -0.298 0.000 1.036 348 E CA -0.133 56.177 56.400 -0.149 0.000 0.864 348 E CB 0.875 30.483 29.700 -0.153 0.000 1.035 348 E HN 0.686 nan 8.360 nan 0.000 0.408 349 T N 0.916 115.359 114.554 -0.185 0.000 2.716 349 T HA 0.594 4.943 4.350 -0.003 0.000 0.286 349 T C -2.707 171.786 174.700 -0.345 0.000 1.052 349 T CA -2.052 59.848 62.100 -0.332 0.000 1.024 349 T CB 1.472 70.141 68.868 -0.332 0.000 1.349 349 T HN 0.199 nan 8.240 nan 0.000 0.525 350 P HA 0.392 nan 4.420 nan 0.000 0.275 350 P C -0.249 176.927 177.300 -0.207 0.000 1.266 350 P CA -0.656 62.212 63.100 -0.386 0.000 0.793 350 P CB 0.275 31.687 31.700 -0.480 0.000 1.074 351 V N -0.141 119.733 119.914 -0.067 0.000 3.139 351 V HA 0.400 4.519 4.120 -0.003 0.000 0.307 351 V C 0.817 176.973 176.094 0.105 0.000 1.095 351 V CA 1.417 63.723 62.300 0.010 0.000 1.160 351 V CB -0.547 31.287 31.823 0.019 0.000 1.003 351 V HN 0.983 nan 8.190 nan 0.000 0.489 352 G N 2.610 111.449 108.800 0.065 0.000 3.448 352 G HA2 -0.167 3.791 3.960 -0.003 0.000 0.685 352 G HA3 -0.167 3.791 3.960 -0.003 0.000 0.685 352 G C -0.360 174.470 174.900 -0.117 0.000 1.151 352 G CA -0.126 44.980 45.100 0.011 0.000 1.023 352 G HN 0.732 nan 8.290 nan 0.000 0.499 353 F N 2.428 122.278 119.950 -0.167 0.000 2.307 353 F HA -0.129 4.397 4.527 -0.003 0.000 0.301 353 F C 2.805 178.442 175.800 -0.271 0.000 1.076 353 F CA 2.325 60.224 58.000 -0.169 0.000 1.383 353 F CB 0.211 39.221 39.000 0.017 0.000 1.055 353 F HN 0.703 nan 8.300 nan 0.000 0.526 354 K N -0.875 119.417 120.400 -0.179 0.000 2.218 354 K HA -0.247 4.071 4.320 -0.003 0.000 0.205 354 K C 1.507 177.874 176.600 -0.388 0.000 1.046 354 K CA 1.918 58.055 56.287 -0.250 0.000 0.933 354 K CB -0.961 31.368 32.500 -0.284 0.000 0.728 354 K HN 0.365 nan 8.250 nan 0.000 0.454 355 H N -0.479 118.347 119.070 -0.407 0.000 2.521 355 H HA -0.033 4.522 4.556 -0.003 0.000 0.286 355 H C 1.050 176.200 175.328 -0.298 0.000 1.034 355 H CA 0.945 56.769 56.048 -0.375 0.000 1.278 355 H CB -0.013 29.459 29.762 -0.484 0.000 1.386 355 H HN 0.297 nan 8.280 nan 0.000 0.567 356 F N -0.847 118.980 119.950 -0.204 0.000 2.714 356 F HA 0.053 4.578 4.527 -0.003 0.000 0.294 356 F C 2.287 177.865 175.800 -0.369 0.000 1.120 356 F CA -0.308 57.471 58.000 -0.367 0.000 1.398 356 F CB -0.752 37.803 39.000 -0.742 0.000 1.120 356 F HN -0.134 nan 8.300 nan 0.000 0.589 357 V N 0.934 120.783 119.914 -0.108 0.000 2.220 357 V HA -0.388 3.730 4.120 -0.003 0.000 0.250 357 V C 2.722 178.728 176.094 -0.147 0.000 1.056 357 V CA 2.323 64.571 62.300 -0.085 0.000 1.016 357 V CB -1.314 30.481 31.823 -0.048 0.000 0.639 357 V HN 0.351 nan 8.190 nan 0.000 0.446 358 A N 0.205 122.956 122.820 -0.114 0.000 1.884 358 A HA -0.222 4.096 4.320 -0.003 0.000 0.219 358 A C 2.432 179.781 177.584 -0.391 0.000 1.197 358 A CA 2.485 54.455 52.037 -0.111 0.000 0.637 358 A CB -1.512 17.528 19.000 0.066 0.000 0.827 358 A HN 0.619 nan 8.150 nan 0.000 0.450 359 G N -0.508 107.816 108.800 -0.792 0.000 2.440 359 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.218 359 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.218 359 G C 1.580 175.851 174.900 -1.048 0.000 1.154 359 G CA 1.123 45.121 45.100 -1.837 0.000 0.767 359 G HN 0.449 nan 8.290 nan 0.000 0.552 360 L N -0.572 120.296 121.223 -0.592 0.000 2.056 360 L HA 0.009 4.347 4.340 -0.003 0.000 0.207 360 L C 2.704 179.387 176.870 -0.312 0.000 1.078 360 L CA 0.395 54.996 54.840 -0.397 0.000 0.749 360 L CB -0.411 41.501 42.059 -0.246 0.000 0.901 360 L HN 0.212 nan 8.230 nan 0.000 0.433 361 L N 0.232 121.298 121.223 -0.260 0.000 2.012 361 L HA -0.218 4.120 4.340 -0.003 0.000 0.210 361 L C 2.153 178.931 176.870 -0.152 0.000 1.073 361 L CA 1.891 56.631 54.840 -0.166 0.000 0.748 361 L CB -0.413 41.577 42.059 -0.115 0.000 0.891 361 L HN 0.229 nan 8.230 nan 0.000 0.431 362 E N -1.206 118.877 120.200 -0.195 0.000 2.489 362 E HA 0.177 4.525 4.350 -0.003 0.000 0.193 362 E C 1.392 177.944 176.600 -0.079 0.000 1.057 362 E CA 0.524 56.879 56.400 -0.075 0.000 0.866 362 E CB -0.047 29.714 29.700 0.100 0.000 0.916 362 E HN 0.641 nan 8.360 nan 0.000 0.500 363 G N 1.534 110.199 108.800 -0.226 0.000 2.234 363 G HA2 -0.258 3.700 3.960 -0.003 0.000 0.260 363 G HA3 -0.258 3.700 3.960 -0.003 0.000 0.260 363 G C 0.656 175.486 174.900 -0.117 0.000 0.987 363 G CA 0.333 45.332 45.100 -0.169 0.000 0.625 363 G HN 0.507 nan 8.290 nan 0.000 0.532 364 W N 0.553 121.784 121.300 -0.116 0.000 3.204 364 W HA 0.559 5.217 4.660 -0.003 0.000 0.249 364 W C 0.027 176.464 176.519 -0.137 0.000 1.322 364 W CA 0.699 57.975 57.345 -0.114 0.000 1.593 364 W CB -0.690 28.697 29.460 -0.122 0.000 1.122 364 W HN 0.575 nan 8.180 nan 0.000 0.710 365 L N -1.918 119.138 121.223 -0.278 0.000 2.482 365 L HA 0.748 5.087 4.340 -0.003 0.000 0.269 365 L C 0.495 177.168 176.870 -0.328 0.000 0.967 365 L CA -1.068 53.639 54.840 -0.222 0.000 0.851 365 L CB 0.907 42.757 42.059 -0.348 0.000 1.242 365 L HN -0.057 nan 8.230 nan 0.000 0.404 366 G N 1.576 110.200 108.800 -0.292 0.000 2.551 366 G HA2 0.083 4.041 3.960 -0.003 0.000 0.216 366 G HA3 0.083 4.041 3.960 -0.003 0.000 0.216 366 G C -0.132 174.464 174.900 -0.507 0.000 1.137 366 G CA 0.619 45.203 45.100 -0.861 0.000 0.798 366 G HN 0.514 nan 8.290 nan 0.000 0.536 367 F N 0.424 120.257 119.950 -0.194 0.000 2.569 367 F HA 0.687 5.212 4.527 -0.003 0.000 0.312 367 F C -0.979 174.727 175.800 -0.157 0.000 1.109 367 F CA -1.374 56.615 58.000 -0.017 0.000 0.919 367 F CB 2.075 41.215 39.000 0.233 0.000 1.211 367 F HN 0.059 nan 8.300 nan 0.000 0.446 368 A N 3.985 126.270 122.820 -0.893 0.000 2.411 368 A HA 0.770 5.088 4.320 -0.003 0.000 0.285 368 A C -0.772 176.236 177.584 -0.960 0.000 1.129 368 A CA -0.102 51.298 52.037 -1.061 0.000 0.736 368 A CB 0.677 19.033 19.000 -1.073 0.000 1.186 368 A HN 1.207 nan 8.150 nan 0.000 0.445 369 G N 0.473 108.860 108.800 -0.688 0.000 2.537 369 G HA2 0.666 4.624 3.960 -0.003 0.000 0.308 369 G HA3 0.666 4.624 3.960 -0.003 0.000 0.308 369 G C -1.064 173.936 174.900 0.167 0.000 1.237 369 G CA -0.466 44.551 45.100 -0.139 0.000 0.968 369 G HN 0.732 nan 8.290 nan 0.000 0.481 370 E N -0.679 119.687 120.200 0.277 0.000 2.331 370 E HA 0.254 4.602 4.350 -0.003 0.000 0.275 370 E C 0.590 177.305 176.600 0.192 0.000 0.895 370 E CA -0.529 56.042 56.400 0.286 0.000 0.753 370 E CB 1.885 31.807 29.700 0.371 0.000 1.216 370 E HN 0.545 nan 8.360 nan 0.000 0.434 371 E N 0.714 120.998 120.200 0.140 0.000 2.267 371 E HA -0.190 4.158 4.350 -0.003 0.000 0.197 371 E C 0.982 177.600 176.600 0.030 0.000 0.998 371 E CA 1.566 57.999 56.400 0.055 0.000 0.830 371 E CB -0.177 29.533 29.700 0.018 0.000 0.751 371 E HN 0.265 nan 8.360 nan 0.000 0.491 372 S N 0.130 115.871 115.700 0.069 0.000 2.906 372 S HA 0.463 4.931 4.470 -0.003 0.000 0.234 372 S C 0.977 175.573 174.600 -0.006 0.000 0.973 372 S CA -0.126 58.096 58.200 0.038 0.000 1.036 372 S CB -0.525 62.712 63.200 0.062 0.000 0.798 372 S HN 0.798 nan 8.310 nan 0.000 0.498 373 A N -1.130 121.675 122.820 -0.025 0.000 2.930 373 A HA 0.084 4.402 4.320 -0.003 0.000 0.273 373 A C 0.640 178.176 177.584 -0.080 0.000 1.435 373 A CA 0.472 52.416 52.037 -0.156 0.000 0.780 373 A CB -1.877 16.964 19.000 -0.264 0.000 1.034 373 A HN 1.637 nan 8.150 nan 0.000 0.562 374 G N -1.523 107.347 108.800 0.116 0.000 2.666 374 G HA2 0.971 4.929 3.960 -0.003 0.000 0.303 374 G HA3 0.971 4.929 3.960 -0.003 0.000 0.303 374 G C -0.465 174.570 174.900 0.226 0.000 1.412 374 G CA 0.532 45.719 45.100 0.145 0.000 0.979 374 G HN 2.075 nan 8.290 nan 0.000 0.507 375 A N 1.148 124.080 122.820 0.186 0.000 2.581 375 A HA 0.960 5.278 4.320 -0.003 0.000 0.290 375 A C -0.609 176.982 177.584 0.011 0.000 1.119 375 A CA -0.265 51.841 52.037 0.116 0.000 0.670 375 A CB 1.652 20.686 19.000 0.056 0.000 1.280 375 A HN 1.848 nan 8.150 nan 0.000 0.425 376 S N -1.451 114.224 115.700 -0.043 0.000 2.587 376 S HA 0.850 5.318 4.470 -0.003 0.000 0.269 376 S C -1.769 172.785 174.600 -0.076 0.000 1.154 376 S CA -0.146 58.009 58.200 -0.076 0.000 0.824 376 S CB 1.021 64.234 63.200 0.021 0.000 1.118 376 S HN 1.933 nan 8.310 nan 0.000 0.462 377 F N 0.420 120.347 119.950 -0.038 0.000 2.711 377 F HA 0.798 5.323 4.527 -0.003 0.000 0.313 377 F C -1.545 174.167 175.800 -0.147 0.000 1.141 377 F CA -1.340 56.595 58.000 -0.107 0.000 0.941 377 F CB -0.085 38.990 39.000 0.124 0.000 1.349 377 F HN 0.435 nan 8.300 nan 0.000 0.464 378 L N 2.034 123.196 121.223 -0.100 0.000 2.472 378 L HA 0.432 4.770 4.340 -0.003 0.000 0.260 378 L C 0.669 177.658 176.870 0.198 0.000 1.209 378 L CA -0.122 54.628 54.840 -0.150 0.000 0.817 378 L CB 0.217 41.906 42.059 -0.616 0.000 1.106 378 L HN 0.661 nan 8.230 nan 0.000 0.479 379 R N 0.350 120.923 120.500 0.122 0.000 2.615 379 R HA 0.118 4.456 4.340 -0.003 0.000 0.270 379 R C 1.024 177.490 176.300 0.277 0.000 1.081 379 R CA -0.449 55.713 56.100 0.103 0.000 1.154 379 R CB 0.147 30.510 30.300 0.105 0.000 1.063 379 R HN 0.330 nan 8.270 nan 0.000 0.519 380 F N 1.355 121.446 119.950 0.236 0.000 2.111 380 F HA -0.261 4.264 4.527 -0.003 0.000 0.300 380 F C 1.851 177.762 175.800 0.185 0.000 1.088 380 F CA 2.020 60.113 58.000 0.155 0.000 1.243 380 F CB -0.454 38.558 39.000 0.020 0.000 0.996 380 F HN 0.633 nan 8.300 nan 0.000 0.483 381 D N -1.551 119.053 120.400 0.339 0.000 2.336 381 D HA 0.208 4.846 4.640 -0.003 0.000 0.229 381 D C 1.769 178.199 176.300 0.216 0.000 1.061 381 D CA 0.799 54.938 54.000 0.231 0.000 0.875 381 D CB -0.346 40.548 40.800 0.156 0.000 0.904 381 D HN 0.367 nan 8.370 nan 0.000 0.525 382 G N -0.162 108.801 108.800 0.271 0.000 2.175 382 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.244 382 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.244 382 G C 0.303 175.211 174.900 0.013 0.000 0.982 382 G CA -0.167 45.010 45.100 0.128 0.000 0.641 382 G HN 0.458 nan 8.290 nan 0.000 0.527 383 R N 0.814 121.342 120.500 0.046 0.000 2.500 383 R HA 0.505 4.844 4.340 -0.003 0.000 0.277 383 R C -2.478 173.816 176.300 -0.010 0.000 1.026 383 R CA -1.858 54.249 56.100 0.011 0.000 1.058 383 R CB 0.704 31.029 30.300 0.041 0.000 1.078 383 R HN 0.083 nan 8.270 nan 0.000 0.509 384 P HA -0.045 nan 4.420 nan 0.000 0.269 384 P C -0.691 176.617 177.300 0.014 0.000 1.209 384 P CA 0.169 63.234 63.100 -0.057 0.000 0.776 384 P CB 0.437 32.083 31.700 -0.090 0.000 0.876 385 F N 1.185 121.044 119.950 -0.153 0.000 2.539 385 F HA 0.325 4.850 4.527 -0.003 0.000 0.277 385 F C 0.382 176.094 175.800 -0.146 0.000 0.925 385 F CA 0.587 58.486 58.000 -0.168 0.000 1.193 385 F CB 0.057 38.904 39.000 -0.256 0.000 1.128 385 F HN 0.235 nan 8.300 nan 0.000 0.740 386 S N -0.223 115.304 115.700 -0.289 0.000 2.672 386 S HA 0.362 4.830 4.470 -0.003 0.000 0.291 386 S C 0.171 174.698 174.600 -0.121 0.000 1.145 386 S CA -0.024 57.994 58.200 -0.302 0.000 1.013 386 S CB 1.028 64.066 63.200 -0.269 0.000 1.017 386 S HN 0.379 nan 8.310 nan 0.000 0.487 387 T N 0.542 115.039 114.554 -0.096 0.000 3.169 387 T HA 0.236 4.585 4.350 -0.003 0.000 0.250 387 T C 0.159 174.945 174.700 0.143 0.000 1.111 387 T CA -0.077 62.025 62.100 0.005 0.000 1.010 387 T CB -0.185 68.659 68.868 -0.041 0.000 0.984 387 T HN 0.502 nan 8.240 nan 0.000 0.537 388 D N 0.703 121.112 120.400 0.014 0.000 2.493 388 D HA 0.355 4.993 4.640 -0.003 0.000 0.239 388 D C -0.667 175.374 176.300 -0.432 0.000 1.049 388 D CA -0.918 52.998 54.000 -0.140 0.000 1.008 388 D CB 1.896 42.598 40.800 -0.164 0.000 1.398 388 D HN 0.023 nan 8.370 nan 0.000 0.513 389 K N 0.868 120.730 120.400 -0.898 0.000 2.489 389 K HA 0.066 4.385 4.320 -0.003 0.000 0.278 389 K C -0.402 176.023 176.600 -0.291 0.000 1.000 389 K CA 0.402 56.269 56.287 -0.700 0.000 1.012 389 K CB 0.390 32.514 32.500 -0.626 0.000 0.903 389 K HN 0.205 nan 8.250 nan 0.000 0.485 390 D N 2.230 122.536 120.400 -0.157 0.000 2.420 390 D HA 0.168 4.806 4.640 -0.003 0.000 0.255 390 D C 0.718 177.018 176.300 0.001 0.000 1.185 390 D CA -0.449 53.511 54.000 -0.066 0.000 0.904 390 D CB 1.210 42.007 40.800 -0.005 0.000 1.102 390 D HN 0.633 nan 8.370 nan 0.000 0.534 391 G N 2.601 111.419 108.800 0.032 0.000 2.534 391 G HA2 -0.109 3.849 3.960 -0.003 0.000 0.217 391 G HA3 -0.109 3.849 3.960 -0.003 0.000 0.217 391 G C 1.478 176.467 174.900 0.148 0.000 1.128 391 G CA 0.328 45.514 45.100 0.142 0.000 0.784 391 G HN 0.561 nan 8.290 nan 0.000 0.542 392 I N -0.487 120.098 120.570 0.025 0.000 2.400 392 I HA 0.038 4.206 4.170 -0.003 0.000 0.248 392 I C 2.426 178.592 176.117 0.080 0.000 1.109 392 I CA 0.089 61.342 61.300 -0.077 0.000 1.425 392 I CB -0.051 37.651 38.000 -0.496 0.000 1.094 392 I HN 0.140 nan 8.210 nan 0.000 0.425 393 L N 0.518 121.804 121.223 0.105 0.000 1.976 393 L HA -0.214 4.124 4.340 -0.003 0.000 0.209 393 L C 2.461 179.418 176.870 0.145 0.000 1.071 393 L CA 2.030 56.911 54.840 0.068 0.000 0.746 393 L CB -0.525 41.480 42.059 -0.089 0.000 0.890 393 L HN 0.117 nan 8.230 nan 0.000 0.432 394 M N -0.381 119.277 119.600 0.096 0.000 2.144 394 M HA -0.157 4.321 4.480 -0.003 0.000 0.260 394 M C 2.254 178.649 176.300 0.159 0.000 1.067 394 M CA 1.732 57.090 55.300 0.097 0.000 1.095 394 M CB -2.228 30.095 32.600 -0.462 0.000 1.365 394 M HN 0.480 nan 8.290 nan 0.000 0.406 395 G N -0.223 108.683 108.800 0.176 0.000 2.402 395 G HA2 -0.140 3.818 3.960 -0.003 0.000 0.216 395 G HA3 -0.140 3.818 3.960 -0.003 0.000 0.216 395 G C 1.710 176.776 174.900 0.277 0.000 1.162 395 G CA 0.394 45.636 45.100 0.237 0.000 0.777 395 G HN 0.414 nan 8.290 nan 0.000 0.539 396 L N -0.345 121.089 121.223 0.351 0.000 2.093 396 L HA 0.001 4.339 4.340 -0.003 0.000 0.208 396 L C 2.681 179.690 176.870 0.232 0.000 1.085 396 L CA 0.391 55.404 54.840 0.288 0.000 0.755 396 L CB -0.375 41.825 42.059 0.235 0.000 0.904 396 L HN 0.216 nan 8.230 nan 0.000 0.435 397 L N 0.357 121.749 121.223 0.282 0.000 2.079 397 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 397 L C 2.619 179.659 176.870 0.283 0.000 1.081 397 L CA 1.940 56.961 54.840 0.303 0.000 0.752 397 L CB -0.680 41.620 42.059 0.401 0.000 0.896 397 L HN 0.154 nan 8.230 nan 0.000 0.433 398 A N -0.738 122.272 122.820 0.317 0.000 1.978 398 A HA -0.096 4.223 4.320 -0.003 0.000 0.220 398 A C 2.402 180.072 177.584 0.143 0.000 1.170 398 A CA 1.750 53.959 52.037 0.287 0.000 0.636 398 A CB -0.951 18.129 19.000 0.135 0.000 0.810 398 A HN 0.571 nan 8.150 nan 0.000 0.448 399 A N -0.639 122.251 122.820 0.116 0.000 1.930 399 A HA -0.046 4.272 4.320 -0.003 0.000 0.215 399 A C 2.013 179.637 177.584 0.066 0.000 1.176 399 A CA 1.396 53.476 52.037 0.072 0.000 0.632 399 A CB -0.434 18.606 19.000 0.067 0.000 0.819 399 A HN 0.627 nan 8.150 nan 0.000 0.445 400 E N 0.092 120.354 120.200 0.103 0.000 2.058 400 E HA -0.217 4.131 4.350 -0.003 0.000 0.194 400 E C 1.985 178.596 176.600 0.019 0.000 0.997 400 E CA 1.349 57.816 56.400 0.110 0.000 0.801 400 E CB -0.244 29.570 29.700 0.190 0.000 0.746 400 E HN 0.589 nan 8.360 nan 0.000 0.450 401 L N 0.440 121.610 121.223 -0.089 0.000 2.013 401 L HA -0.220 4.118 4.340 -0.003 0.000 0.212 401 L C 2.702 179.400 176.870 -0.287 0.000 1.073 401 L CA 1.845 56.364 54.840 -0.535 0.000 0.753 401 L CB -0.203 41.680 42.059 -0.293 0.000 0.890 401 L HN 0.324 nan 8.230 nan 0.000 0.432 402 M N -1.170 118.374 119.600 -0.093 0.000 2.394 402 M HA -0.107 4.371 4.480 -0.003 0.000 0.264 402 M C 2.003 178.285 176.300 -0.031 0.000 1.073 402 M CA 1.452 56.728 55.300 -0.041 0.000 1.111 402 M CB 0.004 32.608 32.600 0.006 0.000 1.401 402 M HN 0.434 nan 8.290 nan 0.000 0.448 403 A N 0.725 123.532 122.820 -0.023 0.000 1.855 403 A HA -0.108 4.210 4.320 -0.003 0.000 0.213 403 A C 1.997 179.578 177.584 -0.005 0.000 1.195 403 A CA 1.436 53.473 52.037 0.000 0.000 0.610 403 A CB -0.354 18.660 19.000 0.023 0.000 0.837 403 A HN 0.512 nan 8.150 nan 0.000 0.444 404 K N -0.588 119.805 120.400 -0.012 0.000 2.217 404 K HA 0.012 4.330 4.320 -0.003 0.000 0.202 404 K C 1.943 178.538 176.600 -0.008 0.000 1.051 404 K CA 1.048 57.343 56.287 0.013 0.000 0.952 404 K CB -0.041 32.520 32.500 0.102 0.000 0.736 404 K HN 0.313 nan 8.250 nan 0.000 0.453 405 R N -0.397 120.065 120.500 -0.062 0.000 2.290 405 R HA 0.073 4.412 4.340 -0.003 0.000 0.197 405 R C 0.920 177.209 176.300 -0.019 0.000 0.913 405 R CA 0.551 56.627 56.100 -0.040 0.000 1.040 405 R CB 0.570 30.825 30.300 -0.077 0.000 0.992 405 R HN 0.339 nan 8.270 nan 0.000 0.500 406 G N 2.271 111.060 108.800 -0.018 0.000 2.168 406 G HA2 -0.335 3.623 3.960 -0.003 0.000 0.257 406 G HA3 -0.335 3.623 3.960 -0.003 0.000 0.257 406 G C -0.107 174.793 174.900 0.000 0.000 0.997 406 G CA 0.967 46.064 45.100 -0.004 0.000 0.708 406 G HN 0.503 nan 8.290 nan 0.000 0.520 407 Q N -1.159 118.638 119.800 -0.005 0.000 2.345 407 Q HA 0.791 5.129 4.340 -0.003 0.000 0.275 407 Q C -0.073 175.936 176.000 0.015 0.000 1.063 407 Q CA -0.478 55.330 55.803 0.009 0.000 0.819 407 Q CB 1.662 30.408 28.738 0.013 0.000 1.356 407 Q HN 1.248 nan 8.270 nan 0.000 0.418 408 A N 3.065 125.905 122.820 0.034 0.000 2.448 408 A HA 0.285 4.603 4.320 -0.003 0.000 0.239 408 A C -1.740 175.895 177.584 0.085 0.000 1.080 408 A CA -0.921 51.149 52.037 0.055 0.000 0.779 408 A CB -0.319 18.717 19.000 0.061 0.000 1.026 408 A HN 0.788 nan 8.150 nan 0.000 0.499 409 P HA -0.163 nan 4.420 nan 0.000 0.216 409 P C 0.811 178.245 177.300 0.224 0.000 1.150 409 P CA 1.607 64.829 63.100 0.203 0.000 0.837 409 P CB 0.037 31.936 31.700 0.332 0.000 0.786 410 D N -0.453 120.065 120.400 0.196 0.000 2.224 410 D HA -0.063 4.575 4.640 -0.003 0.000 0.205 410 D C 1.692 178.112 176.300 0.201 0.000 0.965 410 D CA 1.139 55.276 54.000 0.228 0.000 0.852 410 D CB -0.896 40.009 40.800 0.176 0.000 0.947 410 D HN 0.098 nan 8.370 nan 0.000 0.494 411 A N 0.468 123.363 122.820 0.125 0.000 2.014 411 A HA 0.047 4.366 4.320 -0.003 0.000 0.218 411 A C 2.164 179.780 177.584 0.052 0.000 1.163 411 A CA 0.816 52.897 52.037 0.074 0.000 0.652 411 A CB -0.542 18.488 19.000 0.050 0.000 0.808 411 A HN 0.278 nan 8.150 nan 0.000 0.449 412 L N -1.544 119.728 121.223 0.081 0.000 2.095 412 L HA -0.037 4.302 4.340 -0.003 0.000 0.204 412 L C 2.229 179.120 176.870 0.035 0.000 1.080 412 L CA 2.147 57.019 54.840 0.053 0.000 0.759 412 L CB -0.972 41.138 42.059 0.085 0.000 0.914 412 L HN 0.507 nan 8.230 nan 0.000 0.439 413 Y N 0.429 120.734 120.300 0.008 0.000 2.181 413 Y HA -0.203 4.346 4.550 -0.003 0.000 0.288 413 Y C 2.340 178.204 175.900 -0.059 0.000 1.146 413 Y CA 1.969 60.057 58.100 -0.020 0.000 1.164 413 Y CB -0.232 38.240 38.460 0.020 0.000 0.982 413 Y HN 0.278 nan 8.280 nan 0.000 0.515 414 E N 0.547 120.585 120.200 -0.270 0.000 2.085 414 E HA -0.210 4.138 4.350 -0.003 0.000 0.194 414 E C 2.425 178.854 176.600 -0.285 0.000 0.994 414 E CA 1.268 57.470 56.400 -0.330 0.000 0.801 414 E CB -0.653 28.992 29.700 -0.092 0.000 0.743 414 E HN 0.599 nan 8.360 nan 0.000 0.453 415 A N 0.854 123.563 122.820 -0.185 0.000 1.898 415 A HA -0.108 4.210 4.320 -0.003 0.000 0.216 415 A C 2.393 179.856 177.584 -0.203 0.000 1.181 415 A CA 0.958 52.902 52.037 -0.155 0.000 0.620 415 A CB -0.620 18.317 19.000 -0.105 0.000 0.819 415 A HN 0.177 nan 8.150 nan 0.000 0.442 416 L N -0.789 120.284 121.223 -0.250 0.000 2.093 416 L HA -0.158 4.181 4.340 -0.003 0.000 0.208 416 L C 3.061 179.786 176.870 -0.241 0.000 1.085 416 L CA 0.972 55.663 54.840 -0.249 0.000 0.755 416 L CB -0.488 41.441 42.059 -0.217 0.000 0.904 416 L HN 0.423 nan 8.230 nan 0.000 0.435 417 A N -0.501 122.091 122.820 -0.380 0.000 1.933 417 A HA -0.175 4.143 4.320 -0.003 0.000 0.218 417 A C 2.242 179.723 177.584 -0.172 0.000 1.175 417 A CA 1.347 53.190 52.037 -0.325 0.000 0.628 417 A CB -0.292 18.339 19.000 -0.616 0.000 0.814 417 A HN 0.309 nan 8.150 nan 0.000 0.444 418 E N -0.233 119.862 120.200 -0.176 0.000 2.072 418 E HA -0.172 4.176 4.350 -0.003 0.000 0.191 418 E C 2.005 178.554 176.600 -0.084 0.000 0.985 418 E CA 1.463 57.801 56.400 -0.103 0.000 0.801 418 E CB -0.224 29.419 29.700 -0.095 0.000 0.750 418 E HN 0.756 nan 8.360 nan 0.000 0.452 419 K N 0.425 120.762 120.400 -0.105 0.000 2.076 419 K HA -0.000 4.318 4.320 -0.003 0.000 0.204 419 K C 1.971 178.515 176.600 -0.094 0.000 1.051 419 K CA 0.619 56.850 56.287 -0.093 0.000 0.949 419 K CB 0.161 32.599 32.500 -0.105 0.000 0.726 419 K HN 0.049 nan 8.250 nan 0.000 0.443 420 L N -0.510 120.646 121.223 -0.111 0.000 2.638 420 L HA 0.354 4.692 4.340 -0.003 0.000 0.232 420 L C 0.333 177.106 176.870 -0.163 0.000 1.099 420 L CA -0.023 54.739 54.840 -0.129 0.000 0.883 420 L CB 0.986 42.968 42.059 -0.129 0.000 1.136 420 L HN 0.339 nan 8.230 nan 0.000 0.492 421 G N 1.259 110.008 108.800 -0.086 0.000 2.764 421 G HA2 -0.082 3.877 3.960 -0.003 0.000 0.678 421 G HA3 -0.082 3.877 3.960 -0.003 0.000 0.678 421 G C -1.165 173.888 174.900 0.254 0.000 1.341 421 G CA -0.946 44.159 45.100 0.009 0.000 0.836 421 G HN 0.092 nan 8.290 nan 0.000 0.632 422 R N 3.813 124.511 120.500 0.331 0.000 2.202 422 R HA 0.570 4.908 4.340 -0.003 0.000 0.334 422 R C -2.014 174.462 176.300 0.293 0.000 1.036 422 R CA -1.717 54.521 56.100 0.230 0.000 0.878 422 R CB 1.194 31.547 30.300 0.088 0.000 1.067 422 R HN 0.411 nan 8.270 nan 0.000 0.457 423 P HA 0.097 nan 4.420 nan 0.000 0.278 423 P C -1.524 175.629 177.300 -0.245 0.000 1.238 423 P CA -0.169 62.749 63.100 -0.302 0.000 0.794 423 P CB 0.794 32.403 31.700 -0.153 0.000 0.955 424 Y N 1.065 121.299 120.300 -0.109 0.000 2.327 424 Y HA 0.364 4.912 4.550 -0.003 0.000 0.325 424 Y C -0.264 175.637 175.900 0.001 0.000 0.999 424 Y CA -0.709 57.399 58.100 0.014 0.000 1.195 424 Y CB 1.774 40.227 38.460 -0.011 0.000 1.132 424 Y HN 0.323 nan 8.280 nan 0.000 0.455 425 Y N 2.442 122.764 120.300 0.037 0.000 2.377 425 Y HA 0.822 5.370 4.550 -0.003 0.000 0.339 425 Y C -0.647 175.251 175.900 -0.002 0.000 1.011 425 Y CA -0.860 57.237 58.100 -0.005 0.000 1.093 425 Y CB 1.220 39.703 38.460 0.038 0.000 1.201 425 Y HN 0.642 nan 8.280 nan 0.000 0.455 426 A N 5.543 128.276 122.820 -0.145 0.000 2.414 426 A HA 0.806 5.124 4.320 -0.003 0.000 0.306 426 A C -1.558 175.964 177.584 -0.104 0.000 1.054 426 A CA -0.845 51.161 52.037 -0.052 0.000 0.724 426 A CB 1.574 20.504 19.000 -0.116 0.000 1.267 426 A HN 0.702 nan 8.150 nan 0.000 0.418 427 R N 1.176 121.688 120.500 0.020 0.000 2.740 427 R HA 0.769 5.107 4.340 -0.003 0.000 0.282 427 R C -1.082 175.152 176.300 -0.110 0.000 0.969 427 R CA -0.410 55.669 56.100 -0.036 0.000 0.918 427 R CB 1.197 31.555 30.300 0.095 0.000 1.175 427 R HN 0.744 nan 8.270 nan 0.000 0.464 428 K N 2.576 122.861 120.400 -0.191 0.000 2.571 428 K HA 0.276 4.594 4.320 -0.003 0.000 0.252 428 K C -1.671 174.834 176.600 -0.159 0.000 0.956 428 K CA -0.598 55.601 56.287 -0.147 0.000 0.822 428 K CB 1.261 33.677 32.500 -0.141 0.000 1.286 428 K HN 0.653 nan 8.250 nan 0.000 0.439 429 D N 4.897 125.233 120.400 -0.106 0.000 2.233 429 D HA 0.278 4.916 4.640 -0.003 0.000 0.240 429 D C -0.369 175.902 176.300 -0.049 0.000 1.074 429 D CA -0.221 53.730 54.000 -0.081 0.000 0.838 429 D CB 1.422 42.189 40.800 -0.055 0.000 1.124 429 D HN 0.392 nan 8.370 nan 0.000 0.475 430 L N 4.083 125.284 121.223 -0.038 0.000 2.276 430 L HA 0.330 4.668 4.340 -0.003 0.000 0.286 430 L C -2.325 174.562 176.870 0.028 0.000 1.024 430 L CA -1.848 52.995 54.840 0.005 0.000 0.826 430 L CB 1.404 43.462 42.059 -0.003 0.000 1.211 430 L HN -0.038 nan 8.230 nan 0.000 0.422 431 P HA 0.114 nan 4.420 nan 0.000 0.271 431 P C -0.863 176.462 177.300 0.042 0.000 1.216 431 P CA -0.173 62.943 63.100 0.026 0.000 0.776 431 P CB 1.149 32.858 31.700 0.015 0.000 0.881 432 V N -0.318 119.617 119.914 0.036 0.000 2.876 432 V HA 0.659 4.777 4.120 -0.003 0.000 0.312 432 V C -0.009 176.100 176.094 0.025 0.000 1.085 432 V CA -1.136 61.188 62.300 0.040 0.000 0.945 432 V CB 1.532 33.386 31.823 0.053 0.000 1.017 432 V HN 0.593 nan 8.190 nan 0.000 0.428 433 S N 2.315 118.027 115.700 0.019 0.000 2.566 433 S HA 0.216 4.684 4.470 -0.003 0.000 0.280 433 S C -1.612 172.999 174.600 0.018 0.000 1.343 433 S CA 0.064 58.272 58.200 0.013 0.000 1.036 433 S CB 0.340 63.544 63.200 0.008 0.000 0.866 433 S HN 0.746 nan 8.310 nan 0.000 0.526 434 P HA -0.081 nan 4.420 nan 0.000 0.219 434 P C 0.947 178.259 177.300 0.020 0.000 1.146 434 P CA 1.167 64.278 63.100 0.018 0.000 0.808 434 P CB 0.037 31.747 31.700 0.015 0.000 0.779 435 E N -0.524 119.687 120.200 0.018 0.000 2.072 435 E HA -0.058 4.290 4.350 -0.003 0.000 0.190 435 E C 2.131 178.745 176.600 0.024 0.000 0.982 435 E CA 1.341 57.752 56.400 0.019 0.000 0.803 435 E CB -1.221 28.488 29.700 0.015 0.000 0.755 435 E HN 0.126 nan 8.360 nan 0.000 0.453 436 A N 0.799 123.635 122.820 0.028 0.000 1.969 436 A HA -0.154 4.164 4.320 -0.003 0.000 0.218 436 A C 2.017 179.624 177.584 0.038 0.000 1.169 436 A CA 1.583 53.642 52.037 0.036 0.000 0.635 436 A CB -0.335 18.692 19.000 0.045 0.000 0.810 436 A HN 0.067 nan 8.150 nan 0.000 0.445 437 K N 0.397 120.818 120.400 0.035 0.000 2.152 437 K HA -0.010 4.308 4.320 -0.003 0.000 0.206 437 K C 1.801 178.422 176.600 0.034 0.000 1.048 437 K CA 1.575 57.883 56.287 0.035 0.000 0.933 437 K CB -0.439 32.080 32.500 0.031 0.000 0.721 437 K HN 0.352 nan 8.250 nan 0.000 0.447 438 A N 0.074 122.912 122.820 0.031 0.000 1.975 438 A HA 0.009 4.327 4.320 -0.003 0.000 0.215 438 A C 2.043 179.645 177.584 0.031 0.000 1.170 438 A CA 0.886 52.941 52.037 0.029 0.000 0.656 438 A CB -0.247 18.768 19.000 0.025 0.000 0.821 438 A HN 0.247 nan 8.150 nan 0.000 0.449 439 R N -1.070 119.450 120.500 0.033 0.000 2.090 439 R HA -0.031 4.307 4.340 -0.003 0.000 0.228 439 R C 2.039 178.363 176.300 0.039 0.000 1.110 439 R CA 1.159 57.279 56.100 0.034 0.000 0.973 439 R CB -0.418 29.903 30.300 0.035 0.000 0.869 439 R HN 0.481 nan 8.270 nan 0.000 0.440 440 L N 0.885 122.134 121.223 0.042 0.000 2.042 440 L HA -0.104 4.234 4.340 -0.003 0.000 0.210 440 L C 2.053 178.949 176.870 0.045 0.000 1.076 440 L CA 2.002 56.870 54.840 0.047 0.000 0.749 440 L CB -0.617 41.471 42.059 0.050 0.000 0.893 440 L HN 0.090 nan 8.230 nan 0.000 0.432 441 A N -0.920 121.925 122.820 0.040 0.000 2.225 441 A HA -0.091 4.227 4.320 -0.003 0.000 0.215 441 A C 1.991 179.596 177.584 0.034 0.000 1.164 441 A CA 1.056 53.116 52.037 0.038 0.000 0.710 441 A CB -0.515 18.506 19.000 0.035 0.000 0.780 441 A HN 0.550 nan 8.150 nan 0.000 0.473 442 R N -1.554 118.966 120.500 0.034 0.000 2.476 442 R HA 0.215 4.553 4.340 -0.003 0.000 0.276 442 R C -0.244 176.076 176.300 0.033 0.000 0.941 442 R CA -0.486 55.632 56.100 0.031 0.000 1.088 442 R CB -0.354 29.963 30.300 0.029 0.000 1.216 442 R HN 0.419 nan 8.270 nan 0.000 0.533 443 L N 2.484 123.730 121.223 0.038 0.000 2.490 443 L HA 0.046 4.385 4.340 -0.003 0.000 0.274 443 L C 0.341 177.234 176.870 0.038 0.000 1.201 443 L CA 0.473 55.338 54.840 0.042 0.000 0.869 443 L CB 0.797 42.886 42.059 0.051 0.000 1.123 443 L HN 0.184 nan 8.230 nan 0.000 0.484 444 S N 3.205 118.928 115.700 0.038 0.000 2.806 444 S HA 0.776 5.244 4.470 -0.003 0.000 0.306 444 S C 0.843 175.465 174.600 0.037 0.000 1.167 444 S CA -0.308 57.911 58.200 0.032 0.000 0.847 444 S CB 0.908 64.125 63.200 0.029 0.000 1.216 444 S HN 0.845 nan 8.310 nan 0.000 0.532 445 A N 0.955 123.793 122.820 0.030 0.000 1.940 445 A HA -0.069 4.249 4.320 -0.003 0.000 0.219 445 A C 2.054 179.693 177.584 0.092 0.000 1.176 445 A CA 1.775 53.834 52.037 0.036 0.000 0.631 445 A CB -1.050 17.966 19.000 0.027 0.000 0.814 445 A HN 0.821 nan 8.150 nan 0.000 0.446 446 K N -0.719 119.731 120.400 0.085 0.000 2.063 446 K HA -0.194 4.124 4.320 -0.003 0.000 0.208 446 K C 1.846 178.501 176.600 0.092 0.000 1.048 446 K CA 1.802 58.143 56.287 0.089 0.000 0.928 446 K CB -0.126 32.405 32.500 0.053 0.000 0.713 446 K HN 0.466 nan 8.250 nan 0.000 0.442 447 E N -0.261 119.985 120.200 0.076 0.000 2.285 447 E HA -0.043 4.305 4.350 -0.003 0.000 0.194 447 E C -0.079 176.577 176.600 0.093 0.000 0.997 447 E CA 0.481 56.926 56.400 0.074 0.000 0.845 447 E CB 0.436 30.172 29.700 0.060 0.000 0.782 447 E HN -0.067 nan 8.360 nan 0.000 0.491 448 V N 1.786 121.762 119.914 0.102 0.000 2.266 448 V HA 0.183 4.302 4.120 -0.003 0.000 0.266 448 V C -0.676 175.485 176.094 0.112 0.000 1.036 448 V CA -0.575 61.792 62.300 0.111 0.000 0.828 448 V CB 0.467 32.352 31.823 0.103 0.000 1.081 448 V HN 0.199 nan 8.190 nan 0.000 0.449 449 H N 5.086 124.187 119.070 0.051 0.000 2.488 449 H HA 0.418 4.972 4.556 -0.003 0.000 0.237 449 H C -2.374 172.982 175.328 0.047 0.000 1.395 449 H CA -1.364 54.708 56.048 0.038 0.000 1.491 449 H CB 1.635 31.412 29.762 0.024 0.000 1.567 449 H HN 0.465 nan 8.280 nan 0.000 0.508 450 P HA 0.133 nan 4.420 nan 0.000 0.276 450 P C 0.726 178.147 177.300 0.202 0.000 1.261 450 P CA -0.339 62.866 63.100 0.175 0.000 0.800 450 P CB 1.493 33.277 31.700 0.140 0.000 1.066 451 S N -1.467 114.319 115.700 0.144 0.000 2.492 451 S HA 0.092 4.560 4.470 -0.003 0.000 0.218 451 S C 0.862 175.521 174.600 0.098 0.000 1.016 451 S CA 0.586 58.863 58.200 0.127 0.000 0.916 451 S CB -0.651 62.601 63.200 0.086 0.000 0.791 451 S HN 0.824 nan 8.310 nan 0.000 0.513 452 T N -0.418 114.189 114.554 0.090 0.000 2.896 452 T HA 0.719 5.067 4.350 -0.003 0.000 0.297 452 T C -1.446 173.309 174.700 0.092 0.000 1.108 452 T CA -0.847 61.303 62.100 0.082 0.000 1.004 452 T CB 1.726 70.634 68.868 0.067 0.000 1.159 452 T HN 0.248 nan 8.240 nan 0.000 0.499 453 L N 2.197 123.479 121.223 0.099 0.000 2.404 453 L HA 0.721 5.059 4.340 -0.003 0.000 0.272 453 L C 0.466 177.383 176.870 0.077 0.000 0.980 453 L CA 0.528 55.433 54.840 0.108 0.000 0.836 453 L CB 0.944 43.100 42.059 0.161 0.000 1.238 453 L HN 1.563 nan 8.230 nan 0.000 0.408 454 A N 3.974 126.790 122.820 -0.006 0.000 2.560 454 A HA 0.140 4.458 4.320 -0.003 0.000 0.299 454 A C 1.479 179.112 177.584 0.081 0.000 1.484 454 A CA 1.394 53.379 52.037 -0.088 0.000 0.749 454 A CB -2.190 16.541 19.000 -0.449 0.000 1.072 454 A HN 2.585 nan 8.150 nan 0.000 0.426 455 G N -1.650 107.192 108.800 0.069 0.000 2.179 455 G HA2 -0.188 3.770 3.960 -0.003 0.000 0.257 455 G HA3 -0.188 3.770 3.960 -0.003 0.000 0.257 455 G C -0.125 174.836 174.900 0.103 0.000 1.010 455 G CA 1.286 46.437 45.100 0.085 0.000 0.736 455 G HN 1.763 nan 8.290 nan 0.000 0.513 456 E N -0.081 120.189 120.200 0.116 0.000 2.293 456 E HA 0.560 4.908 4.350 -0.003 0.000 0.270 456 E C -2.763 173.892 176.600 0.091 0.000 0.879 456 E CA -2.631 53.833 56.400 0.107 0.000 0.756 456 E CB 2.252 32.038 29.700 0.143 0.000 1.208 456 E HN 0.032 nan 8.360 nan 0.000 0.428 457 P HA 0.003 nan 4.420 nan 0.000 0.267 457 P C -0.862 176.480 177.300 0.070 0.000 1.209 457 P CA -0.183 62.957 63.100 0.067 0.000 0.763 457 P CB 0.626 32.359 31.700 0.054 0.000 0.816 458 V N 5.971 125.927 119.914 0.070 0.000 2.421 458 V HA -0.023 4.095 4.120 -0.003 0.000 0.271 458 V C 1.790 177.907 176.094 0.038 0.000 1.031 458 V CA 0.560 62.890 62.300 0.050 0.000 1.032 458 V CB -0.100 31.742 31.823 0.033 0.000 1.009 458 V HN 0.553 nan 8.190 nan 0.000 0.477 459 L N 4.352 125.593 121.223 0.030 0.000 2.095 459 L HA 0.054 4.392 4.340 -0.003 0.000 0.204 459 L C 0.993 177.862 176.870 -0.000 0.000 1.080 459 L CA 0.982 55.836 54.840 0.022 0.000 0.759 459 L CB -0.168 41.906 42.059 0.026 0.000 0.914 459 L HN 0.833 nan 8.230 nan 0.000 0.439 460 Q N -1.176 118.601 119.800 -0.037 0.000 2.527 460 Q HA 0.518 4.856 4.340 -0.003 0.000 0.280 460 Q C -1.609 174.298 176.000 -0.155 0.000 0.977 460 Q CA -0.712 55.046 55.803 -0.075 0.000 0.837 460 Q CB 2.500 31.207 28.738 -0.052 0.000 1.454 460 Q HN -0.180 nan 8.270 nan 0.000 0.387 461 V N 2.728 122.514 119.914 -0.213 0.000 2.444 461 V HA 0.537 4.655 4.120 -0.003 0.000 0.294 461 V C -0.505 175.495 176.094 -0.157 0.000 1.022 461 V CA -0.512 61.628 62.300 -0.267 0.000 0.850 461 V CB 1.241 32.770 31.823 -0.490 0.000 0.992 461 V HN 0.654 nan 8.190 nan 0.000 0.426 462 L N 4.118 125.258 121.223 -0.139 0.000 2.341 462 L HA 0.738 5.076 4.340 -0.003 0.000 0.267 462 L C -0.200 176.621 176.870 -0.082 0.000 1.009 462 L CA -0.593 54.187 54.840 -0.100 0.000 0.819 462 L CB 2.161 44.154 42.059 -0.109 0.000 1.323 462 L HN 0.785 nan 8.230 nan 0.000 0.425 463 D N -1.288 119.075 120.400 -0.061 0.000 2.651 463 D HA 0.192 4.831 4.640 -0.003 0.000 0.280 463 D C -0.020 176.249 176.300 -0.052 0.000 1.496 463 D CA -0.357 53.616 54.000 -0.045 0.000 0.792 463 D CB 0.578 41.366 40.800 -0.020 0.000 1.144 463 D HN 0.143 nan 8.370 nan 0.000 0.470 464 R N 0.294 120.752 120.500 -0.071 0.000 2.740 464 R HA 0.796 5.134 4.340 -0.003 0.000 0.273 464 R C -1.088 175.141 176.300 -0.117 0.000 0.998 464 R CA -0.872 55.178 56.100 -0.083 0.000 0.900 464 R CB 2.048 32.309 30.300 -0.066 0.000 1.223 464 R HN 0.100 nan 8.270 nan 0.000 0.466 465 A N 0.635 123.366 122.820 -0.148 0.000 2.320 465 A HA 0.269 4.587 4.320 -0.003 0.000 0.287 465 A C 1.279 178.752 177.584 -0.184 0.000 1.181 465 A CA -0.148 51.773 52.037 -0.194 0.000 0.831 465 A CB 0.378 19.220 19.000 -0.263 0.000 1.102 465 A HN 0.810 nan 8.150 nan 0.000 0.513 466 T N 0.818 115.265 114.554 -0.178 0.000 2.929 466 T HA -0.048 4.300 4.350 -0.003 0.000 0.271 466 T C 1.615 176.208 174.700 -0.178 0.000 1.085 466 T CA 1.624 63.636 62.100 -0.147 0.000 1.125 466 T CB -0.365 68.431 68.868 -0.121 0.000 0.874 466 T HN 0.759 nan 8.240 nan 0.000 0.494 467 G N 2.701 111.306 108.800 -0.325 0.000 2.662 467 G HA2 -0.135 3.824 3.960 -0.003 0.000 0.215 467 G HA3 -0.135 3.824 3.960 -0.003 0.000 0.215 467 G C 1.528 176.228 174.900 -0.334 0.000 1.310 467 G CA 0.643 45.398 45.100 -0.575 0.000 0.849 467 G HN 0.733 nan 8.290 nan 0.000 0.568 468 N N -0.108 118.388 118.700 -0.340 0.000 2.300 468 N HA 0.184 4.922 4.740 -0.003 0.000 0.179 468 N C 1.548 177.028 175.510 -0.050 0.000 1.016 468 N CA 0.856 53.884 53.050 -0.036 0.000 0.876 468 N CB 0.099 38.607 38.487 0.036 0.000 0.979 468 N HN 0.663 nan 8.380 nan 0.000 0.432 469 G N 0.818 109.556 108.800 -0.105 0.000 2.144 469 G HA2 -0.236 3.722 3.960 -0.003 0.000 0.218 469 G HA3 -0.236 3.722 3.960 -0.003 0.000 0.218 469 G C -0.481 174.380 174.900 -0.066 0.000 0.988 469 G CA -0.261 44.794 45.100 -0.075 0.000 0.659 469 G HN 0.447 nan 8.290 nan 0.000 0.522 470 E N 1.865 122.014 120.200 -0.085 0.000 2.343 470 E HA 0.390 4.738 4.350 -0.003 0.000 0.269 470 E C -2.080 174.467 176.600 -0.088 0.000 1.047 470 E CA -1.766 54.592 56.400 -0.069 0.000 0.874 470 E CB 1.219 30.879 29.700 -0.067 0.000 1.033 470 E HN 0.201 nan 8.360 nan 0.000 0.409 471 P HA -0.065 nan 4.420 nan 0.000 0.265 471 P C 0.023 177.280 177.300 -0.072 0.000 1.193 471 P CA 0.134 63.204 63.100 -0.050 0.000 0.765 471 P CB 0.489 32.177 31.700 -0.020 0.000 0.823 472 L N 0.015 121.190 121.223 -0.080 0.000 2.611 472 L HA 0.436 4.774 4.340 -0.003 0.000 0.229 472 L C 1.108 177.954 176.870 -0.039 0.000 1.137 472 L CA -0.051 54.733 54.840 -0.094 0.000 0.901 472 L CB -1.556 40.431 42.059 -0.120 0.000 1.098 472 L HN 0.556 nan 8.230 nan 0.000 0.456 473 G N -0.622 108.169 108.800 -0.014 0.000 2.274 473 G HA2 0.325 4.283 3.960 -0.003 0.000 0.251 473 G HA3 0.325 4.283 3.960 -0.003 0.000 0.251 473 G C 0.409 175.327 174.900 0.030 0.000 0.836 473 G CA 0.495 45.604 45.100 0.016 0.000 1.246 473 G HN 1.504 nan 8.290 nan 0.000 0.355 474 G N 0.099 108.917 108.800 0.031 0.000 2.334 474 G HA2 0.573 4.532 3.960 -0.003 0.000 0.315 474 G HA3 0.573 4.532 3.960 -0.003 0.000 0.315 474 G C -0.587 174.330 174.900 0.028 0.000 1.284 474 G CA -0.093 45.039 45.100 0.052 0.000 0.985 474 G HN 2.188 nan 8.290 nan 0.000 0.504 475 I N -2.553 118.041 120.570 0.039 0.000 2.828 475 I HA 0.948 5.116 4.170 -0.003 0.000 0.302 475 I C -0.628 175.460 176.117 -0.047 0.000 1.101 475 I CA -1.562 59.731 61.300 -0.012 0.000 1.031 475 I CB 2.417 40.413 38.000 -0.008 0.000 1.231 475 I HN 0.784 nan 8.210 nan 0.000 0.427 476 K N 3.512 123.837 120.400 -0.124 0.000 2.471 476 K HA 0.786 5.105 4.320 -0.003 0.000 0.252 476 K C -1.949 174.478 176.600 -0.288 0.000 0.938 476 K CA -0.703 55.478 56.287 -0.176 0.000 0.796 476 K CB 2.139 34.561 32.500 -0.131 0.000 1.161 476 K HN 0.653 nan 8.250 nan 0.000 0.425 477 V N 4.511 124.121 119.914 -0.507 0.000 2.398 477 V HA 0.378 4.497 4.120 -0.003 0.000 0.286 477 V C -0.629 175.366 176.094 -0.165 0.000 1.026 477 V CA -0.821 61.208 62.300 -0.452 0.000 0.868 477 V CB 1.579 32.947 31.823 -0.758 0.000 0.982 477 V HN 0.511 nan 8.190 nan 0.000 0.443 478 V N 4.409 124.286 119.914 -0.062 0.000 2.409 478 V HA 0.860 4.978 4.120 -0.003 0.000 0.291 478 V C 0.358 176.502 176.094 0.085 0.000 1.020 478 V CA -0.313 62.028 62.300 0.069 0.000 0.848 478 V CB 1.372 33.205 31.823 0.017 0.000 0.990 478 V HN 0.996 nan 8.190 nan 0.000 0.430 479 A N 3.588 126.504 122.820 0.160 0.000 2.312 479 A HA 0.927 5.245 4.320 -0.003 0.000 0.310 479 A C 1.257 178.936 177.584 0.157 0.000 1.139 479 A CA 0.082 52.205 52.037 0.143 0.000 0.886 479 A CB 1.224 20.325 19.000 0.167 0.000 1.350 479 A HN 1.100 nan 8.150 nan 0.000 0.479 480 A N -0.456 122.439 122.820 0.124 0.000 1.969 480 A HA -0.032 4.286 4.320 -0.003 0.000 0.218 480 A C 1.225 178.895 177.584 0.143 0.000 1.169 480 A CA 1.666 53.765 52.037 0.104 0.000 0.635 480 A CB -0.330 18.707 19.000 0.061 0.000 0.810 480 A HN 0.685 nan 8.150 nan 0.000 0.445 481 N N -1.181 117.633 118.700 0.190 0.000 2.197 481 N HA 0.444 5.182 4.740 -0.003 0.000 0.228 481 N C -0.312 175.433 175.510 0.393 0.000 1.212 481 N CA 0.871 54.093 53.050 0.285 0.000 0.883 481 N CB 1.181 39.754 38.487 0.143 0.000 1.107 481 N HN 0.470 nan 8.380 nan 0.000 0.519 482 A N 0.747 123.776 122.820 0.349 0.000 2.601 482 A HA 0.714 5.032 4.320 -0.003 0.000 0.291 482 A C -2.026 175.741 177.584 0.304 0.000 1.075 482 A CA -0.789 51.402 52.037 0.256 0.000 0.671 482 A CB 1.493 20.644 19.000 0.252 0.000 1.277 482 A HN 0.206 nan 8.150 nan 0.000 0.417 483 W N -0.869 120.518 121.300 0.146 0.000 3.057 483 W HA 0.666 5.325 4.660 -0.003 0.000 0.328 483 W C -2.511 174.091 176.519 0.139 0.000 1.232 483 W CA -1.011 56.383 57.345 0.081 0.000 1.187 483 W CB 0.601 30.085 29.460 0.039 0.000 1.417 483 W HN 1.360 nan 8.180 nan 0.000 0.569 484 F N 0.714 120.824 119.950 0.266 0.000 2.628 484 F HA 0.868 5.393 4.527 -0.003 0.000 0.309 484 F C -1.447 174.581 175.800 0.380 0.000 1.108 484 F CA -1.324 56.724 58.000 0.080 0.000 0.971 484 F CB 1.051 39.996 39.000 -0.092 0.000 1.279 484 F HN 0.734 nan 8.300 nan 0.000 0.441 485 A N 2.393 125.591 122.820 0.630 0.000 2.413 485 A HA 0.897 5.215 4.320 -0.003 0.000 0.307 485 A C -1.896 176.011 177.584 0.538 0.000 1.087 485 A CA -0.954 51.354 52.037 0.452 0.000 0.750 485 A CB 1.912 21.152 19.000 0.399 0.000 1.296 485 A HN 1.052 nan 8.150 nan 0.000 0.423 486 V N 2.544 122.681 119.914 0.372 0.000 2.525 486 V HA 0.671 4.789 4.120 -0.003 0.000 0.299 486 V C -0.392 175.840 176.094 0.230 0.000 1.034 486 V CA -0.586 61.895 62.300 0.302 0.000 0.863 486 V CB 1.545 33.517 31.823 0.248 0.000 0.999 486 V HN 1.088 nan 8.190 nan 0.000 0.423 487 R N 3.614 124.261 120.500 0.245 0.000 2.698 487 R HA 0.704 5.042 4.340 -0.003 0.000 0.275 487 R C -3.304 173.082 176.300 0.143 0.000 1.001 487 R CA -2.185 54.025 56.100 0.184 0.000 0.896 487 R CB 2.106 32.526 30.300 0.199 0.000 1.218 487 R HN 0.329 nan 8.270 nan 0.000 0.462 488 P HA -0.004 nan 4.420 nan 0.000 0.271 488 P C -0.337 177.010 177.300 0.079 0.000 1.220 488 P CA -0.068 63.078 63.100 0.077 0.000 0.768 488 P CB 1.169 32.907 31.700 0.063 0.000 0.848 489 S N 2.246 117.984 115.700 0.063 0.000 2.576 489 S HA 0.275 4.744 4.470 -0.003 0.000 0.276 489 S C 1.729 176.357 174.600 0.047 0.000 1.339 489 S CA 0.144 58.378 58.200 0.057 0.000 1.039 489 S CB -0.023 63.200 63.200 0.038 0.000 0.902 489 S HN 0.571 nan 8.310 nan 0.000 0.516 490 G N 1.770 110.595 108.800 0.043 0.000 2.494 490 G HA2 -0.043 3.915 3.960 -0.003 0.000 0.216 490 G HA3 -0.043 3.915 3.960 -0.003 0.000 0.216 490 G C 1.340 176.253 174.900 0.022 0.000 1.140 490 G CA 0.826 45.946 45.100 0.034 0.000 0.801 490 G HN 0.831 nan 8.290 nan 0.000 0.536 491 T N -0.875 113.688 114.554 0.015 0.000 2.939 491 T HA 0.184 4.532 4.350 -0.003 0.000 0.254 491 T C 0.849 175.555 174.700 0.010 0.000 1.041 491 T CA 0.779 62.882 62.100 0.004 0.000 1.142 491 T CB 0.027 68.890 68.868 -0.009 0.000 0.874 491 T HN 0.548 nan 8.240 nan 0.000 0.452 492 E N 0.364 120.572 120.200 0.014 0.000 2.433 492 E HA 0.406 4.755 4.350 -0.003 0.000 0.273 492 E C -1.671 174.941 176.600 0.019 0.000 0.950 492 E CA -1.097 55.312 56.400 0.014 0.000 0.796 492 E CB 0.824 30.530 29.700 0.010 0.000 1.330 492 E HN -0.193 nan 8.360 nan 0.000 0.455 493 D N 1.124 121.535 120.400 0.019 0.000 2.598 493 D HA 0.184 4.822 4.640 -0.003 0.000 0.231 493 D C -0.839 175.474 176.300 0.022 0.000 1.127 493 D CA 0.406 54.419 54.000 0.022 0.000 1.126 493 D CB 0.113 40.925 40.800 0.020 0.000 1.124 493 D HN 0.154 nan 8.370 nan 0.000 0.485 494 V N 0.501 120.429 119.914 0.023 0.000 2.925 494 V HA 0.696 4.814 4.120 -0.003 0.000 0.311 494 V C -0.367 175.741 176.094 0.024 0.000 1.104 494 V CA -1.172 61.139 62.300 0.019 0.000 0.954 494 V CB 2.322 34.150 31.823 0.009 0.000 1.022 494 V HN 0.344 nan 8.190 nan 0.000 0.427 495 A N 3.445 126.275 122.820 0.016 0.000 2.273 495 A HA 0.705 5.023 4.320 -0.003 0.000 0.315 495 A C -0.360 177.216 177.584 -0.013 0.000 1.256 495 A CA -0.627 51.422 52.037 0.021 0.000 0.851 495 A CB 0.500 19.511 19.000 0.019 0.000 1.172 495 A HN 0.776 nan 8.150 nan 0.000 0.508 496 K N 1.536 121.936 120.400 -0.001 0.000 2.258 496 K HA 0.501 4.819 4.320 -0.003 0.000 0.284 496 K C -0.904 175.595 176.600 -0.168 0.000 1.051 496 K CA -0.265 55.946 56.287 -0.127 0.000 0.923 496 K CB 1.624 34.067 32.500 -0.095 0.000 1.046 496 K HN 0.415 nan 8.250 nan 0.000 0.474 497 V N 4.647 124.375 119.914 -0.310 0.000 2.417 497 V HA 0.327 4.445 4.120 -0.003 0.000 0.291 497 V C -1.111 174.775 176.094 -0.346 0.000 1.024 497 V CA -0.857 61.332 62.300 -0.186 0.000 0.861 497 V CB 0.598 32.322 31.823 -0.164 0.000 0.985 497 V HN 0.584 nan 8.190 nan 0.000 0.436 498 Y N 2.689 123.022 120.300 0.054 0.000 2.376 498 Y HA 0.813 5.362 4.550 -0.003 0.000 0.340 498 Y C 0.262 175.962 175.900 -0.332 0.000 0.965 498 Y CA -0.700 57.352 58.100 -0.081 0.000 1.078 498 Y CB 2.195 40.776 38.460 0.201 0.000 1.193 498 Y HN 0.722 nan 8.280 nan 0.000 0.452 499 A N 2.665 125.133 122.820 -0.588 0.000 2.486 499 A HA 0.762 5.080 4.320 -0.003 0.000 0.300 499 A C -1.388 175.579 177.584 -1.028 0.000 1.048 499 A CA -0.686 50.910 52.037 -0.736 0.000 0.696 499 A CB 2.036 20.800 19.000 -0.392 0.000 1.278 499 A HN 0.757 nan 8.150 nan 0.000 0.405 500 E N 0.505 120.008 120.200 -1.161 0.000 2.331 500 E HA 0.627 4.975 4.350 -0.003 0.000 0.275 500 E C -1.368 174.941 176.600 -0.484 0.000 0.895 500 E CA -0.327 55.607 56.400 -0.777 0.000 0.753 500 E CB 1.988 31.276 29.700 -0.687 0.000 1.216 500 E HN 0.790 nan 8.360 nan 0.000 0.434 501 S N 3.103 118.657 115.700 -0.244 0.000 2.546 501 S HA 0.473 4.941 4.470 -0.003 0.000 0.274 501 S C -1.065 173.475 174.600 -0.100 0.000 1.121 501 S CA -0.552 57.613 58.200 -0.057 0.000 0.887 501 S CB 0.662 63.957 63.200 0.158 0.000 1.094 501 S HN 0.479 nan 8.310 nan 0.000 0.474 502 F N 2.904 122.942 119.950 0.147 0.000 2.639 502 F HA 0.447 4.972 4.527 -0.003 0.000 0.300 502 F C 0.803 176.636 175.800 0.054 0.000 1.109 502 F CA -0.126 57.976 58.000 0.170 0.000 1.335 502 F CB 0.693 39.766 39.000 0.121 0.000 1.014 502 F HN 0.404 nan 8.300 nan 0.000 0.537 503 L N -0.347 120.885 121.223 0.015 0.000 2.766 503 L HA 0.507 4.845 4.340 -0.003 0.000 0.242 503 L C 0.981 177.693 176.870 -0.263 0.000 1.136 503 L CA 0.013 54.756 54.840 -0.162 0.000 0.933 503 L CB -0.338 41.425 42.059 -0.493 0.000 1.241 503 L HN 0.179 nan 8.230 nan 0.000 0.522 504 G N -0.843 107.598 108.800 -0.597 0.000 2.525 504 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.685 504 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.685 504 G C 0.527 174.903 174.900 -0.874 0.000 1.290 504 G CA -0.317 44.056 45.100 -1.212 0.000 0.915 504 G HN -0.076 nan 8.290 nan 0.000 0.548 505 E N -0.220 119.592 120.200 -0.646 0.000 2.021 505 E HA -0.172 4.176 4.350 -0.003 0.000 0.200 505 E C 3.086 179.611 176.600 -0.126 0.000 1.015 505 E CA 2.319 58.591 56.400 -0.213 0.000 0.824 505 E CB -0.836 28.826 29.700 -0.063 0.000 0.762 505 E HN 1.140 nan 8.360 nan 0.000 0.454 506 A N 1.235 123.995 122.820 -0.100 0.000 1.948 506 A HA -0.254 4.064 4.320 -0.003 0.000 0.220 506 A C 2.171 179.726 177.584 -0.047 0.000 1.177 506 A CA 2.050 54.053 52.037 -0.058 0.000 0.636 506 A CB -0.899 18.078 19.000 -0.038 0.000 0.815 506 A HN 0.407 nan 8.150 nan 0.000 0.449 507 H N -1.036 117.951 119.070 -0.137 0.000 2.428 507 H HA -0.046 4.508 4.556 -0.003 0.000 0.296 507 H C 1.973 177.233 175.328 -0.113 0.000 1.062 507 H CA 1.576 57.558 56.048 -0.110 0.000 1.350 507 H CB -0.008 29.691 29.762 -0.105 0.000 1.403 507 H HN 0.383 nan 8.280 nan 0.000 0.533 508 L N 1.528 122.709 121.223 -0.069 0.000 2.046 508 L HA -0.117 4.221 4.340 -0.003 0.000 0.208 508 L C 2.276 179.049 176.870 -0.161 0.000 1.077 508 L CA 1.628 56.403 54.840 -0.108 0.000 0.747 508 L CB -0.638 41.387 42.059 -0.057 0.000 0.896 508 L HN 0.066 nan 8.230 nan 0.000 0.432 509 E N 0.052 120.174 120.200 -0.131 0.000 2.160 509 E HA -0.226 4.122 4.350 -0.003 0.000 0.195 509 E C 2.373 178.873 176.600 -0.166 0.000 0.991 509 E CA 1.097 57.420 56.400 -0.128 0.000 0.810 509 E CB -0.129 29.516 29.700 -0.091 0.000 0.742 509 E HN 0.536 nan 8.360 nan 0.000 0.466 510 R N -0.305 120.066 120.500 -0.214 0.000 2.119 510 R HA -0.010 4.328 4.340 -0.003 0.000 0.222 510 R C 2.435 178.573 176.300 -0.271 0.000 1.088 510 R CA 0.754 56.710 56.100 -0.240 0.000 0.984 510 R CB -0.059 30.065 30.300 -0.295 0.000 0.884 510 R HN 0.015 nan 8.270 nan 0.000 0.447 511 V N 1.488 121.215 119.914 -0.312 0.000 2.307 511 V HA -0.221 3.897 4.120 -0.003 0.000 0.245 511 V C 2.332 178.233 176.094 -0.322 0.000 1.045 511 V CA 1.556 63.696 62.300 -0.267 0.000 1.024 511 V CB -0.420 31.274 31.823 -0.215 0.000 0.651 511 V HN 0.264 nan 8.190 nan 0.000 0.449 512 L N -0.310 120.741 121.223 -0.286 0.000 1.955 512 L HA -0.257 4.081 4.340 -0.003 0.000 0.213 512 L C 2.650 179.334 176.870 -0.310 0.000 1.072 512 L CA 2.072 56.732 54.840 -0.301 0.000 0.755 512 L CB -0.666 41.264 42.059 -0.216 0.000 0.888 512 L HN 0.379 nan 8.230 nan 0.000 0.432 513 E N -0.090 119.971 120.200 -0.230 0.000 2.035 513 E HA -0.296 4.052 4.350 -0.003 0.000 0.204 513 E C 2.019 178.486 176.600 -0.220 0.000 1.025 513 E CA 1.991 58.277 56.400 -0.190 0.000 0.835 513 E CB -0.186 29.431 29.700 -0.139 0.000 0.764 513 E HN 0.512 nan 8.360 nan 0.000 0.457 514 E N 0.291 120.355 120.200 -0.226 0.000 2.171 514 E HA -0.242 4.106 4.350 -0.003 0.000 0.197 514 E C 2.068 178.467 176.600 -0.335 0.000 0.997 514 E CA 0.891 57.168 56.400 -0.206 0.000 0.810 514 E CB -0.193 29.419 29.700 -0.147 0.000 0.738 514 E HN 0.276 nan 8.360 nan 0.000 0.467 515 A N 1.631 124.093 122.820 -0.596 0.000 1.855 515 A HA -0.201 4.117 4.320 -0.003 0.000 0.215 515 A C 2.559 179.813 177.584 -0.549 0.000 1.191 515 A CA 2.341 53.778 52.037 -1.000 0.000 0.613 515 A CB -1.197 16.972 19.000 -1.385 0.000 0.829 515 A HN 0.409 nan 8.150 nan 0.000 0.442 516 T N -2.017 112.279 114.554 -0.431 0.000 2.821 516 T HA 0.045 4.393 4.350 -0.003 0.000 0.267 516 T C 1.933 176.386 174.700 -0.410 0.000 1.046 516 T CA 1.869 63.709 62.100 -0.433 0.000 1.139 516 T CB -0.620 68.043 68.868 -0.343 0.000 0.871 516 T HN 0.603 nan 8.240 nan 0.000 0.454 517 A N 1.704 124.391 122.820 -0.221 0.000 1.883 517 A HA 0.121 4.439 4.320 -0.003 0.000 0.217 517 A C 2.491 180.034 177.584 -0.069 0.000 1.186 517 A CA 1.574 53.562 52.037 -0.082 0.000 0.624 517 A CB -1.020 17.945 19.000 -0.058 0.000 0.822 517 A HN 0.555 nan 8.150 nan 0.000 0.444 518 L N -0.949 120.213 121.223 -0.102 0.000 2.083 518 L HA -0.162 4.177 4.340 -0.003 0.000 0.209 518 L C 2.616 179.477 176.870 -0.015 0.000 1.083 518 L CA 1.266 56.092 54.840 -0.023 0.000 0.752 518 L CB -0.384 41.692 42.059 0.028 0.000 0.899 518 L HN 0.511 nan 8.230 nan 0.000 0.433 519 L N -0.940 120.222 121.223 -0.103 0.000 2.017 519 L HA -0.281 4.057 4.340 -0.003 0.000 0.208 519 L C 2.529 179.382 176.870 -0.028 0.000 1.073 519 L CA 1.583 56.371 54.840 -0.086 0.000 0.745 519 L CB -0.280 41.662 42.059 -0.195 0.000 0.894 519 L HN 0.310 nan 8.230 nan 0.000 0.432 520 H N -0.991 118.074 119.070 -0.009 0.000 2.319 520 H HA -0.237 4.318 4.556 -0.003 0.000 0.299 520 H C 2.176 177.506 175.328 0.004 0.000 1.092 520 H CA 1.459 57.503 56.048 -0.006 0.000 1.302 520 H CB 0.094 29.845 29.762 -0.018 0.000 1.373 520 H HN 0.133 nan 8.280 nan 0.000 0.497 521 K N 1.313 121.789 120.400 0.128 0.000 2.032 521 K HA -0.101 4.217 4.320 -0.003 0.000 0.209 521 K C 2.241 178.880 176.600 0.066 0.000 1.048 521 K CA 1.403 57.737 56.287 0.079 0.000 0.927 521 K CB -0.493 32.042 32.500 0.058 0.000 0.712 521 K HN 0.260 nan 8.250 nan 0.000 0.441 522 A N 0.174 123.034 122.820 0.065 0.000 1.969 522 A HA -0.021 4.297 4.320 -0.003 0.000 0.218 522 A C 1.875 179.494 177.584 0.059 0.000 1.169 522 A CA 1.323 53.396 52.037 0.061 0.000 0.635 522 A CB -0.416 18.622 19.000 0.065 0.000 0.810 522 A HN 0.323 nan 8.150 nan 0.000 0.445 523 L N -0.703 120.562 121.223 0.070 0.000 2.628 523 L HA 0.250 4.588 4.340 -0.003 0.000 0.229 523 L C 1.412 178.316 176.870 0.058 0.000 1.137 523 L CA -0.149 54.731 54.840 0.067 0.000 0.909 523 L CB -0.576 41.533 42.059 0.083 0.000 1.137 523 L HN 0.398 nan 8.230 nan 0.000 0.470 524 A N 0.000 122.853 122.820 0.055 0.000 2.254 524 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 524 A CA 0.000 52.059 52.037 0.036 0.000 0.836 524 A CB 0.000 19.020 19.000 0.033 0.000 0.831 524 A HN 0.000 nan 8.150 nan 0.000 0.486