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 1adj_1_C DATA FIRST_RESID 2 DATA SEQUENCE TARAVRGTKD LFGKELRMHQ RIVATARKVL EAAGALELVT PIFEETQVFE DATA SEQUENCE KGVGAATDIV RKEMFTFQDR GGRSLTLRPE GTAAMVRAYL EHGMKVWPQP DATA SEQUENCE VRLWMAGPMF RAERPQKGRY RQFHQVNYEA LGSENPILDA EAVVLLYECL DATA SEQUENCE KELGLRRLKV KLSSVGDPED RARYNAYLRE VLSPHREALS EDSKERLEEN DATA SEQUENCE PMRILDSKSE RDQALLKELG VRPMLDFLGE EARAHLKEVE RHLERLSVPY DATA SEQUENCE ELEPALVRGL DYYVRTAFEV HHEEIGAQSA LGGGGRYDGL SELLGGPRVP DATA SEQUENCE GVGFAFGVER VALALEAEGF GLPEEKGPDL YLIPLTEEAV AEAFYLAEAL DATA SEQUENCE RPRLRAEYAL APRKPAKGLE EALKRGAAFA GFLGEDELRA GEVTLKRLAT DATA SEQUENCE GEQVRLSREE VPGYLLQALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.703 174.700 0.004 0.000 1.109 2 T CA 0.000 62.101 62.100 0.002 0.000 1.349 2 T CB 0.000 68.868 68.868 0.001 0.000 0.612 3 A N 2.932 125.754 122.820 0.002 0.000 2.520 3 A HA 0.568 4.888 4.320 -0.000 0.000 0.235 3 A C 0.448 178.038 177.584 0.009 0.000 1.065 3 A CA 0.484 52.524 52.037 0.004 0.000 0.764 3 A CB 0.157 19.157 19.000 -0.001 0.000 1.002 3 A HN 0.353 nan 8.150 nan 0.000 0.502 4 R N 0.009 120.517 120.500 0.015 0.000 2.950 4 R HA 0.675 5.015 4.340 -0.000 0.000 0.253 4 R C -0.279 176.038 176.300 0.029 0.000 1.168 4 R CA -0.371 55.744 56.100 0.024 0.000 1.014 4 R CB 1.667 31.983 30.300 0.027 0.000 1.228 4 R HN 0.858 nan 8.270 nan 0.000 0.487 5 A N 1.251 124.097 122.820 0.043 0.000 2.409 5 A HA 0.316 4.636 4.320 -0.000 0.000 0.267 5 A C 0.646 178.262 177.584 0.053 0.000 1.127 5 A CA -0.535 51.535 52.037 0.054 0.000 0.795 5 A CB -0.030 19.017 19.000 0.079 0.000 1.061 5 A HN 0.522 nan 8.150 nan 0.000 0.502 6 V N 1.153 121.095 119.914 0.046 0.000 2.752 6 V HA 0.165 4.285 4.120 -0.000 0.000 0.306 6 V C 0.729 176.867 176.094 0.072 0.000 1.099 6 V CA -0.423 61.906 62.300 0.048 0.000 1.240 6 V CB -0.348 31.493 31.823 0.031 0.000 0.887 6 V HN 0.944 nan 8.190 nan 0.000 0.499 7 R N 4.045 124.585 120.500 0.066 0.000 2.537 7 R HA 0.388 4.728 4.340 -0.000 0.000 0.281 7 R C 1.341 177.699 176.300 0.096 0.000 0.988 7 R CA 1.422 57.561 56.100 0.065 0.000 1.077 7 R CB -0.298 30.032 30.300 0.051 0.000 0.932 7 R HN 1.985 nan 8.270 nan 0.000 0.409 8 G N 1.914 110.762 108.800 0.080 0.000 2.194 8 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.236 8 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.236 8 G C 0.010 175.065 174.900 0.257 0.000 0.987 8 G CA 0.354 45.530 45.100 0.127 0.000 0.635 8 G HN 1.029 nan 8.290 nan 0.000 0.520 9 T N -1.788 112.896 114.554 0.218 0.000 2.916 9 T HA 0.802 5.152 4.350 -0.000 0.000 0.292 9 T C -0.691 174.139 174.700 0.217 0.000 1.064 9 T CA 0.212 62.466 62.100 0.258 0.000 1.011 9 T CB 2.806 71.791 68.868 0.195 0.000 1.152 9 T HN 1.265 nan 8.240 nan 0.000 0.510 10 K N 0.165 120.704 120.400 0.232 0.000 2.597 10 K HA 0.463 4.783 4.320 -0.000 0.000 0.282 10 K C -1.936 174.771 176.600 0.178 0.000 0.975 10 K CA -1.013 55.387 56.287 0.189 0.000 0.867 10 K CB 1.222 33.837 32.500 0.191 0.000 1.465 10 K HN 0.432 nan 8.250 nan 0.000 0.417 11 D N 1.905 122.415 120.400 0.183 0.000 2.308 11 D HA 0.228 4.868 4.640 -0.000 0.000 0.251 11 D C -0.381 176.050 176.300 0.218 0.000 1.127 11 D CA -0.034 54.098 54.000 0.220 0.000 0.876 11 D CB 1.026 41.994 40.800 0.280 0.000 1.176 11 D HN 0.334 nan 8.370 nan 0.000 0.446 12 L N 3.889 125.200 121.223 0.147 0.000 2.272 12 L HA 0.470 4.810 4.340 -0.000 0.000 0.289 12 L C -0.345 176.614 176.870 0.148 0.000 1.032 12 L CA -0.681 54.157 54.840 -0.004 0.000 0.810 12 L CB 0.081 42.043 42.059 -0.161 0.000 1.205 12 L HN 0.354 nan 8.230 nan 0.000 0.422 13 F N 0.928 120.834 119.950 -0.073 0.000 2.773 13 F HA 0.849 5.376 4.527 -0.000 0.000 0.314 13 F C 0.299 176.074 175.800 -0.042 0.000 1.160 13 F CA -0.338 57.632 58.000 -0.049 0.000 0.920 13 F CB 0.603 39.587 39.000 -0.027 0.000 1.323 13 F HN 0.654 nan 8.300 nan 0.000 0.457 14 G N 1.503 110.390 108.800 0.145 0.000 2.601 14 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 14 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 14 G C 0.460 175.328 174.900 -0.055 0.000 1.294 14 G CA 0.299 45.414 45.100 0.024 0.000 0.912 14 G HN 1.095 nan 8.290 nan 0.000 0.574 15 K N 0.120 120.483 120.400 -0.062 0.000 2.074 15 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 15 K C 2.454 179.018 176.600 -0.060 0.000 1.048 15 K CA 1.966 58.227 56.287 -0.042 0.000 0.926 15 K CB -0.205 32.278 32.500 -0.028 0.000 0.713 15 K HN 0.612 nan 8.250 nan 0.000 0.444 16 E N 1.059 121.181 120.200 -0.129 0.000 2.058 16 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 16 E C 2.030 178.507 176.600 -0.205 0.000 0.997 16 E CA 0.936 57.249 56.400 -0.145 0.000 0.801 16 E CB -0.009 29.555 29.700 -0.227 0.000 0.746 16 E HN 0.228 nan 8.360 nan 0.000 0.450 17 L N 0.589 121.677 121.223 -0.224 0.000 2.056 17 L HA -0.168 4.172 4.340 -0.000 0.000 0.207 17 L C 2.481 179.315 176.870 -0.061 0.000 1.078 17 L CA 1.525 56.241 54.840 -0.207 0.000 0.749 17 L CB -0.306 41.694 42.059 -0.099 0.000 0.901 17 L HN 0.176 nan 8.230 nan 0.000 0.433 18 R N -0.961 119.527 120.500 -0.020 0.000 2.096 18 R HA -0.229 4.111 4.340 -0.000 0.000 0.235 18 R C 2.096 178.427 176.300 0.052 0.000 1.127 18 R CA 1.704 57.817 56.100 0.022 0.000 0.968 18 R CB -0.307 30.004 30.300 0.019 0.000 0.861 18 R HN 0.264 nan 8.270 nan 0.000 0.440 19 M N -0.138 119.504 119.600 0.069 0.000 2.132 19 M HA -0.138 4.342 4.480 -0.000 0.000 0.263 19 M C 1.682 178.072 176.300 0.149 0.000 1.065 19 M CA 1.769 57.129 55.300 0.099 0.000 1.122 19 M CB -0.296 32.372 32.600 0.113 0.000 1.365 19 M HN 0.205 nan 8.290 nan 0.000 0.411 20 H N -0.971 118.091 119.070 -0.013 0.000 2.352 20 H HA -0.175 4.381 4.556 -0.000 0.000 0.299 20 H C 2.001 177.333 175.328 0.006 0.000 1.097 20 H CA 1.746 57.786 56.048 -0.013 0.000 1.311 20 H CB 0.008 29.727 29.762 -0.072 0.000 1.377 20 H HN 0.564 nan 8.280 nan 0.000 0.504 21 Q N 0.381 120.265 119.800 0.140 0.000 2.119 21 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 21 Q C 2.421 178.465 176.000 0.073 0.000 0.972 21 Q CA 0.733 56.590 55.803 0.089 0.000 0.847 21 Q CB 0.020 28.797 28.738 0.063 0.000 0.903 21 Q HN 0.385 nan 8.270 nan 0.000 0.433 22 R N 0.373 120.908 120.500 0.059 0.000 2.081 22 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 22 R C 2.284 178.602 176.300 0.029 0.000 1.131 22 R CA 1.189 57.309 56.100 0.033 0.000 0.960 22 R CB -0.289 30.020 30.300 0.016 0.000 0.856 22 R HN 0.275 nan 8.270 nan 0.000 0.436 23 I N 0.202 120.798 120.570 0.043 0.000 2.127 23 I HA -0.277 3.893 4.170 -0.000 0.000 0.241 23 I C 2.241 178.435 176.117 0.127 0.000 1.075 23 I CA 1.272 62.613 61.300 0.068 0.000 1.334 23 I CB -0.276 37.772 38.000 0.080 0.000 1.040 23 I HN -0.015 nan 8.210 nan 0.000 0.405 24 V N 0.965 120.952 119.914 0.121 0.000 2.515 24 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 24 V C 2.670 178.829 176.094 0.109 0.000 1.058 24 V CA 1.740 64.129 62.300 0.147 0.000 1.064 24 V CB -0.995 30.925 31.823 0.161 0.000 0.675 24 V HN 0.482 nan 8.190 nan 0.000 0.461 25 A N -0.005 122.862 122.820 0.077 0.000 1.902 25 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 25 A C 2.422 180.000 177.584 -0.009 0.000 1.181 25 A CA 2.543 54.607 52.037 0.045 0.000 0.623 25 A CB -0.944 18.079 19.000 0.039 0.000 0.818 25 A HN 0.487 nan 8.150 nan 0.000 0.443 26 T N 0.270 114.817 114.554 -0.011 0.000 2.737 26 T HA 0.002 4.351 4.350 -0.000 0.000 0.265 26 T C 2.269 176.926 174.700 -0.070 0.000 1.038 26 T CA 1.610 63.683 62.100 -0.045 0.000 1.144 26 T CB -0.524 68.313 68.868 -0.051 0.000 0.866 26 T HN 0.600 nan 8.240 nan 0.000 0.434 27 A N 1.865 124.673 122.820 -0.020 0.000 1.917 27 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 27 A C 2.281 179.632 177.584 -0.389 0.000 1.182 27 A CA 2.123 54.133 52.037 -0.046 0.000 0.633 27 A CB -0.675 18.409 19.000 0.141 0.000 0.819 27 A HN 0.476 nan 8.150 nan 0.000 0.448 28 R N -0.123 120.083 120.500 -0.490 0.000 2.083 28 R HA -0.191 4.149 4.340 -0.000 0.000 0.237 28 R C 2.284 178.326 176.300 -0.430 0.000 1.137 28 R CA 2.044 57.688 56.100 -0.759 0.000 0.951 28 R CB -0.309 29.859 30.300 -0.220 0.000 0.851 28 R HN 0.559 nan 8.270 nan 0.000 0.434 29 K N 0.379 120.646 120.400 -0.221 0.000 2.002 29 K HA -0.131 4.189 4.320 -0.000 0.000 0.209 29 K C 2.097 178.607 176.600 -0.150 0.000 1.048 29 K CA 1.943 58.147 56.287 -0.139 0.000 0.930 29 K CB -0.184 32.266 32.500 -0.084 0.000 0.714 29 K HN 0.241 nan 8.250 nan 0.000 0.438 30 V N -0.416 119.405 119.914 -0.156 0.000 2.343 30 V HA -0.197 3.923 4.120 -0.000 0.000 0.247 30 V C 2.129 178.129 176.094 -0.156 0.000 1.051 30 V CA 1.274 63.497 62.300 -0.129 0.000 1.036 30 V CB -0.634 31.128 31.823 -0.102 0.000 0.654 30 V HN 0.138 nan 8.190 nan 0.000 0.451 31 L N 0.834 121.907 121.223 -0.250 0.000 2.056 31 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 31 L C 2.786 179.544 176.870 -0.185 0.000 1.078 31 L CA 2.070 56.748 54.840 -0.271 0.000 0.749 31 L CB -1.265 40.510 42.059 -0.473 0.000 0.901 31 L HN 0.457 nan 8.230 nan 0.000 0.433 32 E N -0.946 119.109 120.200 -0.242 0.000 2.274 32 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 32 E C 2.142 178.734 176.600 -0.012 0.000 0.996 32 E CA 0.784 57.147 56.400 -0.061 0.000 0.840 32 E CB -0.082 29.606 29.700 -0.021 0.000 0.772 32 E HN 0.478 nan 8.360 nan 0.000 0.491 33 A N 1.318 124.111 122.820 -0.045 0.000 2.014 33 A HA 0.040 4.360 4.320 -0.000 0.000 0.218 33 A C 2.245 179.828 177.584 -0.001 0.000 1.163 33 A CA 1.221 53.245 52.037 -0.022 0.000 0.652 33 A CB -0.158 18.819 19.000 -0.038 0.000 0.808 33 A HN 0.237 nan 8.150 nan 0.000 0.449 34 A N -1.764 121.055 122.820 -0.001 0.000 2.238 34 A HA 0.426 4.746 4.320 -0.000 0.000 0.208 34 A C 1.642 179.281 177.584 0.091 0.000 1.177 34 A CA 1.119 53.175 52.037 0.031 0.000 0.804 34 A CB -0.806 18.196 19.000 0.003 0.000 0.823 34 A HN 1.792 nan 8.150 nan 0.000 0.482 35 G N -2.048 106.808 108.800 0.093 0.000 2.141 35 G HA2 0.121 4.081 3.960 -0.000 0.000 0.231 35 G HA3 0.121 4.081 3.960 -0.000 0.000 0.231 35 G C 0.365 175.380 174.900 0.193 0.000 0.984 35 G CA 0.146 45.321 45.100 0.125 0.000 0.660 35 G HN 1.545 nan 8.290 nan 0.000 0.525 36 A N -0.191 122.773 122.820 0.240 0.000 2.440 36 A HA 0.707 5.027 4.320 -0.000 0.000 0.251 36 A C 0.214 178.048 177.584 0.417 0.000 1.089 36 A CA 0.321 52.581 52.037 0.373 0.000 0.779 36 A CB 0.838 20.124 19.000 0.476 0.000 1.022 36 A HN 1.594 nan 8.150 nan 0.000 0.492 37 L N 1.677 123.128 121.223 0.379 0.000 2.295 37 L HA 0.438 4.778 4.340 -0.000 0.000 0.285 37 L C 0.331 177.313 176.870 0.187 0.000 1.035 37 L CA -0.291 54.716 54.840 0.279 0.000 0.806 37 L CB 1.372 43.548 42.059 0.195 0.000 1.214 37 L HN 0.793 nan 8.230 nan 0.000 0.426 38 E N 4.986 125.200 120.200 0.023 0.000 2.299 38 E HA 0.253 4.603 4.350 -0.000 0.000 0.272 38 E C -1.503 174.919 176.600 -0.296 0.000 1.043 38 E CA -0.358 55.742 56.400 -0.500 0.000 0.895 38 E CB 0.729 30.132 29.700 -0.495 0.000 1.011 38 E HN 0.540 nan 8.360 nan 0.000 0.432 39 L N 6.402 127.425 121.223 -0.333 0.000 2.441 39 L HA 0.380 4.720 4.340 -0.000 0.000 0.270 39 L C -1.643 175.099 176.870 -0.214 0.000 0.973 39 L CA -0.807 53.922 54.840 -0.185 0.000 0.842 39 L CB 1.645 43.654 42.059 -0.083 0.000 1.239 39 L HN 0.332 nan 8.230 nan 0.000 0.406 40 V N 4.160 123.969 119.914 -0.175 0.000 2.347 40 V HA 0.482 4.602 4.120 -0.000 0.000 0.280 40 V C 0.706 176.745 176.094 -0.093 0.000 1.021 40 V CA -0.452 61.757 62.300 -0.152 0.000 0.847 40 V CB 1.664 33.397 31.823 -0.150 0.000 0.990 40 V HN 0.884 nan 8.190 nan 0.000 0.444 41 T N 3.769 118.278 114.554 -0.074 0.000 2.918 41 T HA 0.603 4.953 4.350 -0.000 0.000 0.283 41 T C -2.309 172.358 174.700 -0.053 0.000 1.001 41 T CA -1.806 60.268 62.100 -0.042 0.000 1.041 41 T CB 1.249 70.106 68.868 -0.020 0.000 1.028 41 T HN 0.423 nan 8.240 nan 0.000 0.511 42 P HA 0.149 nan 4.420 nan 0.000 0.270 42 P C 0.974 178.198 177.300 -0.127 0.000 1.227 42 P CA -0.563 62.443 63.100 -0.157 0.000 0.788 42 P CB 0.307 31.881 31.700 -0.210 0.000 0.926 43 I N -0.024 120.405 120.570 -0.234 0.000 2.614 43 I HA -0.065 4.105 4.170 -0.000 0.000 0.258 43 I C 0.896 177.080 176.117 0.112 0.000 1.189 43 I CA 1.415 62.694 61.300 -0.035 0.000 1.462 43 I CB -1.044 36.921 38.000 -0.058 0.000 1.092 43 I HN 0.283 nan 8.210 nan 0.000 0.442 44 F N -0.357 119.693 119.950 0.167 0.000 2.599 44 F HA 0.777 5.304 4.527 -0.000 0.000 0.311 44 F C -0.324 175.554 175.800 0.131 0.000 1.076 44 F CA -1.383 56.730 58.000 0.189 0.000 0.937 44 F CB 1.054 40.150 39.000 0.160 0.000 1.282 44 F HN -0.242 nan 8.300 nan 0.000 0.460 45 E N 0.045 120.494 120.200 0.414 0.000 2.410 45 E HA 0.257 4.607 4.350 -0.000 0.000 0.269 45 E C -1.263 175.340 176.600 0.005 0.000 0.937 45 E CA -1.017 55.440 56.400 0.094 0.000 0.793 45 E CB 2.162 31.695 29.700 -0.278 0.000 1.314 45 E HN 0.753 nan 8.360 nan 0.000 0.447 46 E N 0.642 120.784 120.200 -0.097 0.000 2.415 46 E HA -0.039 4.311 4.350 -0.000 0.000 0.263 46 E C 0.828 177.340 176.600 -0.147 0.000 0.995 46 E CA 0.252 56.584 56.400 -0.113 0.000 0.915 46 E CB 0.629 30.260 29.700 -0.115 0.000 0.951 46 E HN 0.406 nan 8.360 nan 0.000 0.449 47 T N 2.983 117.480 114.554 -0.094 0.000 2.760 47 T HA -0.278 4.072 4.350 -0.000 0.000 0.269 47 T C 1.810 176.486 174.700 -0.040 0.000 1.047 47 T CA 2.251 64.338 62.100 -0.022 0.000 1.139 47 T CB -0.051 68.796 68.868 -0.035 0.000 0.855 47 T HN 0.618 nan 8.240 nan 0.000 0.471 48 Q N 0.045 119.791 119.800 -0.090 0.000 2.124 48 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 48 Q C 2.181 178.096 176.000 -0.142 0.000 0.977 48 Q CA 1.743 57.494 55.803 -0.087 0.000 0.850 48 Q CB -0.724 27.965 28.738 -0.083 0.000 0.901 48 Q HN 0.429 nan 8.270 nan 0.000 0.429 49 V N 0.548 120.291 119.914 -0.285 0.000 2.380 49 V HA -0.251 3.869 4.120 -0.000 0.000 0.251 49 V C 1.870 177.731 176.094 -0.387 0.000 1.063 49 V CA 1.934 63.981 62.300 -0.423 0.000 1.055 49 V CB -0.709 30.705 31.823 -0.681 0.000 0.657 49 V HN 0.333 nan 8.190 nan 0.000 0.455 50 F N -0.058 119.879 119.950 -0.022 0.000 2.387 50 F HA 0.097 4.624 4.527 -0.000 0.000 0.294 50 F C 2.299 178.104 175.800 0.009 0.000 1.093 50 F CA 0.380 58.378 58.000 -0.003 0.000 1.420 50 F CB -0.663 38.345 39.000 0.014 0.000 1.086 50 F HN 0.161 nan 8.300 nan 0.000 0.531 51 E N 0.872 121.154 120.200 0.137 0.000 2.007 51 E HA -0.197 4.153 4.350 -0.000 0.000 0.194 51 E C 2.060 178.698 176.600 0.062 0.000 0.999 51 E CA 1.465 57.916 56.400 0.085 0.000 0.811 51 E CB -0.180 29.545 29.700 0.041 0.000 0.762 51 E HN 0.353 nan 8.360 nan 0.000 0.450 52 K N 0.221 120.634 120.400 0.022 0.000 2.057 52 K HA -0.085 4.235 4.320 -0.000 0.000 0.206 52 K C 2.249 178.867 176.600 0.029 0.000 1.050 52 K CA 1.109 57.403 56.287 0.012 0.000 0.935 52 K CB -0.328 32.158 32.500 -0.023 0.000 0.715 52 K HN 0.145 nan 8.250 nan 0.000 0.439 53 G N 1.184 109.992 108.800 0.014 0.000 2.484 53 G HA2 -0.218 3.741 3.960 -0.000 0.000 0.215 53 G HA3 -0.218 3.741 3.960 -0.000 0.000 0.215 53 G C 1.528 176.541 174.900 0.189 0.000 1.219 53 G CA 0.919 46.026 45.100 0.012 0.000 0.791 53 G HN 0.116 nan 8.290 nan 0.000 0.550 54 V N 1.076 121.143 119.914 0.255 0.000 2.913 54 V HA 0.309 4.429 4.120 -0.000 0.000 0.260 54 V C 1.413 177.616 176.094 0.181 0.000 1.098 54 V CA 0.731 63.226 62.300 0.325 0.000 1.121 54 V CB -1.495 30.476 31.823 0.246 0.000 0.714 54 V HN 1.130 nan 8.190 nan 0.000 0.487 55 G N -0.211 108.671 108.800 0.137 0.000 3.322 55 G HA2 0.137 4.097 3.960 -0.000 0.000 0.686 55 G HA3 0.137 4.097 3.960 -0.000 0.000 0.686 55 G C 0.316 175.254 174.900 0.063 0.000 1.015 55 G CA -0.210 44.942 45.100 0.087 0.000 0.826 55 G HN 0.746 nan 8.290 nan 0.000 0.538 56 A N 1.283 124.132 122.820 0.049 0.000 2.259 56 A HA 0.382 4.702 4.320 -0.000 0.000 0.212 56 A C 2.403 180.003 177.584 0.027 0.000 1.178 56 A CA 2.266 54.325 52.037 0.036 0.000 0.734 56 A CB -0.137 18.879 19.000 0.027 0.000 0.774 56 A HN 2.372 nan 8.150 nan 0.000 0.481 57 A N -1.576 121.261 122.820 0.027 0.000 2.303 57 A HA 0.329 4.649 4.320 -0.000 0.000 0.217 57 A C 1.238 178.831 177.584 0.015 0.000 1.205 57 A CA 0.804 52.852 52.037 0.018 0.000 0.875 57 A CB -0.275 18.735 19.000 0.017 0.000 0.910 57 A HN 0.343 nan 8.150 nan 0.000 0.501 58 T N -0.596 113.971 114.554 0.020 0.000 2.904 58 T HA 0.249 4.599 4.350 -0.000 0.000 0.290 58 T C 0.711 175.416 174.700 0.008 0.000 1.018 58 T CA -0.003 62.105 62.100 0.014 0.000 1.075 58 T CB 0.628 69.506 68.868 0.017 0.000 0.986 58 T HN 0.292 nan 8.240 nan 0.000 0.523 59 D N 2.537 122.937 120.400 0.000 0.000 2.123 59 D HA -0.086 4.554 4.640 -0.000 0.000 0.196 59 D C 1.960 178.253 176.300 -0.011 0.000 0.992 59 D CA 1.333 55.329 54.000 -0.007 0.000 0.833 59 D CB -0.168 40.625 40.800 -0.011 0.000 0.954 59 D HN 0.582 nan 8.370 nan 0.000 0.455 60 I N 0.162 120.728 120.570 -0.007 0.000 2.091 60 I HA -0.291 3.879 4.170 -0.000 0.000 0.239 60 I C 2.306 178.417 176.117 -0.010 0.000 1.061 60 I CA 0.937 62.230 61.300 -0.012 0.000 1.317 60 I CB -0.489 37.512 38.000 0.003 0.000 1.031 60 I HN -0.037 nan 8.210 nan 0.000 0.401 61 V N 0.670 120.594 119.914 0.017 0.000 2.295 61 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 61 V C 2.551 178.654 176.094 0.015 0.000 1.049 61 V CA 1.882 64.201 62.300 0.032 0.000 1.024 61 V CB -0.810 31.047 31.823 0.056 0.000 0.648 61 V HN 0.357 nan 8.190 nan 0.000 0.447 62 R N 0.748 121.253 120.500 0.008 0.000 2.092 62 R HA -0.111 4.229 4.340 -0.000 0.000 0.231 62 R C 1.670 177.965 176.300 -0.009 0.000 1.119 62 R CA 1.619 57.720 56.100 0.002 0.000 0.970 62 R CB -0.072 30.229 30.300 0.002 0.000 0.864 62 R HN 0.689 nan 8.270 nan 0.000 0.440 63 K N -1.525 118.862 120.400 -0.022 0.000 2.637 63 K HA 0.164 4.484 4.320 -0.000 0.000 0.184 63 K C -0.123 176.434 176.600 -0.072 0.000 1.200 63 K CA -0.097 56.168 56.287 -0.036 0.000 1.122 63 K CB 0.712 33.197 32.500 -0.026 0.000 0.926 63 K HN -0.070 nan 8.250 nan 0.000 0.535 64 E N 1.362 121.510 120.200 -0.087 0.000 2.758 64 E HA 0.298 4.648 4.350 -0.000 0.000 0.215 64 E C -0.654 175.817 176.600 -0.214 0.000 0.985 64 E CA -0.183 56.128 56.400 -0.147 0.000 1.102 64 E CB 0.702 30.347 29.700 -0.093 0.000 1.042 64 E HN 0.263 nan 8.360 nan 0.000 0.480 65 M N 0.815 120.311 119.600 -0.172 0.000 2.294 65 M HA 0.361 4.841 4.480 -0.000 0.000 0.335 65 M C -0.759 175.473 176.300 -0.113 0.000 1.079 65 M CA -0.815 54.403 55.300 -0.136 0.000 0.982 65 M CB 1.310 33.888 32.600 -0.037 0.000 1.651 65 M HN -0.074 nan 8.290 nan 0.000 0.437 66 F N 1.588 121.590 119.950 0.085 0.000 2.509 66 F HA 0.223 4.750 4.527 -0.000 0.000 0.350 66 F C 0.958 176.830 175.800 0.120 0.000 1.220 66 F CA -0.054 58.013 58.000 0.112 0.000 1.151 66 F CB 0.135 39.205 39.000 0.116 0.000 1.379 66 F HN 0.366 nan 8.300 nan 0.000 0.610 67 T N 5.055 119.750 114.554 0.234 0.000 2.855 67 T HA 0.762 5.112 4.350 -0.000 0.000 0.281 67 T C -0.739 174.032 174.700 0.118 0.000 1.007 67 T CA -0.391 61.742 62.100 0.055 0.000 1.009 67 T CB 0.563 69.432 68.868 0.001 0.000 0.983 67 T HN 0.301 nan 8.240 nan 0.000 0.455 68 F N 1.021 120.971 119.950 0.001 0.000 2.685 68 F HA 0.670 5.197 4.527 -0.000 0.000 0.315 68 F C -0.786 174.977 175.800 -0.063 0.000 1.126 68 F CA -1.375 56.605 58.000 -0.033 0.000 0.950 68 F CB 1.535 40.497 39.000 -0.063 0.000 1.360 68 F HN 0.546 nan 8.300 nan 0.000 0.469 69 Q N 1.357 121.243 119.800 0.143 0.000 2.245 69 Q HA 0.294 4.634 4.340 -0.000 0.000 0.256 69 Q C -1.386 174.671 176.000 0.095 0.000 0.942 69 Q CA -0.826 54.996 55.803 0.032 0.000 0.896 69 Q CB 1.736 30.485 28.738 0.019 0.000 1.272 69 Q HN 0.784 nan 8.270 nan 0.000 0.442 70 D N 0.962 121.366 120.400 0.006 0.000 2.339 70 D HA 0.039 4.679 4.640 -0.000 0.000 0.245 70 D C 0.768 177.076 176.300 0.014 0.000 1.115 70 D CA -0.160 53.849 54.000 0.015 0.000 0.917 70 D CB 0.950 41.728 40.800 -0.037 0.000 1.192 70 D HN 0.442 nan 8.370 nan 0.000 0.428 71 R N 2.281 122.789 120.500 0.014 0.000 2.249 71 R HA -0.013 4.327 4.340 -0.000 0.000 0.230 71 R C 1.431 177.732 176.300 0.003 0.000 1.121 71 R CA 1.001 57.106 56.100 0.007 0.000 0.997 71 R CB -0.609 29.695 30.300 0.006 0.000 0.867 71 R HN 0.519 nan 8.270 nan 0.000 0.465 72 G N -1.128 107.672 108.800 -0.000 0.000 3.502 72 G HA2 0.350 4.309 3.960 -0.000 0.000 0.267 72 G HA3 0.350 4.309 3.960 -0.000 0.000 0.267 72 G C 0.873 175.767 174.900 -0.010 0.000 1.090 72 G CA 0.321 45.419 45.100 -0.004 0.000 0.795 72 G HN 0.395 nan 8.290 nan 0.000 0.535 73 G N 0.249 109.042 108.800 -0.012 0.000 2.383 73 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.229 73 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.229 73 G C 0.773 175.654 174.900 -0.031 0.000 1.089 73 G CA -0.249 44.840 45.100 -0.018 0.000 0.640 73 G HN 0.471 nan 8.290 nan 0.000 0.510 74 R N 1.327 121.804 120.500 -0.039 0.000 2.640 74 R HA 0.360 4.700 4.340 -0.000 0.000 0.270 74 R C 0.287 176.531 176.300 -0.094 0.000 1.024 74 R CA 0.582 56.646 56.100 -0.059 0.000 1.085 74 R CB 0.850 31.116 30.300 -0.056 0.000 0.963 74 R HN 0.344 nan 8.270 nan 0.000 0.426 75 S N 2.777 118.411 115.700 -0.111 0.000 2.457 75 S HA 0.399 4.869 4.470 -0.000 0.000 0.289 75 S C -0.688 173.764 174.600 -0.247 0.000 1.163 75 S CA -0.726 57.376 58.200 -0.162 0.000 1.078 75 S CB 0.315 63.450 63.200 -0.108 0.000 0.987 75 S HN 0.228 nan 8.310 nan 0.000 0.482 76 L N 4.138 125.074 121.223 -0.479 0.000 2.342 76 L HA 0.651 4.991 4.340 -0.000 0.000 0.271 76 L C 0.215 176.662 176.870 -0.704 0.000 1.008 76 L CA -0.167 54.306 54.840 -0.612 0.000 0.818 76 L CB 1.862 43.364 42.059 -0.928 0.000 1.296 76 L HN 0.620 nan 8.230 nan 0.000 0.427 77 T N 2.510 116.922 114.554 -0.237 0.000 2.921 77 T HA 0.475 4.825 4.350 -0.000 0.000 0.297 77 T C -0.636 174.226 174.700 0.271 0.000 1.013 77 T CA -0.552 61.552 62.100 0.008 0.000 0.990 77 T CB 1.542 70.539 68.868 0.215 0.000 1.023 77 T HN 0.117 nan 8.240 nan 0.000 0.447 78 L N 3.819 125.206 121.223 0.274 0.000 2.500 78 L HA 0.216 4.556 4.340 -0.000 0.000 0.272 78 L C 1.257 178.283 176.870 0.260 0.000 1.149 78 L CA 0.116 55.151 54.840 0.324 0.000 0.897 78 L CB -0.037 42.146 42.059 0.207 0.000 1.178 78 L HN 0.521 nan 8.230 nan 0.000 0.473 79 R N 7.998 128.666 120.500 0.280 0.000 2.549 79 R HA -0.054 4.286 4.340 -0.000 0.000 0.336 79 R C -1.896 174.296 176.300 -0.181 0.000 0.891 79 R CA -0.363 55.679 56.100 -0.097 0.000 1.102 79 R CB 0.399 30.803 30.300 0.174 0.000 0.899 79 R HN 0.438 nan 8.270 nan 0.000 0.407 80 P HA 0.074 nan 4.420 nan 0.000 0.252 80 P C -0.311 176.894 177.300 -0.159 0.000 1.218 80 P CA 0.582 63.541 63.100 -0.235 0.000 0.807 80 P CB 0.533 32.082 31.700 -0.251 0.000 1.072 81 E N -0.909 119.164 120.200 -0.213 0.000 2.401 81 E HA 0.307 4.657 4.350 -0.000 0.000 0.280 81 E C -0.359 176.226 176.600 -0.026 0.000 1.039 81 E CA -0.457 55.909 56.400 -0.057 0.000 0.814 81 E CB 0.764 30.489 29.700 0.043 0.000 1.275 81 E HN -0.118 nan 8.360 nan 0.000 0.448 82 G N 0.692 109.479 108.800 -0.022 0.000 2.595 82 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.213 82 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.213 82 G C 1.030 175.883 174.900 -0.077 0.000 1.141 82 G CA 1.140 46.221 45.100 -0.033 0.000 0.806 82 G HN 0.551 nan 8.290 nan 0.000 0.530 83 T N 2.243 116.703 114.554 -0.156 0.000 2.597 83 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 83 T C 2.805 177.252 174.700 -0.422 0.000 1.053 83 T CA 1.874 63.742 62.100 -0.386 0.000 1.165 83 T CB -0.543 67.916 68.868 -0.682 0.000 0.863 83 T HN 0.346 nan 8.240 nan 0.000 0.427 84 A N 1.635 124.235 122.820 -0.367 0.000 1.892 84 A HA 0.051 4.371 4.320 -0.000 0.000 0.218 84 A C 2.703 180.171 177.584 -0.193 0.000 1.188 84 A CA 2.187 54.045 52.037 -0.299 0.000 0.631 84 A CB -1.273 17.641 19.000 -0.143 0.000 0.822 84 A HN 0.566 nan 8.150 nan 0.000 0.447 85 A N -0.895 121.880 122.820 -0.074 0.000 1.902 85 A HA -0.137 4.183 4.320 -0.000 0.000 0.217 85 A C 2.211 179.749 177.584 -0.076 0.000 1.181 85 A CA 1.993 53.993 52.037 -0.062 0.000 0.623 85 A CB -0.501 18.530 19.000 0.051 0.000 0.818 85 A HN 0.457 nan 8.150 nan 0.000 0.443 86 M N -0.364 119.182 119.600 -0.090 0.000 2.080 86 M HA -0.121 4.359 4.480 -0.000 0.000 0.260 86 M C 2.217 178.485 176.300 -0.054 0.000 1.068 86 M CA 1.387 56.644 55.300 -0.071 0.000 1.109 86 M CB -1.309 31.231 32.600 -0.100 0.000 1.342 86 M HN 0.259 nan 8.290 nan 0.000 0.405 87 V N -0.004 119.837 119.914 -0.121 0.000 2.407 87 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 87 V C 2.652 178.716 176.094 -0.050 0.000 1.055 87 V CA 1.460 63.698 62.300 -0.103 0.000 1.049 87 V CB -0.878 30.836 31.823 -0.182 0.000 0.662 87 V HN 0.436 nan 8.190 nan 0.000 0.455 88 R N 0.713 121.156 120.500 -0.096 0.000 2.081 88 R HA -0.147 4.193 4.340 -0.000 0.000 0.235 88 R C 2.274 178.527 176.300 -0.078 0.000 1.131 88 R CA 1.951 57.989 56.100 -0.104 0.000 0.960 88 R CB -0.631 29.581 30.300 -0.147 0.000 0.856 88 R HN 0.480 nan 8.270 nan 0.000 0.436 89 A N -0.026 122.774 122.820 -0.033 0.000 1.877 89 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 89 A C 2.131 179.737 177.584 0.038 0.000 1.186 89 A CA 1.367 53.423 52.037 0.032 0.000 0.620 89 A CB -0.977 18.084 19.000 0.103 0.000 0.822 89 A HN 0.536 nan 8.150 nan 0.000 0.443 90 Y N 0.083 120.316 120.300 -0.113 0.000 2.081 90 Y HA -0.243 4.307 4.550 -0.000 0.000 0.280 90 Y C 2.000 177.778 175.900 -0.204 0.000 1.163 90 Y CA 1.995 59.980 58.100 -0.192 0.000 1.135 90 Y CB -0.353 38.004 38.460 -0.170 0.000 0.970 90 Y HN 0.215 nan 8.280 nan 0.000 0.498 91 L N 0.789 122.060 121.223 0.080 0.000 1.976 91 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 91 L C 2.579 179.357 176.870 -0.153 0.000 1.071 91 L CA 2.349 57.180 54.840 -0.015 0.000 0.746 91 L CB -1.449 40.601 42.059 -0.015 0.000 0.890 91 L HN 0.412 nan 8.230 nan 0.000 0.432 92 E N -1.232 118.842 120.200 -0.210 0.000 2.097 92 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 92 E C 1.561 177.917 176.600 -0.407 0.000 1.000 92 E CA 1.311 57.512 56.400 -0.330 0.000 0.804 92 E CB -0.032 29.399 29.700 -0.448 0.000 0.740 92 E HN 0.585 nan 8.360 nan 0.000 0.454 93 H N -0.998 117.967 119.070 -0.176 0.000 2.533 93 H HA 0.153 4.709 4.556 -0.000 0.000 0.271 93 H C 0.926 176.092 175.328 -0.270 0.000 1.000 93 H CA 0.712 56.653 56.048 -0.179 0.000 1.149 93 H CB 0.423 30.090 29.762 -0.160 0.000 1.375 93 H HN 0.377 nan 8.280 nan 0.000 0.582 94 G N 1.830 110.476 108.800 -0.257 0.000 2.323 94 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.292 94 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.292 94 G C 1.130 175.687 174.900 -0.570 0.000 1.040 94 G CA 0.568 45.491 45.100 -0.294 0.000 0.942 94 G HN 0.404 nan 8.290 nan 0.000 0.506 95 M N -0.405 118.555 119.600 -1.066 0.000 2.539 95 M HA -0.052 4.428 4.480 -0.000 0.000 0.261 95 M C 2.587 178.211 176.300 -1.127 0.000 1.069 95 M CA 1.879 56.119 55.300 -1.768 0.000 1.081 95 M CB -0.295 31.026 32.600 -2.132 0.000 1.412 95 M HN 0.631 nan 8.290 nan 0.000 0.482 96 K N 0.956 120.920 120.400 -0.727 0.000 2.360 96 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 96 K C 1.393 177.946 176.600 -0.079 0.000 1.046 96 K CA 1.551 57.712 56.287 -0.210 0.000 0.945 96 K CB -0.495 31.973 32.500 -0.054 0.000 0.750 96 K HN 0.429 nan 8.250 nan 0.000 0.464 97 V N -2.899 116.961 119.914 -0.090 0.000 3.354 97 V HA 0.131 4.251 4.120 -0.000 0.000 0.258 97 V C 0.539 176.763 176.094 0.217 0.000 1.159 97 V CA -0.673 61.669 62.300 0.069 0.000 1.125 97 V CB -0.806 31.071 31.823 0.090 0.000 0.774 97 V HN 0.186 nan 8.190 nan 0.000 0.464 98 W N 2.001 123.268 121.300 -0.053 0.000 2.126 98 W HA 0.476 5.136 4.660 -0.000 0.000 0.346 98 W C -2.125 174.397 176.519 0.005 0.000 1.279 98 W CA -2.771 54.557 57.345 -0.029 0.000 1.259 98 W CB -0.859 28.575 29.460 -0.043 0.000 1.133 98 W HN 0.070 nan 8.180 nan 0.000 0.592 99 P HA -0.034 nan 4.420 nan 0.000 0.267 99 P C -0.349 177.060 177.300 0.181 0.000 1.209 99 P CA 0.258 63.453 63.100 0.158 0.000 0.763 99 P CB 0.789 32.551 31.700 0.104 0.000 0.816 100 Q N 3.680 123.568 119.800 0.147 0.000 2.260 100 Q HA 0.408 4.748 4.340 -0.000 0.000 0.242 100 Q C -1.613 174.456 176.000 0.115 0.000 0.932 100 Q CA -1.560 54.330 55.803 0.144 0.000 0.891 100 Q CB -0.017 28.794 28.738 0.121 0.000 1.222 100 Q HN 0.480 nan 8.270 nan 0.000 0.453 101 P HA 0.273 nan 4.420 nan 0.000 0.284 101 P C -0.777 176.625 177.300 0.171 0.000 1.258 101 P CA -0.525 62.650 63.100 0.125 0.000 0.824 101 P CB 0.957 32.711 31.700 0.089 0.000 1.038 102 V N 3.685 123.726 119.914 0.211 0.000 2.385 102 V HA 0.240 4.360 4.120 -0.000 0.000 0.269 102 V C 0.909 177.112 176.094 0.182 0.000 1.043 102 V CA -0.373 62.086 62.300 0.265 0.000 0.906 102 V CB 0.012 32.043 31.823 0.347 0.000 0.995 102 V HN 0.473 nan 8.190 nan 0.000 0.467 103 R N 5.618 126.232 120.500 0.190 0.000 2.294 103 R HA 0.728 5.068 4.340 -0.000 0.000 0.319 103 R C -1.048 175.359 176.300 0.178 0.000 0.984 103 R CA -0.419 55.763 56.100 0.136 0.000 0.861 103 R CB 1.200 31.660 30.300 0.267 0.000 1.104 103 R HN 0.588 nan 8.270 nan 0.000 0.451 104 L N 3.463 124.730 121.223 0.073 0.000 2.370 104 L HA 0.668 5.008 4.340 -0.000 0.000 0.266 104 L C -0.689 176.293 176.870 0.186 0.000 1.002 104 L CA -0.938 53.980 54.840 0.130 0.000 0.818 104 L CB 1.746 43.837 42.059 0.053 0.000 1.325 104 L HN 0.664 nan 8.230 nan 0.000 0.418 105 W N 3.502 124.825 121.300 0.038 0.000 3.118 105 W HA 0.781 5.441 4.660 -0.000 0.000 0.328 105 W C -1.711 174.810 176.519 0.003 0.000 1.239 105 W CA -1.071 56.294 57.345 0.033 0.000 1.176 105 W CB 1.791 31.325 29.460 0.123 0.000 1.433 105 W HN 0.647 nan 8.180 nan 0.000 0.562 106 M N 2.391 121.884 119.600 -0.178 0.000 2.833 106 M HA 0.827 5.307 4.480 -0.000 0.000 0.270 106 M C -2.136 174.081 176.300 -0.139 0.000 1.209 106 M CA -0.588 54.404 55.300 -0.513 0.000 0.826 106 M CB 2.064 34.461 32.600 -0.339 0.000 1.657 106 M HN 0.748 nan 8.290 nan 0.000 0.492 107 A N 0.906 123.624 122.820 -0.170 0.000 2.381 107 A HA 0.984 5.304 4.320 -0.000 0.000 0.299 107 A C -0.526 177.024 177.584 -0.058 0.000 1.049 107 A CA 0.072 52.095 52.037 -0.024 0.000 0.715 107 A CB 1.369 20.444 19.000 0.125 0.000 1.222 107 A HN 1.634 nan 8.150 nan 0.000 0.428 108 G N 1.516 110.280 108.800 -0.060 0.000 2.495 108 G HA2 0.747 4.707 3.960 -0.000 0.000 0.294 108 G HA3 0.747 4.707 3.960 -0.000 0.000 0.294 108 G C -3.497 171.312 174.900 -0.151 0.000 1.397 108 G CA -0.847 44.227 45.100 -0.043 0.000 0.790 108 G HN 0.523 nan 8.290 nan 0.000 0.486 109 P HA 0.424 nan 4.420 nan 0.000 0.275 109 P C -0.855 175.767 177.300 -1.131 0.000 1.227 109 P CA -0.110 62.488 63.100 -0.835 0.000 0.781 109 P CB 1.327 32.673 31.700 -0.590 0.000 0.906 110 M N 2.489 121.136 119.600 -1.588 0.000 2.530 110 M HA 0.479 4.959 4.480 -0.000 0.000 0.307 110 M C -0.707 174.619 176.300 -1.623 0.000 1.161 110 M CA -0.570 53.838 55.300 -1.487 0.000 0.903 110 M CB 1.509 33.259 32.600 -1.418 0.000 1.711 110 M HN 0.216 nan 8.290 nan 0.000 0.451 111 F N 0.910 120.721 119.950 -0.232 0.000 2.529 111 F HA 0.696 5.223 4.527 -0.000 0.000 0.320 111 F C -0.094 175.815 175.800 0.182 0.000 1.118 111 F CA -0.793 57.268 58.000 0.102 0.000 0.915 111 F CB 1.687 40.849 39.000 0.269 0.000 1.161 111 F HN 0.424 nan 8.300 nan 0.000 0.445 112 R N 1.492 122.230 120.500 0.396 0.000 2.502 112 R HA 0.670 5.010 4.340 -0.000 0.000 0.298 112 R C -0.913 175.286 176.300 -0.167 0.000 1.018 112 R CA -0.683 55.475 56.100 0.097 0.000 0.899 112 R CB 1.890 32.300 30.300 0.184 0.000 1.181 112 R HN 0.789 nan 8.270 nan 0.000 0.444 113 A N 3.779 126.162 122.820 -0.728 0.000 2.655 113 A HA 0.155 4.475 4.320 -0.000 0.000 0.297 113 A C -0.368 177.060 177.584 -0.261 0.000 1.461 113 A CA 0.189 51.711 52.037 -0.859 0.000 1.146 113 A CB -0.173 18.193 19.000 -1.056 0.000 1.108 113 A HN 0.703 nan 8.150 nan 0.000 0.550 114 E N 1.126 121.281 120.200 -0.075 0.000 2.202 114 E HA 0.287 4.637 4.350 -0.000 0.000 0.272 114 E C -0.049 176.560 176.600 0.015 0.000 0.951 114 E CA -1.018 55.371 56.400 -0.018 0.000 0.813 114 E CB 1.604 31.311 29.700 0.013 0.000 1.151 114 E HN 0.679 nan 8.360 nan 0.000 0.398 115 R N 3.617 124.120 120.500 0.005 0.000 2.488 115 R HA 0.014 4.354 4.340 -0.000 0.000 0.317 115 R C -1.921 174.395 176.300 0.027 0.000 0.941 115 R CA -0.841 55.269 56.100 0.016 0.000 1.076 115 R CB 0.161 30.465 30.300 0.007 0.000 0.917 115 R HN 0.229 nan 8.270 nan 0.000 0.407 116 P HA -0.070 nan 4.420 nan 0.000 0.262 116 P C -1.286 176.029 177.300 0.024 0.000 1.199 116 P CA 0.410 63.534 63.100 0.041 0.000 0.763 116 P CB 0.524 32.255 31.700 0.051 0.000 0.790 117 Q N 1.994 121.803 119.800 0.016 0.000 2.835 117 Q HA 0.086 4.426 4.340 -0.000 0.000 0.148 117 Q C -0.035 175.962 176.000 -0.005 0.000 0.521 117 Q CA -0.668 55.139 55.803 0.006 0.000 1.059 117 Q CB -0.807 27.934 28.738 0.005 0.000 1.458 117 Q HN 0.281 nan 8.270 nan 0.000 0.331 118 K N -0.239 120.155 120.400 -0.010 0.000 10.858 118 K HA -0.281 4.039 4.320 -0.000 0.000 0.524 118 K C 0.964 177.539 176.600 -0.042 0.000 0.393 118 K CA 1.803 58.068 56.287 -0.038 0.000 1.936 118 K CB -2.008 30.465 32.500 -0.044 0.000 0.765 118 K HN 1.165 nan 8.250 nan 0.000 1.211 119 G N 2.190 110.971 108.800 -0.032 0.000 2.244 119 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.274 119 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.274 119 G C 0.385 175.262 174.900 -0.039 0.000 1.002 119 G CA 1.975 47.061 45.100 -0.024 0.000 0.740 119 G HN 0.453 nan 8.290 nan 0.000 0.516 120 R N -3.061 117.379 120.500 -0.101 0.000 3.273 120 R HA -0.223 4.117 4.340 -0.000 0.000 0.128 120 R C 0.140 176.226 176.300 -0.357 0.000 0.805 120 R CA 1.890 57.872 56.100 -0.196 0.000 1.339 120 R CB -1.485 28.797 30.300 -0.030 0.000 0.739 120 R HN 0.875 nan 8.270 nan 0.000 0.645 121 Y N 0.258 120.590 120.300 0.054 0.000 2.457 121 Y HA 0.504 5.054 4.550 -0.000 0.000 0.343 121 Y C 1.185 177.210 175.900 0.208 0.000 0.994 121 Y CA -0.654 57.529 58.100 0.139 0.000 1.031 121 Y CB 1.967 40.538 38.460 0.184 0.000 1.246 121 Y HN 0.196 nan 8.280 nan 0.000 0.449 122 R N 0.371 121.132 120.500 0.435 0.000 2.237 122 R HA 0.124 4.464 4.340 -0.000 0.000 0.195 122 R C -0.157 176.468 176.300 0.541 0.000 0.956 122 R CA 0.348 56.731 56.100 0.472 0.000 1.029 122 R CB 0.672 31.257 30.300 0.476 0.000 0.972 122 R HN 0.592 nan 8.270 nan 0.000 0.493 123 Q N 0.772 120.840 119.800 0.447 0.000 2.303 123 Q HA 0.270 4.610 4.340 -0.000 0.000 0.267 123 Q C -1.501 174.530 176.000 0.052 0.000 1.011 123 Q CA -0.713 55.194 55.803 0.174 0.000 0.740 123 Q CB 1.002 29.881 28.738 0.234 0.000 1.250 123 Q HN 0.013 nan 8.270 nan 0.000 0.458 124 F N -0.106 119.638 119.950 -0.344 0.000 2.679 124 F HA 0.718 5.245 4.527 -0.000 0.000 0.341 124 F C -1.256 174.147 175.800 -0.663 0.000 1.095 124 F CA -1.152 56.593 58.000 -0.425 0.000 1.004 124 F CB 1.018 39.837 39.000 -0.301 0.000 1.388 124 F HN 0.414 nan 8.300 nan 0.000 0.505 125 H N -0.384 118.581 119.070 -0.176 0.000 2.679 125 H HA 0.543 5.099 4.556 -0.000 0.000 0.360 125 H C -1.201 174.049 175.328 -0.131 0.000 1.105 125 H CA -0.780 55.128 56.048 -0.233 0.000 1.196 125 H CB 1.912 31.602 29.762 -0.120 0.000 1.636 125 H HN 0.695 nan 8.280 nan 0.000 0.531 126 Q N 1.016 120.754 119.800 -0.103 0.000 2.421 126 Q HA 0.669 5.009 4.340 -0.000 0.000 0.280 126 Q C -1.691 174.170 176.000 -0.232 0.000 1.085 126 Q CA -1.204 54.522 55.803 -0.130 0.000 0.807 126 Q CB 2.224 30.951 28.738 -0.018 0.000 1.405 126 Q HN 0.354 nan 8.270 nan 0.000 0.419 127 V N 2.289 121.900 119.914 -0.506 0.000 2.465 127 V HA 0.348 4.468 4.120 -0.000 0.000 0.279 127 V C -0.627 175.301 176.094 -0.277 0.000 1.045 127 V CA -0.449 61.599 62.300 -0.420 0.000 0.938 127 V CB 1.090 32.414 31.823 -0.831 0.000 0.986 127 V HN 0.870 nan 8.190 nan 0.000 0.467 128 N N 3.052 121.697 118.700 -0.092 0.000 2.354 128 N HA 0.481 5.221 4.740 -0.000 0.000 0.287 128 N C -1.532 173.939 175.510 -0.065 0.000 1.016 128 N CA -0.562 52.421 53.050 -0.111 0.000 0.871 128 N CB 1.423 39.860 38.487 -0.084 0.000 1.299 128 N HN 0.628 nan 8.380 nan 0.000 0.482 129 Y N 2.097 122.119 120.300 -0.463 0.000 2.429 129 Y HA 0.660 5.210 4.550 -0.000 0.000 0.342 129 Y C -1.134 174.673 175.900 -0.155 0.000 1.004 129 Y CA -0.660 57.221 58.100 -0.365 0.000 1.075 129 Y CB 1.655 39.625 38.460 -0.816 0.000 1.214 129 Y HN 0.485 nan 8.280 nan 0.000 0.455 130 E N 3.040 122.720 120.200 -0.866 0.000 2.304 130 E HA 0.723 5.073 4.350 -0.000 0.000 0.277 130 E C -1.766 174.447 176.600 -0.646 0.000 0.898 130 E CA -0.573 55.501 56.400 -0.544 0.000 0.764 130 E CB 1.941 31.523 29.700 -0.196 0.000 1.216 130 E HN 0.726 nan 8.360 nan 0.000 0.419 131 A N 4.385 126.982 122.820 -0.371 0.000 2.310 131 A HA 0.710 5.030 4.320 -0.000 0.000 0.304 131 A C -1.208 176.312 177.584 -0.107 0.000 1.231 131 A CA -0.502 51.435 52.037 -0.167 0.000 0.799 131 A CB 0.135 19.133 19.000 -0.004 0.000 1.162 131 A HN 0.501 nan 8.150 nan 0.000 0.486 132 L N 1.457 122.624 121.223 -0.093 0.000 2.333 132 L HA 0.790 5.130 4.340 -0.000 0.000 0.269 132 L C 1.178 177.975 176.870 -0.122 0.000 1.010 132 L CA 0.013 54.730 54.840 -0.206 0.000 0.818 132 L CB 2.006 43.792 42.059 -0.454 0.000 1.306 132 L HN 1.149 nan 8.230 nan 0.000 0.430 133 G N 0.855 109.548 108.800 -0.178 0.000 2.144 133 G HA2 -0.202 3.757 3.960 -0.000 0.000 0.218 133 G HA3 -0.202 3.757 3.960 -0.000 0.000 0.218 133 G C -0.064 174.830 174.900 -0.011 0.000 0.988 133 G CA 0.143 45.215 45.100 -0.046 0.000 0.659 133 G HN 0.710 nan 8.290 nan 0.000 0.522 134 S N -1.208 114.472 115.700 -0.033 0.000 2.535 134 S HA 0.562 5.032 4.470 -0.000 0.000 0.272 134 S C 0.325 174.928 174.600 0.004 0.000 1.149 134 S CA 0.549 58.751 58.200 0.003 0.000 0.888 134 S CB 1.821 65.040 63.200 0.031 0.000 1.110 134 S HN 0.412 nan 8.310 nan 0.000 0.463 135 E N 2.861 123.081 120.200 0.033 0.000 2.442 135 E HA 0.155 4.505 4.350 -0.000 0.000 0.195 135 E C 0.472 177.186 176.600 0.190 0.000 1.030 135 E CA 0.234 56.678 56.400 0.073 0.000 0.869 135 E CB 0.059 29.790 29.700 0.053 0.000 0.857 135 E HN 0.580 nan 8.360 nan 0.000 0.505 136 N N 1.882 120.654 118.700 0.120 0.000 2.365 136 N HA -0.069 4.671 4.740 -0.000 0.000 0.265 136 N C -1.713 173.850 175.510 0.088 0.000 1.288 136 N CA -0.537 52.569 53.050 0.095 0.000 0.869 136 N CB 1.079 39.599 38.487 0.053 0.000 1.071 136 N HN 0.105 nan 8.380 nan 0.000 0.480 137 P HA -0.089 nan 4.420 nan 0.000 0.231 137 P C 1.531 178.850 177.300 0.032 0.000 1.158 137 P CA 0.716 63.688 63.100 -0.214 0.000 0.763 137 P CB 0.333 31.653 31.700 -0.633 0.000 0.805 138 I N -0.479 120.108 120.570 0.027 0.000 2.315 138 I HA -0.204 3.966 4.170 -0.000 0.000 0.248 138 I C 2.470 178.570 176.117 -0.028 0.000 1.117 138 I CA 1.114 62.352 61.300 -0.104 0.000 1.404 138 I CB -0.433 37.461 38.000 -0.177 0.000 1.071 138 I HN -0.106 nan 8.210 nan 0.000 0.419 139 L N 0.192 121.440 121.223 0.041 0.000 2.093 139 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 139 L C 1.944 178.893 176.870 0.132 0.000 1.085 139 L CA 1.390 56.290 54.840 0.101 0.000 0.755 139 L CB -0.771 41.355 42.059 0.112 0.000 0.904 139 L HN 0.232 nan 8.230 nan 0.000 0.435 140 D N 0.490 120.961 120.400 0.119 0.000 2.097 140 D HA -0.152 4.488 4.640 -0.000 0.000 0.195 140 D C 2.281 178.562 176.300 -0.031 0.000 0.989 140 D CA 1.395 55.464 54.000 0.115 0.000 0.827 140 D CB -0.127 40.767 40.800 0.158 0.000 0.966 140 D HN 0.295 nan 8.370 nan 0.000 0.456 141 A N 0.678 123.481 122.820 -0.029 0.000 1.877 141 A HA -0.243 4.077 4.320 -0.000 0.000 0.216 141 A C 2.108 179.628 177.584 -0.107 0.000 1.186 141 A CA 1.785 53.768 52.037 -0.091 0.000 0.620 141 A CB -0.705 18.300 19.000 0.008 0.000 0.822 141 A HN 0.261 nan 8.150 nan 0.000 0.443 142 E N -0.140 120.036 120.200 -0.040 0.000 2.058 142 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 142 E C 2.164 178.772 176.600 0.014 0.000 0.997 142 E CA 1.175 57.568 56.400 -0.011 0.000 0.801 142 E CB -0.288 29.441 29.700 0.048 0.000 0.746 142 E HN 0.531 nan 8.360 nan 0.000 0.450 143 A N 0.453 123.353 122.820 0.133 0.000 1.908 143 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 143 A C 2.409 179.984 177.584 -0.015 0.000 1.181 143 A CA 1.722 53.959 52.037 0.334 0.000 0.627 143 A CB -0.734 18.621 19.000 0.592 0.000 0.818 143 A HN 0.242 nan 8.150 nan 0.000 0.445 144 V N -0.343 119.316 119.914 -0.426 0.000 2.358 144 V HA -0.211 3.909 4.120 -0.000 0.000 0.246 144 V C 2.544 178.449 176.094 -0.315 0.000 1.047 144 V CA 1.922 63.808 62.300 -0.689 0.000 1.035 144 V CB -0.797 30.546 31.823 -0.799 0.000 0.658 144 V HN 0.384 nan 8.190 nan 0.000 0.452 145 V N -0.228 119.565 119.914 -0.202 0.000 2.427 145 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 145 V C 2.299 178.353 176.094 -0.068 0.000 1.051 145 V CA 1.656 63.906 62.300 -0.083 0.000 1.048 145 V CB -0.605 31.180 31.823 -0.063 0.000 0.666 145 V HN 0.423 nan 8.190 nan 0.000 0.456 146 L N -0.616 120.530 121.223 -0.127 0.000 2.017 146 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 146 L C 2.499 179.216 176.870 -0.254 0.000 1.073 146 L CA 1.377 56.135 54.840 -0.137 0.000 0.745 146 L CB -0.644 41.339 42.059 -0.127 0.000 0.894 146 L HN 0.350 nan 8.230 nan 0.000 0.432 147 L N -0.884 119.936 121.223 -0.671 0.000 2.017 147 L HA -0.279 4.061 4.340 -0.000 0.000 0.208 147 L C 2.496 179.172 176.870 -0.324 0.000 1.073 147 L CA 1.853 56.153 54.840 -0.900 0.000 0.745 147 L CB -0.898 40.525 42.059 -1.059 0.000 0.894 147 L HN 0.174 nan 8.230 nan 0.000 0.432 148 Y N 0.557 120.674 120.300 -0.304 0.000 2.128 148 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 148 Y C 2.483 178.280 175.900 -0.172 0.000 1.154 148 Y CA 2.160 60.145 58.100 -0.191 0.000 1.149 148 Y CB -0.175 38.200 38.460 -0.142 0.000 0.976 148 Y HN 0.306 nan 8.280 nan 0.000 0.505 149 E N -0.785 119.316 120.200 -0.164 0.000 2.150 149 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 149 E C 2.468 178.932 176.600 -0.227 0.000 0.985 149 E CA 1.191 57.462 56.400 -0.215 0.000 0.814 149 E CB -0.866 28.773 29.700 -0.101 0.000 0.752 149 E HN 0.524 nan 8.360 nan 0.000 0.466 150 C N 0.515 119.697 119.300 -0.196 0.000 2.413 150 C HA -0.112 4.347 4.460 -0.000 0.000 0.276 150 C C 2.777 177.589 174.990 -0.296 0.000 1.248 150 C CA 0.570 59.484 59.018 -0.173 0.000 1.742 150 C CB -1.098 26.611 27.740 -0.051 0.000 2.017 150 C HN 0.353 nan 8.230 nan 0.000 0.481 151 L N 0.079 121.070 121.223 -0.386 0.000 2.131 151 L HA -0.045 4.295 4.340 -0.000 0.000 0.206 151 L C 2.547 179.200 176.870 -0.360 0.000 1.087 151 L CA 1.073 55.671 54.840 -0.403 0.000 0.767 151 L CB -0.641 41.188 42.059 -0.383 0.000 0.917 151 L HN 0.137 nan 8.230 nan 0.000 0.441 152 K N 0.486 120.637 120.400 -0.415 0.000 2.057 152 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 152 K C 2.080 178.521 176.600 -0.266 0.000 1.049 152 K CA 1.283 57.335 56.287 -0.392 0.000 0.931 152 K CB -0.052 32.130 32.500 -0.530 0.000 0.714 152 K HN 0.132 nan 8.250 nan 0.000 0.440 153 E N 0.176 120.234 120.200 -0.236 0.000 2.204 153 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 153 E C 1.842 178.321 176.600 -0.201 0.000 0.989 153 E CA 0.767 57.061 56.400 -0.178 0.000 0.824 153 E CB -0.037 29.576 29.700 -0.145 0.000 0.756 153 E HN 0.357 nan 8.360 nan 0.000 0.477 154 L N -0.612 120.452 121.223 -0.265 0.000 2.376 154 L HA -0.038 4.302 4.340 -0.000 0.000 0.219 154 L C 1.660 178.202 176.870 -0.546 0.000 1.133 154 L CA 0.860 55.493 54.840 -0.344 0.000 0.816 154 L CB -0.133 41.713 42.059 -0.355 0.000 0.933 154 L HN 0.291 nan 8.230 nan 0.000 0.449 155 G N -0.620 107.923 108.800 -0.429 0.000 2.211 155 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.201 155 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.201 155 G C 0.247 175.025 174.900 -0.204 0.000 0.997 155 G CA -0.525 44.340 45.100 -0.391 0.000 0.652 155 G HN 0.117 nan 8.290 nan 0.000 0.500 156 L N 0.693 121.751 121.223 -0.275 0.000 2.490 156 L HA 0.373 4.713 4.340 -0.000 0.000 0.274 156 L C 1.801 178.666 176.870 -0.008 0.000 1.201 156 L CA -0.079 54.719 54.840 -0.070 0.000 0.869 156 L CB 0.535 42.517 42.059 -0.128 0.000 1.123 156 L HN 0.129 nan 8.230 nan 0.000 0.484 157 R N 1.743 122.298 120.500 0.092 0.000 2.350 157 R HA 0.132 4.472 4.340 -0.000 0.000 0.199 157 R C 0.530 176.873 176.300 0.071 0.000 0.876 157 R CA 0.058 56.196 56.100 0.064 0.000 1.062 157 R CB 0.299 30.648 30.300 0.083 0.000 1.263 157 R HN 0.455 nan 8.270 nan 0.000 0.641 158 R N 1.833 122.392 120.500 0.098 0.000 4.496 158 R HA 0.234 4.574 4.340 -0.000 0.000 0.211 158 R C -0.581 175.727 176.300 0.012 0.000 1.738 158 R CA 0.074 56.184 56.100 0.017 0.000 1.528 158 R CB 0.019 30.268 30.300 -0.085 0.000 1.414 158 R HN -0.162 nan 8.270 nan 0.000 0.812 159 L N 0.737 122.015 121.223 0.091 0.000 2.344 159 L HA 0.500 4.839 4.340 -0.000 0.000 0.272 159 L C 0.211 177.160 176.870 0.132 0.000 1.035 159 L CA -0.702 54.220 54.840 0.137 0.000 0.807 159 L CB 1.195 43.356 42.059 0.170 0.000 1.237 159 L HN 0.148 nan 8.230 nan 0.000 0.442 160 K N 2.026 122.514 120.400 0.146 0.000 2.575 160 K HA 0.401 4.721 4.320 -0.000 0.000 0.236 160 K C -1.003 175.697 176.600 0.167 0.000 0.976 160 K CA -0.482 55.877 56.287 0.119 0.000 0.985 160 K CB 1.908 34.449 32.500 0.069 0.000 1.198 160 K HN 0.252 nan 8.250 nan 0.000 0.464 161 V N 3.192 123.191 119.914 0.142 0.000 2.583 161 V HA 0.242 4.362 4.120 -0.000 0.000 0.287 161 V C 0.311 176.502 176.094 0.163 0.000 1.051 161 V CA -0.235 62.154 62.300 0.148 0.000 1.010 161 V CB 0.626 32.474 31.823 0.043 0.000 0.988 161 V HN 0.460 nan 8.190 nan 0.000 0.478 162 K N 4.466 124.984 120.400 0.197 0.000 2.426 162 K HA 0.678 4.998 4.320 -0.000 0.000 0.254 162 K C -1.313 175.401 176.600 0.190 0.000 0.936 162 K CA -0.767 55.626 56.287 0.178 0.000 0.801 162 K CB 2.393 34.980 32.500 0.144 0.000 1.139 162 K HN 0.424 nan 8.250 nan 0.000 0.424 163 L N 0.840 122.164 121.223 0.169 0.000 2.341 163 L HA 0.708 5.048 4.340 -0.000 0.000 0.267 163 L C -0.632 176.298 176.870 0.100 0.000 1.009 163 L CA 0.066 54.973 54.840 0.112 0.000 0.819 163 L CB 2.119 44.136 42.059 -0.070 0.000 1.323 163 L HN 0.736 nan 8.230 nan 0.000 0.425 164 S N 1.153 116.903 115.700 0.083 0.000 2.680 164 S HA 0.766 5.236 4.470 -0.000 0.000 0.276 164 S C -1.800 172.832 174.600 0.054 0.000 1.189 164 S CA -0.018 58.216 58.200 0.056 0.000 0.909 164 S CB 0.756 63.977 63.200 0.036 0.000 1.227 164 S HN 1.005 nan 8.310 nan 0.000 0.501 165 S N -0.357 115.360 115.700 0.029 0.000 2.550 165 S HA 0.582 5.052 4.470 -0.000 0.000 0.270 165 S C -0.280 174.320 174.600 0.001 0.000 1.145 165 S CA 0.109 58.329 58.200 0.032 0.000 0.852 165 S CB 1.403 64.627 63.200 0.041 0.000 1.119 165 S HN 1.574 nan 8.310 nan 0.000 0.465 166 V N 1.049 120.970 119.914 0.011 0.000 3.380 166 V HA 0.717 4.836 4.120 -0.000 0.000 0.307 166 V C 1.084 177.185 176.094 0.012 0.000 1.434 166 V CA 0.668 62.967 62.300 -0.002 0.000 1.075 166 V CB -0.746 31.090 31.823 0.021 0.000 0.954 166 V HN 1.676 nan 8.190 nan 0.000 0.444 167 G N 1.087 109.897 108.800 0.016 0.000 2.598 167 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.244 167 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.244 167 G C -0.729 174.185 174.900 0.023 0.000 1.302 167 G CA 0.307 45.420 45.100 0.021 0.000 0.903 167 G HN 0.549 nan 8.290 nan 0.000 0.575 168 D N 1.283 121.700 120.400 0.027 0.000 2.384 168 D HA 0.486 5.126 4.640 -0.000 0.000 0.250 168 D C -1.003 175.322 176.300 0.041 0.000 1.029 168 D CA -0.712 53.302 54.000 0.024 0.000 0.990 168 D CB 1.676 42.486 40.800 0.016 0.000 1.175 168 D HN 0.170 nan 8.370 nan 0.000 0.532 169 P HA -0.193 nan 4.420 nan 0.000 0.217 169 P C 0.687 178.019 177.300 0.053 0.000 1.151 169 P CA 1.523 64.651 63.100 0.047 0.000 0.849 169 P CB 0.561 32.283 31.700 0.038 0.000 0.787 170 E N 0.183 120.413 120.200 0.050 0.000 2.028 170 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 170 E C 1.930 178.579 176.600 0.081 0.000 0.988 170 E CA 1.356 57.791 56.400 0.058 0.000 0.799 170 E CB -0.856 28.874 29.700 0.050 0.000 0.755 170 E HN 0.295 nan 8.360 nan 0.000 0.447 171 D N 0.138 120.588 120.400 0.083 0.000 2.144 171 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 171 D C 1.924 178.301 176.300 0.129 0.000 0.984 171 D CA 0.839 54.908 54.000 0.115 0.000 0.834 171 D CB -0.227 40.627 40.800 0.089 0.000 0.955 171 D HN 0.070 nan 8.370 nan 0.000 0.465 172 R N 0.783 121.342 120.500 0.099 0.000 2.073 172 R HA -0.111 4.229 4.340 -0.000 0.000 0.234 172 R C 2.179 178.547 176.300 0.113 0.000 1.134 172 R CA 1.469 57.633 56.100 0.107 0.000 0.952 172 R CB -0.133 30.216 30.300 0.083 0.000 0.850 172 R HN 0.113 nan 8.270 nan 0.000 0.433 173 A N 1.190 124.064 122.820 0.090 0.000 1.858 173 A HA -0.181 4.139 4.320 -0.000 0.000 0.216 173 A C 2.177 179.813 177.584 0.087 0.000 1.190 173 A CA 1.569 53.650 52.037 0.074 0.000 0.617 173 A CB -0.505 18.533 19.000 0.063 0.000 0.827 173 A HN 0.370 nan 8.150 nan 0.000 0.443 174 R N -2.265 118.310 120.500 0.124 0.000 2.105 174 R HA -0.167 4.173 4.340 -0.000 0.000 0.239 174 R C 2.158 178.553 176.300 0.158 0.000 1.135 174 R CA 1.678 57.879 56.100 0.168 0.000 0.967 174 R CB -0.536 29.901 30.300 0.229 0.000 0.861 174 R HN 0.671 nan 8.270 nan 0.000 0.442 175 Y N 2.136 122.388 120.300 -0.080 0.000 2.242 175 Y HA -0.154 4.395 4.550 -0.000 0.000 0.291 175 Y C 1.881 177.698 175.900 -0.138 0.000 1.137 175 Y CA 1.144 59.019 58.100 -0.375 0.000 1.181 175 Y CB -0.280 37.942 38.460 -0.397 0.000 0.989 175 Y HN 0.012 nan 8.280 nan 0.000 0.527 176 N N 0.352 118.999 118.700 -0.087 0.000 2.084 176 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 176 N C 2.044 177.479 175.510 -0.124 0.000 1.030 176 N CA 1.538 54.506 53.050 -0.136 0.000 0.849 176 N CB -0.751 37.714 38.487 -0.037 0.000 1.012 176 N HN 0.472 nan 8.380 nan 0.000 0.423 177 A N 0.661 123.460 122.820 -0.035 0.000 1.883 177 A HA -0.226 4.094 4.320 -0.000 0.000 0.217 177 A C 2.190 179.765 177.584 -0.014 0.000 1.186 177 A CA 1.543 53.578 52.037 -0.004 0.000 0.624 177 A CB -1.210 17.823 19.000 0.054 0.000 0.822 177 A HN 0.482 nan 8.150 nan 0.000 0.444 178 Y N 0.598 120.823 120.300 -0.124 0.000 2.128 178 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 178 Y C 1.913 177.695 175.900 -0.196 0.000 1.154 178 Y CA 2.020 60.050 58.100 -0.116 0.000 1.149 178 Y CB -0.494 37.872 38.460 -0.157 0.000 0.976 178 Y HN 0.212 nan 8.280 nan 0.000 0.505 179 L N 0.006 120.914 121.223 -0.525 0.000 2.042 179 L HA -0.246 4.094 4.340 -0.000 0.000 0.210 179 L C 2.716 179.372 176.870 -0.356 0.000 1.076 179 L CA 1.735 56.234 54.840 -0.568 0.000 0.749 179 L CB -0.535 41.234 42.059 -0.484 0.000 0.893 179 L HN 0.183 nan 8.230 nan 0.000 0.432 180 R N -0.035 120.324 120.500 -0.235 0.000 2.073 180 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 180 R C 2.213 178.431 176.300 -0.137 0.000 1.134 180 R CA 1.536 57.548 56.100 -0.147 0.000 0.952 180 R CB -0.325 29.919 30.300 -0.094 0.000 0.850 180 R HN 0.426 nan 8.270 nan 0.000 0.433 181 E N 0.072 120.188 120.200 -0.140 0.000 2.118 181 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 181 E C 1.951 178.481 176.600 -0.118 0.000 0.992 181 E CA 1.475 57.816 56.400 -0.099 0.000 0.804 181 E CB 0.056 29.726 29.700 -0.050 0.000 0.741 181 E HN 0.134 nan 8.360 nan 0.000 0.458 182 V N 0.745 120.518 119.914 -0.236 0.000 2.535 182 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 182 V C 2.081 178.145 176.094 -0.051 0.000 1.045 182 V CA 1.129 63.316 62.300 -0.189 0.000 1.058 182 V CB -0.219 31.348 31.823 -0.427 0.000 0.689 182 V HN 0.209 nan 8.190 nan 0.000 0.461 183 L N 0.560 121.718 121.223 -0.108 0.000 2.168 183 L HA -0.042 4.298 4.340 -0.000 0.000 0.203 183 L C 2.797 179.673 176.870 0.010 0.000 1.078 183 L CA 1.252 56.073 54.840 -0.032 0.000 0.780 183 L CB -0.713 41.289 42.059 -0.095 0.000 0.939 183 L HN 0.489 nan 8.230 nan 0.000 0.451 184 S N 0.713 116.389 115.700 -0.039 0.000 2.372 184 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 184 S C -0.262 174.301 174.600 -0.063 0.000 1.044 184 S CA 1.437 59.610 58.200 -0.045 0.000 1.050 184 S CB -2.150 61.018 63.200 -0.053 0.000 0.901 184 S HN 0.315 nan 8.310 nan 0.000 0.447 185 P HA -0.029 nan 4.420 nan 0.000 0.230 185 P C 0.008 177.088 177.300 -0.366 0.000 1.158 185 P CA 1.206 64.165 63.100 -0.236 0.000 0.769 185 P CB -0.380 31.141 31.700 -0.298 0.000 0.807 186 H N -1.625 117.419 119.070 -0.044 0.000 2.528 186 H HA 0.292 4.848 4.556 -0.000 0.000 0.282 186 H C 2.025 177.330 175.328 -0.038 0.000 1.097 186 H CA -0.342 55.683 56.048 -0.038 0.000 1.121 186 H CB -0.032 29.705 29.762 -0.041 0.000 1.590 186 H HN -0.080 nan 8.280 nan 0.000 0.553 187 R N 1.436 121.950 120.500 0.024 0.000 2.133 187 R HA -0.199 4.141 4.340 -0.000 0.000 0.247 187 R C 0.995 177.300 176.300 0.007 0.000 1.151 187 R CA 1.818 57.920 56.100 0.004 0.000 0.971 187 R CB 0.065 30.353 30.300 -0.019 0.000 0.866 187 R HN 0.494 nan 8.270 nan 0.000 0.447 188 E N -0.838 119.365 120.200 0.005 0.000 2.401 188 E HA -0.129 4.221 4.350 -0.000 0.000 0.199 188 E C 1.067 177.675 176.600 0.014 0.000 1.023 188 E CA 0.715 57.118 56.400 0.005 0.000 0.859 188 E CB 0.134 29.833 29.700 -0.002 0.000 0.780 188 E HN 0.441 nan 8.360 nan 0.000 0.523 189 A N 0.610 123.447 122.820 0.028 0.000 2.387 189 A HA 0.207 4.527 4.320 -0.000 0.000 0.234 189 A C 0.584 178.173 177.584 0.010 0.000 1.253 189 A CA -0.213 51.838 52.037 0.023 0.000 0.894 189 A CB 0.156 19.178 19.000 0.037 0.000 0.963 189 A HN 0.027 nan 8.150 nan 0.000 0.508 190 L N 0.237 121.464 121.223 0.006 0.000 2.399 190 L HA 0.352 4.692 4.340 -0.000 0.000 0.265 190 L C 0.347 177.214 176.870 -0.004 0.000 1.089 190 L CA -0.634 54.204 54.840 -0.003 0.000 0.802 190 L CB 1.522 43.577 42.059 -0.007 0.000 1.180 190 L HN 0.047 nan 8.230 nan 0.000 0.454 191 S N 0.453 116.150 115.700 -0.007 0.000 2.576 191 S HA 0.015 4.485 4.470 -0.000 0.000 0.276 191 S C 0.828 175.424 174.600 -0.007 0.000 1.339 191 S CA -0.533 57.663 58.200 -0.006 0.000 1.039 191 S CB 1.345 64.541 63.200 -0.006 0.000 0.902 191 S HN 0.565 nan 8.310 nan 0.000 0.516 192 E N 1.983 122.179 120.200 -0.005 0.000 2.136 192 E HA -0.233 4.116 4.350 -0.000 0.000 0.202 192 E C 1.556 178.152 176.600 -0.007 0.000 1.019 192 E CA 1.827 58.224 56.400 -0.006 0.000 0.819 192 E CB -0.217 29.480 29.700 -0.005 0.000 0.739 192 E HN 0.761 nan 8.360 nan 0.000 0.458 193 D N -0.765 119.631 120.400 -0.007 0.000 2.092 193 D HA -0.136 4.504 4.640 -0.000 0.000 0.193 193 D C 1.759 178.053 176.300 -0.010 0.000 0.994 193 D CA 1.938 55.934 54.000 -0.007 0.000 0.828 193 D CB -0.236 40.560 40.800 -0.006 0.000 0.963 193 D HN 0.079 nan 8.370 nan 0.000 0.450 194 S N -0.258 115.435 115.700 -0.011 0.000 2.382 194 S HA -0.143 4.327 4.470 -0.000 0.000 0.228 194 S C 1.826 176.415 174.600 -0.018 0.000 1.027 194 S CA 0.985 59.176 58.200 -0.015 0.000 0.991 194 S CB -0.274 62.916 63.200 -0.016 0.000 0.823 194 S HN 0.351 nan 8.310 nan 0.000 0.469 195 K N 1.028 121.419 120.400 -0.015 0.000 2.211 195 K HA -0.109 4.210 4.320 -0.000 0.000 0.204 195 K C 2.077 178.667 176.600 -0.016 0.000 1.047 195 K CA 1.198 57.476 56.287 -0.016 0.000 0.935 195 K CB -0.095 32.398 32.500 -0.012 0.000 0.728 195 K HN 0.500 nan 8.250 nan 0.000 0.452 196 E N 0.403 120.595 120.200 -0.014 0.000 2.051 196 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 196 E C 1.997 178.588 176.600 -0.014 0.000 0.979 196 E CA 0.562 56.955 56.400 -0.012 0.000 0.803 196 E CB 0.045 29.740 29.700 -0.009 0.000 0.761 196 E HN 0.200 nan 8.360 nan 0.000 0.451 197 R N 0.573 121.064 120.500 -0.015 0.000 2.200 197 R HA -0.124 4.216 4.340 -0.000 0.000 0.234 197 R C 2.234 178.519 176.300 -0.026 0.000 1.127 197 R CA 0.515 56.605 56.100 -0.017 0.000 0.989 197 R CB -0.238 30.052 30.300 -0.016 0.000 0.869 197 R HN 0.088 nan 8.270 nan 0.000 0.459 198 L N 1.174 122.379 121.223 -0.031 0.000 2.275 198 L HA -0.129 4.211 4.340 -0.000 0.000 0.215 198 L C 1.879 178.727 176.870 -0.038 0.000 1.119 198 L CA 1.696 56.510 54.840 -0.043 0.000 0.790 198 L CB -0.150 41.884 42.059 -0.042 0.000 0.919 198 L HN 0.067 nan 8.230 nan 0.000 0.443 199 E N -0.003 120.181 120.200 -0.026 0.000 2.033 199 E HA 0.016 4.366 4.350 -0.000 0.000 0.189 199 E C 0.309 176.899 176.600 -0.017 0.000 0.979 199 E CA 0.767 57.155 56.400 -0.021 0.000 0.802 199 E CB 0.096 29.787 29.700 -0.015 0.000 0.763 199 E HN 0.537 nan 8.360 nan 0.000 0.449 200 E N 1.225 121.417 120.200 -0.013 0.000 2.185 200 E HA 0.191 4.541 4.350 -0.000 0.000 0.261 200 E C -1.012 175.585 176.600 -0.006 0.000 0.879 200 E CA -0.479 55.917 56.400 -0.007 0.000 0.756 200 E CB 1.117 30.817 29.700 -0.000 0.000 1.152 200 E HN 0.020 nan 8.360 nan 0.000 0.416 201 N N 3.267 121.964 118.700 -0.005 0.000 2.725 201 N HA -0.116 4.624 4.740 -0.000 0.000 0.256 201 N C -2.350 173.151 175.510 -0.015 0.000 1.087 201 N CA -0.024 53.025 53.050 -0.000 0.000 0.690 201 N CB -0.487 38.008 38.487 0.012 0.000 0.891 201 N HN 0.344 nan 8.380 nan 0.000 0.553 202 P HA -0.167 nan 4.420 nan 0.000 0.218 202 P C 1.706 178.969 177.300 -0.061 0.000 1.146 202 P CA 1.198 64.258 63.100 -0.067 0.000 0.813 202 P CB 0.054 31.686 31.700 -0.114 0.000 0.778 203 M N -1.433 118.147 119.600 -0.033 0.000 2.192 203 M HA -0.252 4.228 4.480 -0.000 0.000 0.259 203 M C 2.067 178.383 176.300 0.027 0.000 1.071 203 M CA 1.853 57.169 55.300 0.026 0.000 1.082 203 M CB -0.563 32.098 32.600 0.103 0.000 1.373 203 M HN -0.060 nan 8.290 nan 0.000 0.408 204 R N 0.128 120.634 120.500 0.010 0.000 2.127 204 R HA -0.134 4.205 4.340 -0.000 0.000 0.238 204 R C 2.148 178.448 176.300 0.000 0.000 1.134 204 R CA 1.338 57.442 56.100 0.006 0.000 0.975 204 R CB -0.709 29.591 30.300 0.001 0.000 0.865 204 R HN 0.445 nan 8.270 nan 0.000 0.447 205 I N 1.226 121.789 120.570 -0.012 0.000 2.530 205 I HA -0.281 3.889 4.170 -0.000 0.000 0.257 205 I C 1.721 177.835 176.117 -0.006 0.000 1.179 205 I CA 1.139 62.429 61.300 -0.017 0.000 1.440 205 I CB 0.108 38.086 38.000 -0.036 0.000 1.087 205 I HN 0.191 nan 8.210 nan 0.000 0.440 206 L N -0.015 121.214 121.223 0.010 0.000 2.023 206 L HA -0.172 4.168 4.340 -0.000 0.000 0.205 206 L C 1.327 178.210 176.870 0.023 0.000 1.073 206 L CA 1.214 56.072 54.840 0.030 0.000 0.745 206 L CB -0.558 41.544 42.059 0.072 0.000 0.900 206 L HN 0.098 nan 8.230 nan 0.000 0.435 207 D N 0.067 120.479 120.400 0.019 0.000 2.344 207 D HA 0.023 4.663 4.640 -0.000 0.000 0.242 207 D C 0.641 176.944 176.300 0.005 0.000 1.159 207 D CA 0.029 54.036 54.000 0.012 0.000 0.859 207 D CB 0.003 40.808 40.800 0.008 0.000 0.925 207 D HN 0.222 nan 8.370 nan 0.000 0.510 208 S N -1.089 114.612 115.700 0.003 0.000 2.693 208 S HA 0.446 4.916 4.470 -0.000 0.000 0.276 208 S C 0.642 175.242 174.600 -0.000 0.000 1.192 208 S CA -0.821 57.379 58.200 -0.001 0.000 0.994 208 S CB 2.231 65.428 63.200 -0.004 0.000 1.012 208 S HN -0.220 nan 8.310 nan 0.000 0.550 209 K N 0.329 120.728 120.400 -0.002 0.000 2.760 209 K HA 0.560 4.880 4.320 -0.000 0.000 0.285 209 K C 0.383 176.982 176.600 -0.002 0.000 1.016 209 K CA -0.354 55.933 56.287 -0.001 0.000 1.087 209 K CB 0.114 32.613 32.500 -0.001 0.000 1.427 209 K HN 0.919 nan 8.250 nan 0.000 0.524 210 S N -0.270 115.429 115.700 -0.002 0.000 3.349 210 S HA -0.148 4.322 4.470 -0.000 0.000 0.854 210 S C 0.752 175.351 174.600 -0.003 0.000 1.140 210 S CA 0.732 58.931 58.200 -0.002 0.000 1.044 210 S CB -0.213 62.985 63.200 -0.003 0.000 0.716 210 S HN 0.643 nan 8.310 nan 0.000 0.271 211 E N 2.222 122.420 120.200 -0.003 0.000 2.216 211 E HA 0.076 4.426 4.350 -0.000 0.000 0.192 211 E C 2.042 178.638 176.600 -0.005 0.000 0.988 211 E CA 1.559 57.957 56.400 -0.003 0.000 0.834 211 E CB -0.033 29.666 29.700 -0.003 0.000 0.772 211 E HN 0.584 nan 8.360 nan 0.000 0.479 212 R N 0.632 121.129 120.500 -0.005 0.000 2.113 212 R HA -0.180 4.160 4.340 -0.000 0.000 0.244 212 R C 1.576 177.871 176.300 -0.009 0.000 1.142 212 R CA 1.751 57.848 56.100 -0.006 0.000 0.953 212 R CB -0.390 29.907 30.300 -0.004 0.000 0.860 212 R HN 0.251 nan 8.270 nan 0.000 0.438 213 D N 0.114 120.508 120.400 -0.009 0.000 2.110 213 D HA -0.097 4.543 4.640 -0.000 0.000 0.202 213 D C 2.191 178.483 176.300 -0.014 0.000 0.975 213 D CA 0.798 54.790 54.000 -0.013 0.000 0.839 213 D CB -0.288 40.505 40.800 -0.011 0.000 0.996 213 D HN 0.125 nan 8.370 nan 0.000 0.464 214 Q N 1.071 120.866 119.800 -0.009 0.000 2.045 214 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 214 Q C 2.274 178.269 176.000 -0.010 0.000 0.991 214 Q CA 1.504 57.304 55.803 -0.006 0.000 0.851 214 Q CB -0.764 27.972 28.738 -0.003 0.000 0.911 214 Q HN 0.272 nan 8.270 nan 0.000 0.418 215 A N 0.801 123.614 122.820 -0.012 0.000 1.902 215 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 215 A C 2.167 179.735 177.584 -0.026 0.000 1.181 215 A CA 1.489 53.517 52.037 -0.015 0.000 0.623 215 A CB -0.691 18.302 19.000 -0.013 0.000 0.818 215 A HN 0.330 nan 8.150 nan 0.000 0.443 216 L N -0.079 121.124 121.223 -0.033 0.000 1.994 216 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 216 L C 2.308 179.136 176.870 -0.069 0.000 1.071 216 L CA 1.809 56.614 54.840 -0.059 0.000 0.745 216 L CB -0.629 41.397 42.059 -0.055 0.000 0.892 216 L HN 0.407 nan 8.230 nan 0.000 0.431 217 L N -0.606 120.590 121.223 -0.045 0.000 2.043 217 L HA -0.280 4.060 4.340 -0.000 0.000 0.212 217 L C 2.656 179.516 176.870 -0.017 0.000 1.075 217 L CA 1.650 56.471 54.840 -0.031 0.000 0.752 217 L CB -0.706 41.348 42.059 -0.008 0.000 0.891 217 L HN 0.300 nan 8.230 nan 0.000 0.432 218 K N 0.283 120.675 120.400 -0.014 0.000 1.985 218 K HA -0.234 4.086 4.320 -0.000 0.000 0.210 218 K C 2.043 178.634 176.600 -0.014 0.000 1.047 218 K CA 2.038 58.321 56.287 -0.006 0.000 0.932 218 K CB -0.208 32.288 32.500 -0.005 0.000 0.716 218 K HN 0.490 nan 8.250 nan 0.000 0.439 219 E N 1.144 121.324 120.200 -0.032 0.000 2.153 219 E HA -0.182 4.168 4.350 -0.000 0.000 0.194 219 E C 1.882 178.447 176.600 -0.058 0.000 0.988 219 E CA 1.051 57.426 56.400 -0.042 0.000 0.811 219 E CB -0.387 29.281 29.700 -0.052 0.000 0.746 219 E HN 0.215 nan 8.360 nan 0.000 0.466 220 L N 0.425 121.595 121.223 -0.088 0.000 2.376 220 L HA 0.070 4.409 4.340 -0.000 0.000 0.219 220 L C 1.227 178.084 176.870 -0.022 0.000 1.133 220 L CA 0.582 55.358 54.840 -0.108 0.000 0.816 220 L CB -0.528 41.426 42.059 -0.175 0.000 0.933 220 L HN 0.553 nan 8.230 nan 0.000 0.449 221 G N 0.846 109.652 108.800 0.010 0.000 2.314 221 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.292 221 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.292 221 G C 0.070 175.045 174.900 0.124 0.000 1.059 221 G CA 0.074 45.209 45.100 0.058 0.000 0.982 221 G HN 0.101 nan 8.290 nan 0.000 0.505 222 V N 0.702 120.689 119.914 0.121 0.000 2.485 222 V HA 0.174 4.294 4.120 -0.000 0.000 0.287 222 V C 1.417 177.692 176.094 0.301 0.000 1.022 222 V CA 0.212 62.648 62.300 0.225 0.000 1.067 222 V CB 0.523 32.422 31.823 0.127 0.000 0.967 222 V HN 0.526 nan 8.190 nan 0.000 0.479 223 R N 5.204 125.974 120.500 0.451 0.000 2.490 223 R HA 0.334 4.674 4.340 -0.000 0.000 0.278 223 R C -2.400 174.127 176.300 0.378 0.000 1.069 223 R CA -1.645 54.654 56.100 0.333 0.000 1.080 223 R CB 0.646 31.100 30.300 0.257 0.000 1.030 223 R HN 0.457 nan 8.270 nan 0.000 0.491 224 P HA -0.086 nan 4.420 nan 0.000 0.267 224 P C 0.337 177.569 177.300 -0.114 0.000 1.200 224 P CA 0.041 63.191 63.100 0.083 0.000 0.772 224 P CB 0.506 32.231 31.700 0.042 0.000 0.855 225 M N 3.715 123.035 119.600 -0.466 0.000 2.267 225 M HA -0.121 4.358 4.480 -0.000 0.000 0.263 225 M C 1.364 177.489 176.300 -0.292 0.000 1.063 225 M CA 1.707 56.464 55.300 -0.905 0.000 1.090 225 M CB -1.228 30.965 32.600 -0.678 0.000 1.392 225 M HN 0.297 nan 8.290 nan 0.000 0.422 226 L N -0.187 120.959 121.223 -0.130 0.000 2.079 226 L HA -0.259 4.081 4.340 -0.000 0.000 0.210 226 L C 1.453 178.310 176.870 -0.021 0.000 1.081 226 L CA 1.438 56.249 54.840 -0.049 0.000 0.752 226 L CB -0.837 41.206 42.059 -0.026 0.000 0.896 226 L HN 0.286 nan 8.230 nan 0.000 0.433 227 D N -0.747 119.656 120.400 0.006 0.000 2.392 227 D HA -0.121 4.519 4.640 -0.000 0.000 0.228 227 D C 1.057 177.200 176.300 -0.262 0.000 1.003 227 D CA 1.066 55.007 54.000 -0.098 0.000 0.917 227 D CB 0.067 40.793 40.800 -0.122 0.000 0.890 227 D HN 0.293 nan 8.370 nan 0.000 0.532 228 F N -0.049 119.799 119.950 -0.170 0.000 2.683 228 F HA 0.251 4.778 4.527 -0.000 0.000 0.306 228 F C 0.763 176.515 175.800 -0.080 0.000 1.102 228 F CA -0.483 57.447 58.000 -0.116 0.000 1.244 228 F CB 0.084 39.023 39.000 -0.102 0.000 1.029 228 F HN -0.254 nan 8.300 nan 0.000 0.545 229 L N 0.414 121.665 121.223 0.047 0.000 2.456 229 L HA 0.324 4.664 4.340 -0.000 0.000 0.272 229 L C 1.245 178.126 176.870 0.019 0.000 1.189 229 L CA -0.216 54.642 54.840 0.029 0.000 0.846 229 L CB 0.105 42.169 42.059 0.009 0.000 1.111 229 L HN 0.216 nan 8.230 nan 0.000 0.475 230 G N 0.873 109.690 108.800 0.028 0.000 2.563 230 G HA2 0.105 4.065 3.960 -0.000 0.000 0.283 230 G HA3 0.105 4.065 3.960 -0.000 0.000 0.283 230 G C 0.646 175.554 174.900 0.014 0.000 1.309 230 G CA -0.216 44.896 45.100 0.021 0.000 1.022 230 G HN 0.745 nan 8.290 nan 0.000 0.501 231 E N -0.356 119.851 120.200 0.012 0.000 2.017 231 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 231 E C 2.190 178.804 176.600 0.023 0.000 0.997 231 E CA 2.128 58.535 56.400 0.011 0.000 0.804 231 E CB -0.320 29.385 29.700 0.008 0.000 0.757 231 E HN 0.654 nan 8.360 nan 0.000 0.448 232 E N 0.096 120.312 120.200 0.027 0.000 2.077 232 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 232 E C 2.089 178.722 176.600 0.056 0.000 0.989 232 E CA 1.033 57.457 56.400 0.039 0.000 0.800 232 E CB -0.272 29.446 29.700 0.031 0.000 0.746 232 E HN 0.403 nan 8.360 nan 0.000 0.452 233 A N 1.689 124.531 122.820 0.037 0.000 1.902 233 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 233 A C 2.145 179.769 177.584 0.066 0.000 1.181 233 A CA 1.752 53.812 52.037 0.039 0.000 0.623 233 A CB -0.413 18.599 19.000 0.021 0.000 0.818 233 A HN 0.041 nan 8.150 nan 0.000 0.443 234 R N 0.276 120.801 120.500 0.043 0.000 2.096 234 R HA -0.016 4.324 4.340 -0.000 0.000 0.235 234 R C 2.077 178.398 176.300 0.036 0.000 1.127 234 R CA 1.953 58.072 56.100 0.031 0.000 0.968 234 R CB -0.840 29.466 30.300 0.010 0.000 0.861 234 R HN 0.381 nan 8.270 nan 0.000 0.440 235 A N 0.194 123.041 122.820 0.044 0.000 1.858 235 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 235 A C 2.261 179.869 177.584 0.041 0.000 1.190 235 A CA 1.695 53.751 52.037 0.032 0.000 0.617 235 A CB -1.101 17.920 19.000 0.036 0.000 0.827 235 A HN 0.607 nan 8.150 nan 0.000 0.443 236 H N -0.521 118.542 119.070 -0.011 0.000 2.319 236 H HA -0.151 4.405 4.556 -0.000 0.000 0.299 236 H C 2.056 177.371 175.328 -0.022 0.000 1.092 236 H CA 2.075 58.118 56.048 -0.008 0.000 1.302 236 H CB -0.236 29.531 29.762 0.008 0.000 1.373 236 H HN 0.354 nan 8.280 nan 0.000 0.497 237 L N 1.484 122.790 121.223 0.139 0.000 2.083 237 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 237 L C 2.410 179.259 176.870 -0.035 0.000 1.083 237 L CA 1.771 56.648 54.840 0.061 0.000 0.752 237 L CB -0.566 41.529 42.059 0.060 0.000 0.899 237 L HN -0.005 nan 8.230 nan 0.000 0.433 238 K N -0.189 120.187 120.400 -0.040 0.000 2.097 238 K HA -0.132 4.188 4.320 -0.000 0.000 0.206 238 K C 2.041 178.549 176.600 -0.153 0.000 1.049 238 K CA 1.239 57.484 56.287 -0.070 0.000 0.933 238 K CB -0.171 32.299 32.500 -0.049 0.000 0.717 238 K HN 0.341 nan 8.250 nan 0.000 0.442 239 E N -0.039 120.038 120.200 -0.205 0.000 2.077 239 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 239 E C 2.026 178.323 176.600 -0.505 0.000 0.989 239 E CA 1.275 57.453 56.400 -0.370 0.000 0.800 239 E CB -0.296 29.206 29.700 -0.330 0.000 0.746 239 E HN 0.112 nan 8.360 nan 0.000 0.452 240 V N 1.711 121.451 119.914 -0.290 0.000 2.295 240 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 240 V C 2.188 178.145 176.094 -0.229 0.000 1.049 240 V CA 1.896 64.081 62.300 -0.193 0.000 1.024 240 V CB -0.527 31.222 31.823 -0.124 0.000 0.648 240 V HN 0.256 nan 8.190 nan 0.000 0.447 241 E N -0.182 119.889 120.200 -0.215 0.000 2.110 241 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 241 E C 2.435 178.980 176.600 -0.092 0.000 0.988 241 E CA 1.063 57.365 56.400 -0.163 0.000 0.804 241 E CB -0.207 29.488 29.700 -0.009 0.000 0.745 241 E HN 0.451 nan 8.360 nan 0.000 0.458 242 R N 0.214 120.607 120.500 -0.178 0.000 2.083 242 R HA -0.169 4.171 4.340 -0.000 0.000 0.237 242 R C 2.309 178.545 176.300 -0.106 0.000 1.137 242 R CA 1.497 57.496 56.100 -0.170 0.000 0.951 242 R CB -0.110 30.017 30.300 -0.288 0.000 0.851 242 R HN 0.295 nan 8.270 nan 0.000 0.434 243 H N 0.458 119.488 119.070 -0.067 0.000 2.321 243 H HA -0.107 4.449 4.556 -0.000 0.000 0.300 243 H C 2.207 177.490 175.328 -0.075 0.000 1.087 243 H CA 1.397 57.402 56.048 -0.071 0.000 1.319 243 H CB -0.431 29.276 29.762 -0.091 0.000 1.379 243 H HN 0.215 nan 8.280 nan 0.000 0.501 244 L N 0.709 121.934 121.223 0.004 0.000 2.046 244 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 244 L C 2.695 179.588 176.870 0.038 0.000 1.077 244 L CA 1.550 56.359 54.840 -0.052 0.000 0.747 244 L CB -0.397 41.520 42.059 -0.238 0.000 0.896 244 L HN 0.320 nan 8.230 nan 0.000 0.432 245 E N 1.056 121.311 120.200 0.092 0.000 2.058 245 E HA -0.309 4.041 4.350 -0.000 0.000 0.194 245 E C 2.268 178.893 176.600 0.042 0.000 0.997 245 E CA 1.579 58.034 56.400 0.091 0.000 0.801 245 E CB -0.042 29.708 29.700 0.083 0.000 0.746 245 E HN 0.223 nan 8.360 nan 0.000 0.450 246 R N 0.879 121.403 120.500 0.040 0.000 2.096 246 R HA -0.031 4.309 4.340 -0.000 0.000 0.235 246 R C 2.326 178.640 176.300 0.024 0.000 1.127 246 R CA 1.301 57.422 56.100 0.034 0.000 0.968 246 R CB -0.693 29.640 30.300 0.054 0.000 0.861 246 R HN 0.318 nan 8.270 nan 0.000 0.440 247 L N 0.243 121.478 121.223 0.020 0.000 2.599 247 L HA 0.146 4.486 4.340 -0.000 0.000 0.230 247 L C 0.172 177.045 176.870 0.006 0.000 1.141 247 L CA 0.427 55.271 54.840 0.006 0.000 0.877 247 L CB -0.040 42.013 42.059 -0.009 0.000 1.009 247 L HN 0.157 nan 8.230 nan 0.000 0.447 248 S N -0.601 115.104 115.700 0.008 0.000 3.698 248 S HA -0.120 4.350 4.470 -0.000 0.000 0.338 248 S C 0.262 174.848 174.600 -0.022 0.000 1.089 248 S CA 0.145 58.347 58.200 0.004 0.000 0.991 248 S CB -1.685 61.522 63.200 0.013 0.000 0.909 248 S HN 0.164 nan 8.310 nan 0.000 0.485 249 V N 3.378 123.255 119.914 -0.061 0.000 2.372 249 V HA 0.258 4.378 4.120 -0.000 0.000 0.261 249 V C -1.331 174.688 176.094 -0.124 0.000 1.055 249 V CA -1.524 60.639 62.300 -0.229 0.000 0.930 249 V CB 0.431 32.064 31.823 -0.317 0.000 1.031 249 V HN 0.209 nan 8.190 nan 0.000 0.479 250 P HA 0.181 nan 4.420 nan 0.000 0.270 250 P C -1.174 176.092 177.300 -0.055 0.000 1.242 250 P CA 0.269 63.309 63.100 -0.101 0.000 0.768 250 P CB 0.223 31.883 31.700 -0.066 0.000 0.820 251 Y N 0.135 120.358 120.300 -0.129 0.000 2.669 251 Y HA 0.825 5.375 4.550 -0.000 0.000 0.335 251 Y C -0.955 174.910 175.900 -0.058 0.000 1.116 251 Y CA -1.762 56.279 58.100 -0.098 0.000 1.081 251 Y CB 1.304 39.698 38.460 -0.110 0.000 1.297 251 Y HN 0.196 nan 8.280 nan 0.000 0.484 252 E N 1.019 121.257 120.200 0.064 0.000 2.256 252 E HA 0.459 4.809 4.350 -0.000 0.000 0.268 252 E C -2.149 174.543 176.600 0.154 0.000 0.877 252 E CA -0.733 55.656 56.400 -0.018 0.000 0.757 252 E CB 1.839 31.531 29.700 -0.014 0.000 1.183 252 E HN 0.741 nan 8.360 nan 0.000 0.418 253 L N 3.885 125.177 121.223 0.115 0.000 2.281 253 L HA 0.313 4.653 4.340 -0.000 0.000 0.285 253 L C -0.438 176.475 176.870 0.072 0.000 1.074 253 L CA 0.104 55.038 54.840 0.156 0.000 0.817 253 L CB 0.625 42.772 42.059 0.147 0.000 1.168 253 L HN 0.469 nan 8.230 nan 0.000 0.434 254 E N 7.093 127.334 120.200 0.068 0.000 2.283 254 E HA 0.243 4.593 4.350 -0.000 0.000 0.278 254 E C -1.724 174.889 176.600 0.021 0.000 1.027 254 E CA -1.890 54.529 56.400 0.033 0.000 0.843 254 E CB 1.229 30.947 29.700 0.031 0.000 1.062 254 E HN 0.441 nan 8.360 nan 0.000 0.401 255 P HA -0.127 nan 4.420 nan 0.000 0.214 255 P C -0.189 177.107 177.300 -0.006 0.000 1.163 255 P CA 1.123 64.227 63.100 0.006 0.000 0.883 255 P CB 0.481 32.189 31.700 0.012 0.000 0.788 256 A N -0.493 122.325 122.820 -0.002 0.000 2.547 256 A HA 0.495 4.815 4.320 -0.000 0.000 0.279 256 A C -1.336 176.246 177.584 -0.003 0.000 1.088 256 A CA -0.393 51.636 52.037 -0.013 0.000 0.796 256 A CB 0.487 19.489 19.000 0.004 0.000 1.308 256 A HN 0.098 nan 8.150 nan 0.000 0.415 257 L N 4.153 125.369 121.223 -0.012 0.000 2.504 257 L HA 0.451 4.790 4.340 -0.000 0.000 0.249 257 L C -0.659 176.185 176.870 -0.043 0.000 1.120 257 L CA -0.199 54.634 54.840 -0.011 0.000 0.997 257 L CB 1.000 43.061 42.059 0.004 0.000 1.349 257 L HN 0.431 nan 8.230 nan 0.000 0.439 258 V N 3.449 123.345 119.914 -0.029 0.000 2.479 258 V HA 0.240 4.360 4.120 -0.000 0.000 0.281 258 V C 0.864 176.912 176.094 -0.077 0.000 1.031 258 V CA -0.350 61.925 62.300 -0.040 0.000 1.038 258 V CB 0.514 32.337 31.823 -0.000 0.000 0.981 258 V HN 0.595 nan 8.190 nan 0.000 0.478 259 R N 3.401 123.812 120.500 -0.147 0.000 2.531 259 R HA 0.467 4.807 4.340 -0.000 0.000 0.273 259 R C 1.399 177.635 176.300 -0.106 0.000 1.070 259 R CA 0.544 56.513 56.100 -0.218 0.000 1.112 259 R CB 0.981 30.945 30.300 -0.559 0.000 1.049 259 R HN 0.796 nan 8.270 nan 0.000 0.508 260 G N 2.111 110.866 108.800 -0.075 0.000 2.848 260 G HA2 0.094 4.054 3.960 -0.000 0.000 0.208 260 G HA3 0.094 4.054 3.960 -0.000 0.000 0.208 260 G C -0.392 174.491 174.900 -0.028 0.000 1.152 260 G CA 0.275 45.354 45.100 -0.034 0.000 0.789 260 G HN 0.275 nan 8.290 nan 0.000 0.531 261 L N -0.191 121.011 121.223 -0.035 0.000 2.346 261 L HA 0.473 4.813 4.340 -0.000 0.000 0.276 261 L C 0.074 176.843 176.870 -0.167 0.000 1.006 261 L CA -0.569 54.167 54.840 -0.172 0.000 0.817 261 L CB 2.238 44.012 42.059 -0.475 0.000 1.272 261 L HN -0.206 nan 8.230 nan 0.000 0.421 262 D N 0.304 120.622 120.400 -0.137 0.000 2.349 262 D HA -0.082 4.558 4.640 -0.000 0.000 0.224 262 D C 1.482 177.791 176.300 0.015 0.000 1.029 262 D CA 0.814 54.798 54.000 -0.027 0.000 0.879 262 D CB 0.181 40.997 40.800 0.027 0.000 0.906 262 D HN 0.641 nan 8.370 nan 0.000 0.528 263 Y N -1.474 118.846 120.300 0.033 0.000 2.583 263 Y HA 0.117 4.667 4.550 -0.000 0.000 0.293 263 Y C 0.246 176.150 175.900 0.006 0.000 1.157 263 Y CA -0.621 57.463 58.100 -0.027 0.000 1.315 263 Y CB -1.377 37.010 38.460 -0.123 0.000 1.021 263 Y HN -0.200 nan 8.280 nan 0.000 0.536 264 Y N 0.914 121.255 120.300 0.069 0.000 2.457 264 Y HA 0.333 4.883 4.550 -0.000 0.000 0.341 264 Y C 0.157 176.120 175.900 0.106 0.000 1.240 264 Y CA -0.246 57.935 58.100 0.134 0.000 1.437 264 Y CB 0.888 39.352 38.460 0.007 0.000 1.328 264 Y HN -0.086 nan 8.280 nan 0.000 0.588 265 V N 4.275 124.362 119.914 0.288 0.000 2.852 265 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 265 V C -0.312 175.844 176.094 0.104 0.000 1.205 265 V CA -0.774 61.612 62.300 0.144 0.000 0.940 265 V CB 1.352 33.225 31.823 0.083 0.000 1.047 265 V HN 0.979 nan 8.190 nan 0.000 0.429 266 R N 2.463 122.997 120.500 0.057 0.000 4.066 266 R HA -0.166 4.174 4.340 -0.000 0.000 0.288 266 R C 0.146 176.501 176.300 0.092 0.000 0.241 266 R CA 1.232 57.348 56.100 0.026 0.000 0.984 266 R CB -1.832 28.406 30.300 -0.103 0.000 1.043 266 R HN 0.787 nan 8.270 nan 0.000 0.539 267 T N 1.426 116.062 114.554 0.136 0.000 2.933 267 T HA 0.363 4.713 4.350 -0.000 0.000 0.306 267 T C 0.015 174.856 174.700 0.235 0.000 1.045 267 T CA 0.703 62.929 62.100 0.210 0.000 1.143 267 T CB 0.749 69.787 68.868 0.283 0.000 1.003 267 T HN 0.594 nan 8.240 nan 0.000 0.540 268 A N 3.052 125.991 122.820 0.199 0.000 2.459 268 A HA 0.761 5.081 4.320 -0.000 0.000 0.296 268 A C -0.900 176.795 177.584 0.185 0.000 1.039 268 A CA -1.058 51.007 52.037 0.047 0.000 0.698 268 A CB 1.035 19.967 19.000 -0.115 0.000 1.261 268 A HN 0.785 nan 8.150 nan 0.000 0.405 269 F N -0.492 119.459 119.950 0.002 0.000 2.662 269 F HA 0.924 5.451 4.527 -0.000 0.000 0.312 269 F C -0.583 175.246 175.800 0.049 0.000 1.113 269 F CA -0.853 57.164 58.000 0.028 0.000 0.951 269 F CB 1.358 40.376 39.000 0.030 0.000 1.344 269 F HN 0.538 nan 8.300 nan 0.000 0.462 270 E N 0.739 121.080 120.200 0.235 0.000 2.372 270 E HA 0.593 4.943 4.350 -0.000 0.000 0.279 270 E C -1.942 174.798 176.600 0.234 0.000 0.946 270 E CA -1.103 55.380 56.400 0.139 0.000 0.769 270 E CB 3.307 33.082 29.700 0.124 0.000 1.230 270 E HN 0.525 nan 8.360 nan 0.000 0.442 271 V N 2.851 122.838 119.914 0.121 0.000 2.448 271 V HA 0.380 4.500 4.120 -0.000 0.000 0.295 271 V C -0.393 175.730 176.094 0.049 0.000 1.025 271 V CA -0.657 61.739 62.300 0.160 0.000 0.859 271 V CB 1.287 33.186 31.823 0.127 0.000 0.988 271 V HN 0.615 nan 8.190 nan 0.000 0.431 272 H N 3.043 122.167 119.070 0.090 0.000 2.710 272 H HA 0.562 5.118 4.556 -0.000 0.000 0.361 272 H C -1.206 174.191 175.328 0.116 0.000 1.175 272 H CA -0.654 55.447 56.048 0.089 0.000 1.206 272 H CB 2.701 32.499 29.762 0.060 0.000 1.750 272 H HN 0.640 nan 8.280 nan 0.000 0.553 273 H N 1.194 120.353 119.070 0.148 0.000 2.689 273 H HA 0.102 4.658 4.556 -0.000 0.000 0.346 273 H C 0.028 175.409 175.328 0.088 0.000 1.037 273 H CA -0.246 55.854 56.048 0.088 0.000 1.234 273 H CB 1.475 31.264 29.762 0.045 0.000 1.572 273 H HN 0.816 nan 8.280 nan 0.000 0.524 274 E N 2.727 122.803 120.200 -0.205 0.000 2.072 274 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 274 E C -0.244 176.373 176.600 0.028 0.000 0.985 274 E CA 0.955 57.309 56.400 -0.076 0.000 0.801 274 E CB 0.275 29.901 29.700 -0.123 0.000 0.750 274 E HN 0.584 nan 8.360 nan 0.000 0.452 275 E N 0.351 120.594 120.200 0.071 0.000 1.979 275 E HA 0.172 4.522 4.350 -0.000 0.000 0.285 275 E C 0.252 177.012 176.600 0.267 0.000 1.188 275 E CA 0.140 56.657 56.400 0.195 0.000 1.214 275 E CB 0.241 30.071 29.700 0.216 0.000 1.210 275 E HN 0.248 nan 8.360 nan 0.000 0.477 276 I N -0.464 120.216 120.570 0.183 0.000 5.007 276 I HA 0.283 4.453 4.170 -0.000 0.000 0.323 276 I C 1.008 177.180 176.117 0.091 0.000 1.195 276 I CA 0.113 61.492 61.300 0.132 0.000 1.407 276 I CB 0.836 38.917 38.000 0.136 0.000 1.544 276 I HN 0.518 nan 8.210 nan 0.000 0.505 277 G N 1.186 110.038 108.800 0.086 0.000 2.337 277 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.197 277 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.197 277 G C 0.555 175.490 174.900 0.059 0.000 1.238 277 G CA 0.015 45.152 45.100 0.061 0.000 1.119 277 G HN 0.208 nan 8.290 nan 0.000 0.514 278 A N -1.091 121.756 122.820 0.045 0.000 1.986 278 A HA 0.070 4.390 4.320 -0.000 0.000 0.220 278 A C 1.403 179.019 177.584 0.052 0.000 1.171 278 A CA 2.510 54.571 52.037 0.041 0.000 0.640 278 A CB -0.331 18.685 19.000 0.027 0.000 0.811 278 A HN 0.675 nan 8.150 nan 0.000 0.451 279 Q N 0.176 120.008 119.800 0.054 0.000 2.569 279 Q HA 0.281 4.621 4.340 -0.000 0.000 0.226 279 Q C 0.645 176.690 176.000 0.076 0.000 1.136 279 Q CA 0.544 56.379 55.803 0.053 0.000 0.947 279 Q CB 0.777 29.534 28.738 0.032 0.000 1.218 279 Q HN 0.611 nan 8.270 nan 0.000 0.547 280 S N -0.563 115.210 115.700 0.121 0.000 2.503 280 S HA 0.212 4.681 4.470 -0.000 0.000 0.217 280 S C 0.994 175.654 174.600 0.100 0.000 0.999 280 S CA -0.041 58.261 58.200 0.169 0.000 0.914 280 S CB 0.355 63.698 63.200 0.237 0.000 0.782 280 S HN 0.439 nan 8.310 nan 0.000 0.520 281 A N 2.074 124.847 122.820 -0.079 0.000 2.438 281 A HA 0.548 4.868 4.320 -0.000 0.000 0.280 281 A C 1.045 178.526 177.584 -0.172 0.000 1.160 281 A CA -0.408 51.358 52.037 -0.453 0.000 0.821 281 A CB -0.335 18.372 19.000 -0.488 0.000 1.101 281 A HN 0.523 nan 8.150 nan 0.000 0.515 282 L N 2.626 123.777 121.223 -0.121 0.000 2.109 282 L HA 0.192 4.532 4.340 -0.000 0.000 0.207 282 L C 1.399 178.302 176.870 0.054 0.000 1.086 282 L CA 1.081 55.906 54.840 -0.025 0.000 0.760 282 L CB -0.342 41.687 42.059 -0.051 0.000 0.910 282 L HN 0.827 nan 8.230 nan 0.000 0.437 283 G N -1.823 106.992 108.800 0.024 0.000 2.451 283 G HA2 0.528 4.488 3.960 -0.000 0.000 0.292 283 G HA3 0.528 4.488 3.960 -0.000 0.000 0.292 283 G C -1.382 173.555 174.900 0.062 0.000 1.427 283 G CA 0.006 45.192 45.100 0.143 0.000 0.792 283 G HN 0.161 nan 8.290 nan 0.000 0.498 284 G N -2.187 106.670 108.800 0.095 0.000 2.554 284 G HA2 1.014 4.974 3.960 -0.000 0.000 0.306 284 G HA3 1.014 4.974 3.960 -0.000 0.000 0.306 284 G C -0.229 174.564 174.900 -0.178 0.000 1.320 284 G CA 0.633 45.674 45.100 -0.099 0.000 0.800 284 G HN 2.209 nan 8.290 nan 0.000 0.481 285 G N -2.455 105.951 108.800 -0.656 0.000 2.335 285 G HA2 0.869 4.829 3.960 -0.000 0.000 0.291 285 G HA3 0.869 4.829 3.960 -0.000 0.000 0.291 285 G C -0.255 174.345 174.900 -0.501 0.000 1.261 285 G CA 0.850 45.722 45.100 -0.379 0.000 0.871 285 G HN 2.363 nan 8.290 nan 0.000 0.491 286 G N -1.307 107.669 108.800 0.292 0.000 2.315 286 G HA2 0.582 4.542 3.960 -0.000 0.000 0.294 286 G HA3 0.582 4.542 3.960 -0.000 0.000 0.294 286 G C -1.214 174.087 174.900 0.669 0.000 1.300 286 G CA -0.211 45.201 45.100 0.520 0.000 0.843 286 G HN 0.696 nan 8.290 nan 0.000 0.527 287 R N -0.874 119.916 120.500 0.483 0.000 2.500 287 R HA 0.635 4.975 4.340 -0.000 0.000 0.275 287 R C -0.581 175.853 176.300 0.224 0.000 1.051 287 R CA -0.551 55.659 56.100 0.184 0.000 1.088 287 R CB 0.522 30.872 30.300 0.083 0.000 1.063 287 R HN 0.934 nan 8.270 nan 0.000 0.511 288 Y N -0.499 119.852 120.300 0.085 0.000 2.721 288 Y HA 0.351 4.901 4.550 -0.000 0.000 0.284 288 Y C -1.503 174.384 175.900 -0.023 0.000 0.976 288 Y CA -1.460 56.662 58.100 0.036 0.000 1.142 288 Y CB -0.397 38.054 38.460 -0.014 0.000 1.168 288 Y HN 0.408 nan 8.280 nan 0.000 0.615 289 D N 1.246 121.597 120.400 -0.082 0.000 2.399 289 D HA 0.446 5.086 4.640 -0.000 0.000 0.241 289 D C 1.370 177.674 176.300 0.006 0.000 1.133 289 D CA 1.769 55.722 54.000 -0.079 0.000 0.890 289 D CB 1.359 42.106 40.800 -0.088 0.000 1.201 289 D HN 0.808 nan 8.370 nan 0.000 0.432 290 G N 0.501 109.298 108.800 -0.004 0.000 2.258 290 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.233 290 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.233 290 G C 0.978 175.887 174.900 0.015 0.000 1.006 290 G CA 0.324 45.431 45.100 0.012 0.000 0.620 290 G HN 0.486 nan 8.290 nan 0.000 0.511 291 L N 2.591 123.833 121.223 0.032 0.000 2.012 291 L HA 0.049 4.389 4.340 -0.000 0.000 0.210 291 L C 2.993 179.824 176.870 -0.064 0.000 1.073 291 L CA 3.475 58.299 54.840 -0.026 0.000 0.748 291 L CB -0.894 41.103 42.059 -0.103 0.000 0.891 291 L HN 0.818 nan 8.230 nan 0.000 0.431 292 S N -1.131 114.534 115.700 -0.058 0.000 2.370 292 S HA -0.256 4.214 4.470 -0.000 0.000 0.226 292 S C 1.805 176.376 174.600 -0.049 0.000 1.033 292 S CA 1.447 59.606 58.200 -0.068 0.000 1.011 292 S CB -0.854 62.302 63.200 -0.074 0.000 0.852 292 S HN 0.657 nan 8.310 nan 0.000 0.457 293 E N 1.378 121.558 120.200 -0.034 0.000 2.106 293 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 293 E C 2.032 178.617 176.600 -0.025 0.000 0.984 293 E CA 1.121 57.507 56.400 -0.024 0.000 0.806 293 E CB -0.412 29.280 29.700 -0.014 0.000 0.750 293 E HN 0.508 nan 8.360 nan 0.000 0.458 294 L N 0.463 121.671 121.223 -0.025 0.000 2.191 294 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 294 L C 1.844 178.688 176.870 -0.043 0.000 1.103 294 L CA 0.752 55.578 54.840 -0.024 0.000 0.769 294 L CB -0.179 41.873 42.059 -0.013 0.000 0.908 294 L HN 0.181 nan 8.230 nan 0.000 0.438 295 L N -0.381 120.805 121.223 -0.061 0.000 2.629 295 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 295 L C 1.229 178.061 176.870 -0.063 0.000 1.151 295 L CA 0.302 55.095 54.840 -0.078 0.000 0.924 295 L CB -0.345 41.652 42.059 -0.105 0.000 1.137 295 L HN 0.408 nan 8.230 nan 0.000 0.457 296 G N 0.221 108.993 108.800 -0.047 0.000 2.149 296 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.235 296 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.235 296 G C 0.341 175.220 174.900 -0.035 0.000 1.018 296 G CA -0.056 45.021 45.100 -0.039 0.000 0.728 296 G HN 0.538 nan 8.290 nan 0.000 0.508 297 G N -0.796 107.984 108.800 -0.033 0.000 2.820 297 G HA2 0.828 4.788 3.960 -0.000 0.000 0.291 297 G HA3 0.828 4.788 3.960 -0.000 0.000 0.291 297 G C -2.208 172.683 174.900 -0.015 0.000 1.323 297 G CA -1.008 44.079 45.100 -0.023 0.000 1.055 297 G HN 0.199 nan 8.290 nan 0.000 0.520 298 P HA 0.259 nan 4.420 nan 0.000 0.286 298 P C -0.321 176.973 177.300 -0.010 0.000 1.293 298 P CA -0.624 62.475 63.100 -0.002 0.000 0.770 298 P CB 0.492 32.198 31.700 0.010 0.000 1.206 299 R N 0.245 120.738 120.500 -0.011 0.000 2.347 299 R HA 0.357 4.696 4.340 -0.000 0.000 0.304 299 R C -1.421 174.856 176.300 -0.038 0.000 1.072 299 R CA -0.063 56.023 56.100 -0.024 0.000 0.980 299 R CB -0.240 30.049 30.300 -0.018 0.000 0.986 299 R HN 0.184 nan 8.270 nan 0.000 0.448 300 V N 7.859 127.726 119.914 -0.078 0.000 2.462 300 V HA 0.301 4.421 4.120 -0.000 0.000 0.288 300 V C -2.243 173.740 176.094 -0.184 0.000 1.020 300 V CA -1.880 60.333 62.300 -0.146 0.000 0.857 300 V CB 1.691 33.358 31.823 -0.260 0.000 1.013 300 V HN 0.842 nan 8.190 nan 0.000 0.431 301 P HA 0.561 nan 4.420 nan 0.000 0.272 301 P C 0.095 177.203 177.300 -0.319 0.000 1.230 301 P CA 0.119 63.097 63.100 -0.203 0.000 0.788 301 P CB 0.994 32.620 31.700 -0.124 0.000 0.949 302 G N -0.544 107.947 108.800 -0.515 0.000 2.667 302 G HA2 0.558 4.518 3.960 -0.000 0.000 0.294 302 G HA3 0.558 4.518 3.960 -0.000 0.000 0.294 302 G C -1.695 172.633 174.900 -0.955 0.000 1.467 302 G CA -0.551 44.119 45.100 -0.718 0.000 0.852 302 G HN 0.388 nan 8.290 nan 0.000 0.521 303 V N -0.926 118.757 119.914 -0.384 0.000 3.078 303 V HA 1.077 5.197 4.120 -0.000 0.000 0.311 303 V C 0.527 176.795 176.094 0.290 0.000 1.138 303 V CA -0.158 62.157 62.300 0.026 0.000 1.007 303 V CB 1.321 33.267 31.823 0.205 0.000 1.045 303 V HN 2.107 nan 8.190 nan 0.000 0.432 304 G N 0.624 109.745 108.800 0.535 0.000 2.340 304 G HA2 0.764 4.724 3.960 -0.000 0.000 0.299 304 G HA3 0.764 4.724 3.960 -0.000 0.000 0.299 304 G C -1.720 173.574 174.900 0.657 0.000 1.291 304 G CA 0.058 45.455 45.100 0.495 0.000 0.841 304 G HN 1.793 nan 8.290 nan 0.000 0.500 305 F N -2.362 117.868 119.950 0.467 0.000 2.831 305 F HA 0.965 5.492 4.527 -0.000 0.000 0.318 305 F C -0.459 175.510 175.800 0.282 0.000 1.174 305 F CA -1.108 57.094 58.000 0.336 0.000 0.918 305 F CB 1.382 40.663 39.000 0.468 0.000 1.364 305 F HN 1.577 nan 8.300 nan 0.000 0.475 306 A N 1.038 124.160 122.820 0.503 0.000 2.589 306 A HA 0.786 5.106 4.320 -0.000 0.000 0.296 306 A C -2.056 175.794 177.584 0.443 0.000 1.062 306 A CA -0.528 51.679 52.037 0.284 0.000 0.686 306 A CB 1.238 20.314 19.000 0.126 0.000 1.282 306 A HN 1.622 nan 8.150 nan 0.000 0.404 307 F N -0.021 120.097 119.950 0.281 0.000 2.588 307 F HA 0.795 5.322 4.527 -0.000 0.000 0.310 307 F C 0.266 176.143 175.800 0.128 0.000 1.082 307 F CA -0.952 57.159 58.000 0.186 0.000 0.929 307 F CB 1.299 40.406 39.000 0.179 0.000 1.254 307 F HN 0.838 nan 8.300 nan 0.000 0.455 308 G N 1.992 110.995 108.800 0.339 0.000 2.360 308 G HA2 0.406 4.366 3.960 -0.000 0.000 0.279 308 G HA3 0.406 4.366 3.960 -0.000 0.000 0.279 308 G C 0.456 175.497 174.900 0.236 0.000 1.189 308 G CA -0.482 44.749 45.100 0.219 0.000 0.941 308 G HN 0.761 nan 8.290 nan 0.000 0.445 309 V N 2.914 122.895 119.914 0.110 0.000 2.332 309 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 309 V C 2.672 178.670 176.094 -0.159 0.000 1.055 309 V CA 2.265 64.552 62.300 -0.023 0.000 1.038 309 V CB -0.479 31.184 31.823 -0.266 0.000 0.651 309 V HN 0.708 nan 8.190 nan 0.000 0.450 310 E N -0.121 119.994 120.200 -0.142 0.000 2.077 310 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 310 E C 2.458 179.068 176.600 0.016 0.000 0.989 310 E CA 0.941 57.303 56.400 -0.064 0.000 0.800 310 E CB -0.291 29.324 29.700 -0.142 0.000 0.746 310 E HN 0.378 nan 8.360 nan 0.000 0.452 311 R N 0.294 120.810 120.500 0.027 0.000 2.083 311 R HA -0.090 4.250 4.340 -0.000 0.000 0.237 311 R C 2.372 178.664 176.300 -0.014 0.000 1.137 311 R CA 1.125 57.243 56.100 0.030 0.000 0.951 311 R CB -1.041 29.280 30.300 0.035 0.000 0.851 311 R HN 0.171 nan 8.270 nan 0.000 0.434 312 V N 1.391 121.297 119.914 -0.013 0.000 2.392 312 V HA -0.235 3.885 4.120 -0.000 0.000 0.249 312 V C 2.574 178.611 176.094 -0.096 0.000 1.059 312 V CA 1.828 64.073 62.300 -0.091 0.000 1.051 312 V CB -0.870 30.900 31.823 -0.088 0.000 0.658 312 V HN 0.344 nan 8.190 nan 0.000 0.455 313 A N -0.320 122.471 122.820 -0.049 0.000 1.902 313 A HA -0.141 4.178 4.320 -0.000 0.000 0.217 313 A C 2.230 179.810 177.584 -0.006 0.000 1.181 313 A CA 1.686 53.715 52.037 -0.012 0.000 0.623 313 A CB -0.484 18.544 19.000 0.047 0.000 0.818 313 A HN 0.494 nan 8.150 nan 0.000 0.443 314 L N -0.854 120.367 121.223 -0.003 0.000 2.046 314 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 314 L C 3.138 179.964 176.870 -0.073 0.000 1.077 314 L CA 1.101 55.941 54.840 -0.001 0.000 0.747 314 L CB -0.579 41.496 42.059 0.026 0.000 0.896 314 L HN 0.457 nan 8.230 nan 0.000 0.432 315 A N 0.070 122.778 122.820 -0.186 0.000 1.908 315 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 315 A C 2.246 179.661 177.584 -0.282 0.000 1.181 315 A CA 1.489 53.237 52.037 -0.482 0.000 0.627 315 A CB -0.712 17.926 19.000 -0.603 0.000 0.818 315 A HN 0.350 nan 8.150 nan 0.000 0.445 316 L N -0.893 120.250 121.223 -0.134 0.000 2.017 316 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 316 L C 2.705 179.668 176.870 0.155 0.000 1.073 316 L CA 1.912 56.762 54.840 0.016 0.000 0.745 316 L CB -0.447 41.580 42.059 -0.053 0.000 0.894 316 L HN 0.620 nan 8.230 nan 0.000 0.432 317 E N 0.254 120.496 120.200 0.070 0.000 2.051 317 E HA -0.270 4.080 4.350 -0.000 0.000 0.192 317 E C 2.200 178.840 176.600 0.067 0.000 0.991 317 E CA 1.260 57.704 56.400 0.073 0.000 0.799 317 E CB -0.039 29.690 29.700 0.048 0.000 0.748 317 E HN 0.458 nan 8.360 nan 0.000 0.449 318 A N 1.184 124.034 122.820 0.051 0.000 1.940 318 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 318 A C 1.737 179.386 177.584 0.107 0.000 1.176 318 A CA 1.596 53.681 52.037 0.080 0.000 0.631 318 A CB -0.435 18.633 19.000 0.113 0.000 0.814 318 A HN 0.340 nan 8.150 nan 0.000 0.446 319 E N -1.177 119.109 120.200 0.143 0.000 2.463 319 E HA 0.259 4.608 4.350 -0.000 0.000 0.191 319 E C 0.979 177.555 176.600 -0.041 0.000 1.083 319 E CA 0.227 56.717 56.400 0.151 0.000 0.872 319 E CB -0.308 29.596 29.700 0.339 0.000 0.966 319 E HN 0.754 nan 8.360 nan 0.000 0.491 320 G N 1.456 110.241 108.800 -0.025 0.000 2.153 320 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.252 320 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.252 320 G C -0.070 174.714 174.900 -0.194 0.000 0.994 320 G CA -0.194 44.834 45.100 -0.120 0.000 0.698 320 G HN 0.239 nan 8.290 nan 0.000 0.521 321 F N 1.543 121.487 119.950 -0.011 0.000 2.471 321 F HA 0.534 5.061 4.527 -0.000 0.000 0.365 321 F C 1.304 177.098 175.800 -0.010 0.000 1.095 321 F CA 0.639 58.631 58.000 -0.013 0.000 1.174 321 F CB 1.168 40.155 39.000 -0.023 0.000 1.105 321 F HN 0.223 nan 8.300 nan 0.000 0.535 322 G N 2.964 111.839 108.800 0.124 0.000 2.820 322 G HA2 0.680 4.639 3.960 -0.000 0.000 0.291 322 G HA3 0.680 4.639 3.960 -0.000 0.000 0.291 322 G C -1.818 173.132 174.900 0.083 0.000 1.323 322 G CA -0.654 44.494 45.100 0.080 0.000 1.055 322 G HN 0.342 nan 8.290 nan 0.000 0.520 323 L N 1.385 122.639 121.223 0.052 0.000 2.362 323 L HA 0.589 4.929 4.340 -0.000 0.000 0.271 323 L C -1.627 175.261 176.870 0.030 0.000 1.002 323 L CA -1.909 52.957 54.840 0.044 0.000 0.818 323 L CB 1.973 44.053 42.059 0.035 0.000 1.298 323 L HN 0.422 nan 8.230 nan 0.000 0.420 324 P HA 0.234 nan 4.420 nan 0.000 0.333 324 P C -0.953 176.356 177.300 0.016 0.000 1.315 324 P CA -0.459 62.653 63.100 0.020 0.000 0.746 324 P CB 0.581 32.293 31.700 0.020 0.000 1.575 325 E N 0.397 120.604 120.200 0.013 0.000 2.223 325 E HA 0.162 4.512 4.350 -0.000 0.000 0.282 325 E C -0.041 176.566 176.600 0.013 0.000 1.046 325 E CA -0.259 56.147 56.400 0.010 0.000 0.857 325 E CB 0.043 29.746 29.700 0.005 0.000 1.055 325 E HN 0.321 nan 8.360 nan 0.000 0.409 326 E N 2.671 122.880 120.200 0.014 0.000 2.480 326 E HA -0.064 4.286 4.350 -0.000 0.000 0.258 326 E C -0.416 176.192 176.600 0.014 0.000 0.984 326 E CA 0.219 56.630 56.400 0.017 0.000 0.930 326 E CB 0.363 30.074 29.700 0.020 0.000 0.936 326 E HN 0.133 nan 8.360 nan 0.000 0.466 327 K N 2.517 122.928 120.400 0.018 0.000 2.382 327 K HA 0.234 4.554 4.320 -0.000 0.000 0.275 327 K C 0.331 176.942 176.600 0.018 0.000 1.009 327 K CA 0.294 56.592 56.287 0.019 0.000 0.970 327 K CB 0.839 33.354 32.500 0.025 0.000 0.934 327 K HN 0.671 nan 8.250 nan 0.000 0.479 328 G N 2.599 111.409 108.800 0.016 0.000 2.557 328 G HA2 0.379 4.339 3.960 -0.000 0.000 0.302 328 G HA3 0.379 4.339 3.960 -0.000 0.000 0.302 328 G C -2.488 172.434 174.900 0.036 0.000 1.311 328 G CA -1.135 43.973 45.100 0.013 0.000 1.030 328 G HN 0.380 nan 8.290 nan 0.000 0.509 329 P HA 0.174 nan 4.420 nan 0.000 0.274 329 P C -0.300 177.066 177.300 0.110 0.000 1.231 329 P CA -0.266 62.885 63.100 0.084 0.000 0.790 329 P CB 1.549 33.318 31.700 0.115 0.000 0.951 330 D N 0.500 120.972 120.400 0.119 0.000 2.144 330 D HA -0.039 4.601 4.640 -0.000 0.000 0.200 330 D C 0.625 177.058 176.300 0.222 0.000 0.978 330 D CA 1.578 55.674 54.000 0.162 0.000 0.833 330 D CB 0.011 40.885 40.800 0.123 0.000 0.961 330 D HN 0.206 nan 8.370 nan 0.000 0.470 331 L N -0.615 120.713 121.223 0.176 0.000 2.431 331 L HA 0.373 4.713 4.340 -0.000 0.000 0.266 331 L C -1.948 175.040 176.870 0.196 0.000 0.978 331 L CA -1.067 53.884 54.840 0.185 0.000 0.822 331 L CB 2.285 44.408 42.059 0.105 0.000 1.310 331 L HN -0.164 nan 8.230 nan 0.000 0.409 332 Y N 5.284 125.610 120.300 0.044 0.000 2.376 332 Y HA 0.609 5.158 4.550 -0.000 0.000 0.326 332 Y C -1.370 174.519 175.900 -0.017 0.000 0.970 332 Y CA -0.771 57.336 58.100 0.012 0.000 1.248 332 Y CB 1.058 39.509 38.460 -0.016 0.000 1.117 332 Y HN 0.571 nan 8.280 nan 0.000 0.476 333 L N 7.791 128.792 121.223 -0.369 0.000 2.319 333 L HA 0.368 4.708 4.340 -0.000 0.000 0.280 333 L C -0.063 176.537 176.870 -0.451 0.000 1.099 333 L CA -0.311 54.352 54.840 -0.295 0.000 0.828 333 L CB 0.959 42.950 42.059 -0.113 0.000 1.150 333 L HN 0.666 nan 8.230 nan 0.000 0.442 334 I N 5.477 125.872 120.570 -0.291 0.000 2.382 334 I HA 0.469 4.638 4.170 -0.000 0.000 0.286 334 I C -2.533 173.578 176.117 -0.011 0.000 1.002 334 I CA -2.295 58.912 61.300 -0.155 0.000 1.135 334 I CB 2.135 40.097 38.000 -0.064 0.000 1.288 334 I HN 0.328 nan 8.210 nan 0.000 0.448 335 P HA 0.265 nan 4.420 nan 0.000 0.280 335 P C 0.142 177.482 177.300 0.068 0.000 1.244 335 P CA -0.300 62.816 63.100 0.028 0.000 0.784 335 P CB 1.197 32.899 31.700 0.002 0.000 0.913 336 L N 0.951 122.220 121.223 0.077 0.000 2.513 336 L HA 0.172 4.511 4.340 -0.000 0.000 0.222 336 L C 1.094 177.990 176.870 0.044 0.000 1.096 336 L CA 0.551 55.437 54.840 0.076 0.000 0.857 336 L CB -0.151 41.958 42.059 0.083 0.000 1.026 336 L HN 0.450 nan 8.230 nan 0.000 0.469 337 T N -5.395 109.178 114.554 0.031 0.000 2.901 337 T HA 0.268 4.618 4.350 -0.000 0.000 0.293 337 T C 0.485 175.192 174.700 0.011 0.000 1.084 337 T CA -0.611 61.501 62.100 0.019 0.000 1.008 337 T CB 2.597 71.474 68.868 0.015 0.000 1.170 337 T HN -0.123 nan 8.240 nan 0.000 0.509 338 E N 0.494 120.699 120.200 0.008 0.000 2.110 338 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 338 E C 1.846 178.440 176.600 -0.009 0.000 0.988 338 E CA 1.773 58.173 56.400 0.001 0.000 0.804 338 E CB -0.174 29.527 29.700 0.003 0.000 0.745 338 E HN 0.817 nan 8.360 nan 0.000 0.458 339 E N -0.622 119.576 120.200 -0.002 0.000 2.204 339 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 339 E C 1.730 178.319 176.600 -0.018 0.000 0.990 339 E CA 0.929 57.328 56.400 -0.003 0.000 0.821 339 E CB -0.150 29.556 29.700 0.010 0.000 0.750 339 E HN 0.340 nan 8.360 nan 0.000 0.477 340 A N 0.879 123.688 122.820 -0.018 0.000 2.014 340 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 340 A C 2.385 179.922 177.584 -0.078 0.000 1.163 340 A CA 1.242 53.260 52.037 -0.032 0.000 0.652 340 A CB -0.749 18.248 19.000 -0.005 0.000 0.808 340 A HN 0.313 nan 8.150 nan 0.000 0.449 341 V N -1.873 117.997 119.914 -0.073 0.000 2.282 341 V HA -0.223 3.897 4.120 -0.000 0.000 0.249 341 V C 2.489 178.447 176.094 -0.226 0.000 1.057 341 V CA 2.238 64.476 62.300 -0.103 0.000 1.032 341 V CB -1.610 30.183 31.823 -0.051 0.000 0.645 341 V HN 0.489 nan 8.190 nan 0.000 0.447 342 A N -0.172 122.498 122.820 -0.249 0.000 1.930 342 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 342 A C 2.170 179.280 177.584 -0.790 0.000 1.175 342 A CA 1.573 53.323 52.037 -0.478 0.000 0.627 342 A CB -0.588 18.201 19.000 -0.350 0.000 0.815 342 A HN 0.600 nan 8.150 nan 0.000 0.443 343 E N 0.137 120.108 120.200 -0.382 0.000 2.110 343 E HA -0.125 4.224 4.350 -0.000 0.000 0.193 343 E C 2.300 178.770 176.600 -0.217 0.000 0.988 343 E CA 1.184 57.475 56.400 -0.180 0.000 0.804 343 E CB -0.590 29.099 29.700 -0.020 0.000 0.745 343 E HN 0.581 nan 8.360 nan 0.000 0.458 344 A N 1.053 123.718 122.820 -0.258 0.000 1.902 344 A HA -0.176 4.143 4.320 -0.000 0.000 0.217 344 A C 2.066 179.389 177.584 -0.434 0.000 1.181 344 A CA 1.292 53.176 52.037 -0.254 0.000 0.623 344 A CB -0.789 18.089 19.000 -0.204 0.000 0.818 344 A HN 0.293 nan 8.150 nan 0.000 0.443 345 F N 0.052 119.452 119.950 -0.916 0.000 2.095 345 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 345 F C 2.042 177.599 175.800 -0.405 0.000 1.104 345 F CA 1.408 58.770 58.000 -1.064 0.000 1.232 345 F CB -0.768 37.641 39.000 -0.986 0.000 0.987 345 F HN 0.312 nan 8.300 nan 0.000 0.475 346 Y N 0.037 120.010 120.300 -0.546 0.000 2.181 346 Y HA -0.159 4.391 4.550 -0.000 0.000 0.288 346 Y C 2.406 178.099 175.900 -0.345 0.000 1.146 346 Y CA 1.242 59.027 58.100 -0.526 0.000 1.164 346 Y CB -1.571 36.716 38.460 -0.287 0.000 0.982 346 Y HN 0.207 nan 8.280 nan 0.000 0.515 347 L N 0.322 121.495 121.223 -0.083 0.000 2.017 347 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 347 L C 2.404 179.233 176.870 -0.067 0.000 1.073 347 L CA 1.982 56.784 54.840 -0.064 0.000 0.745 347 L CB -1.198 40.830 42.059 -0.052 0.000 0.894 347 L HN 0.130 nan 8.230 nan 0.000 0.432 348 A N -0.905 121.873 122.820 -0.071 0.000 1.892 348 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 348 A C 2.213 179.796 177.584 -0.001 0.000 1.188 348 A CA 1.856 53.910 52.037 0.029 0.000 0.631 348 A CB -0.700 18.423 19.000 0.206 0.000 0.822 348 A HN 0.528 nan 8.150 nan 0.000 0.447 349 E N -0.288 119.845 120.200 -0.111 0.000 2.153 349 E HA -0.129 4.220 4.350 -0.000 0.000 0.194 349 E C 2.241 178.798 176.600 -0.072 0.000 0.988 349 E CA 1.158 57.489 56.400 -0.115 0.000 0.811 349 E CB -0.427 29.098 29.700 -0.291 0.000 0.746 349 E HN 0.584 nan 8.360 nan 0.000 0.466 350 A N 0.365 123.140 122.820 -0.076 0.000 2.014 350 A HA -0.057 4.263 4.320 -0.000 0.000 0.218 350 A C 2.241 179.808 177.584 -0.028 0.000 1.163 350 A CA 0.670 52.675 52.037 -0.052 0.000 0.652 350 A CB -0.314 18.653 19.000 -0.054 0.000 0.808 350 A HN 0.184 nan 8.150 nan 0.000 0.449 351 L N -1.038 120.176 121.223 -0.016 0.000 2.307 351 L HA 0.070 4.410 4.340 -0.000 0.000 0.211 351 L C 1.022 177.900 176.870 0.012 0.000 1.099 351 L CA 0.097 54.936 54.840 -0.001 0.000 0.816 351 L CB -0.231 41.832 42.059 0.007 0.000 0.952 351 L HN 0.223 nan 8.230 nan 0.000 0.455 352 R N 0.993 121.506 120.500 0.021 0.000 2.560 352 R HA 0.139 4.479 4.340 -0.000 0.000 0.270 352 R C -1.450 174.863 176.300 0.021 0.000 1.074 352 R CA -1.155 54.964 56.100 0.032 0.000 1.140 352 R CB 0.131 30.463 30.300 0.053 0.000 1.073 352 R HN -0.093 nan 8.270 nan 0.000 0.527 353 P HA 0.085 nan 4.420 nan 0.000 0.261 353 P C 0.592 177.909 177.300 0.028 0.000 1.268 353 P CA 0.211 63.330 63.100 0.031 0.000 0.833 353 P CB 0.463 32.181 31.700 0.031 0.000 1.231 354 R N -0.238 120.274 120.500 0.021 0.000 2.159 354 R HA 0.004 4.344 4.340 -0.000 0.000 0.237 354 R C 0.455 176.768 176.300 0.022 0.000 1.131 354 R CA 1.086 57.197 56.100 0.018 0.000 0.982 354 R CB -0.665 29.641 30.300 0.011 0.000 0.868 354 R HN 0.136 nan 8.270 nan 0.000 0.453 355 L N -0.213 121.026 121.223 0.026 0.000 2.381 355 L HA 0.445 4.785 4.340 -0.000 0.000 0.268 355 L C -0.711 176.187 176.870 0.046 0.000 0.997 355 L CA -0.934 53.925 54.840 0.033 0.000 0.818 355 L CB 1.890 43.963 42.059 0.024 0.000 1.310 355 L HN -0.006 nan 8.230 nan 0.000 0.416 356 R N 2.694 123.228 120.500 0.057 0.000 2.205 356 R HA 0.739 5.079 4.340 -0.000 0.000 0.342 356 R C -1.125 175.225 176.300 0.083 0.000 1.058 356 R CA -0.238 55.902 56.100 0.066 0.000 0.904 356 R CB 0.491 30.829 30.300 0.063 0.000 1.089 356 R HN 0.724 nan 8.270 nan 0.000 0.471 357 A N 4.476 127.351 122.820 0.092 0.000 2.318 357 A HA 0.449 4.769 4.320 -0.000 0.000 0.317 357 A C -0.915 176.753 177.584 0.140 0.000 1.159 357 A CA -0.674 51.430 52.037 0.113 0.000 0.799 357 A CB 1.168 20.228 19.000 0.099 0.000 1.194 357 A HN 0.835 nan 8.150 nan 0.000 0.479 358 E N -0.040 120.241 120.200 0.135 0.000 2.378 358 E HA 0.717 5.067 4.350 -0.000 0.000 0.265 358 E C -1.598 174.975 176.600 -0.046 0.000 0.932 358 E CA -0.613 55.817 56.400 0.050 0.000 0.795 358 E CB 2.316 32.094 29.700 0.129 0.000 1.296 358 E HN 0.724 nan 8.360 nan 0.000 0.438 359 Y N -2.145 118.062 120.300 -0.155 0.000 2.656 359 Y HA 0.727 5.277 4.550 -0.000 0.000 0.334 359 Y C -1.220 174.495 175.900 -0.309 0.000 1.179 359 Y CA -1.537 56.302 58.100 -0.436 0.000 1.050 359 Y CB 0.518 38.853 38.460 -0.207 0.000 1.308 359 Y HN 0.506 nan 8.280 nan 0.000 0.456 360 A N 1.913 124.616 122.820 -0.195 0.000 2.316 360 A HA 0.547 4.866 4.320 -0.000 0.000 0.284 360 A C 0.032 177.702 177.584 0.143 0.000 1.115 360 A CA -0.721 51.328 52.037 0.020 0.000 0.812 360 A CB 0.354 19.384 19.000 0.050 0.000 1.064 360 A HN 0.984 nan 8.150 nan 0.000 0.489 361 L N 0.901 122.185 121.223 0.103 0.000 2.629 361 L HA 0.335 4.675 4.340 -0.000 0.000 0.230 361 L C 0.767 177.667 176.870 0.050 0.000 1.151 361 L CA 0.558 55.458 54.840 0.100 0.000 0.924 361 L CB -0.269 41.823 42.059 0.054 0.000 1.137 361 L HN 0.822 nan 8.230 nan 0.000 0.457 362 A N -0.820 122.029 122.820 0.049 0.000 2.594 362 A HA 0.687 5.007 4.320 -0.000 0.000 0.295 362 A C -2.790 174.818 177.584 0.040 0.000 1.071 362 A CA -1.121 50.937 52.037 0.034 0.000 0.685 362 A CB 1.187 20.206 19.000 0.031 0.000 1.285 362 A HN -0.193 nan 8.150 nan 0.000 0.405 363 P HA 0.459 nan 4.420 nan 0.000 0.272 363 P C -0.767 176.565 177.300 0.053 0.000 1.223 363 P CA -0.063 63.061 63.100 0.041 0.000 0.784 363 P CB 0.474 32.193 31.700 0.031 0.000 0.923 364 R N -0.296 120.246 120.500 0.070 0.000 2.712 364 R HA 0.429 4.769 4.340 -0.000 0.000 0.272 364 R C -1.182 175.174 176.300 0.094 0.000 1.032 364 R CA -1.047 55.100 56.100 0.078 0.000 0.874 364 R CB 0.831 31.186 30.300 0.091 0.000 1.256 364 R HN 0.228 nan 8.270 nan 0.000 0.468 365 K N 1.135 121.584 120.400 0.082 0.000 2.382 365 K HA 0.120 4.440 4.320 -0.000 0.000 0.275 365 K C -1.811 174.867 176.600 0.130 0.000 1.009 365 K CA -1.416 54.919 56.287 0.080 0.000 0.970 365 K CB 0.689 33.222 32.500 0.055 0.000 0.934 365 K HN 0.253 nan 8.250 nan 0.000 0.479 366 P HA -0.316 nan 4.420 nan 0.000 0.217 366 P C 1.008 178.467 177.300 0.265 0.000 1.162 366 P CA 1.871 65.114 63.100 0.237 0.000 0.901 366 P CB 0.130 31.797 31.700 -0.055 0.000 0.793 367 A N -0.435 122.467 122.820 0.138 0.000 1.908 367 A HA -0.276 4.044 4.320 -0.000 0.000 0.218 367 A C 2.076 179.731 177.584 0.117 0.000 1.181 367 A CA 2.205 54.313 52.037 0.117 0.000 0.627 367 A CB -1.114 17.926 19.000 0.067 0.000 0.818 367 A HN 0.190 nan 8.150 nan 0.000 0.445 368 K N -1.011 119.454 120.400 0.108 0.000 2.026 368 K HA -0.081 4.239 4.320 -0.000 0.000 0.208 368 K C 2.168 178.837 176.600 0.114 0.000 1.048 368 K CA 1.150 57.492 56.287 0.091 0.000 0.929 368 K CB -0.522 32.026 32.500 0.080 0.000 0.713 368 K HN 0.454 nan 8.250 nan 0.000 0.439 369 G N 1.515 110.414 108.800 0.164 0.000 2.432 369 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 369 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 369 G C 1.460 176.462 174.900 0.170 0.000 1.135 369 G CA 0.373 45.593 45.100 0.200 0.000 0.767 369 G HN 0.088 nan 8.290 nan 0.000 0.550 370 L N 0.457 121.782 121.223 0.169 0.000 2.056 370 L HA 0.068 4.408 4.340 -0.000 0.000 0.207 370 L C 2.629 179.533 176.870 0.057 0.000 1.078 370 L CA 2.115 57.031 54.840 0.126 0.000 0.749 370 L CB -0.349 41.831 42.059 0.201 0.000 0.901 370 L HN 0.380 nan 8.230 nan 0.000 0.433 371 E N -0.536 119.695 120.200 0.051 0.000 2.110 371 E HA -0.252 4.098 4.350 -0.000 0.000 0.193 371 E C 1.903 178.478 176.600 -0.041 0.000 0.988 371 E CA 1.377 57.783 56.400 0.009 0.000 0.804 371 E CB -0.000 29.710 29.700 0.017 0.000 0.745 371 E HN 0.629 nan 8.360 nan 0.000 0.458 372 E N 0.043 120.214 120.200 -0.048 0.000 2.106 372 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 372 E C 1.993 178.364 176.600 -0.381 0.000 0.984 372 E CA 0.816 57.117 56.400 -0.165 0.000 0.806 372 E CB -0.078 29.565 29.700 -0.095 0.000 0.750 372 E HN 0.311 nan 8.360 nan 0.000 0.458 373 A N 0.943 123.584 122.820 -0.298 0.000 1.898 373 A HA -0.161 4.158 4.320 -0.000 0.000 0.216 373 A C 2.092 179.562 177.584 -0.190 0.000 1.181 373 A CA 0.965 52.814 52.037 -0.314 0.000 0.620 373 A CB -0.417 18.580 19.000 -0.004 0.000 0.819 373 A HN 0.110 nan 8.150 nan 0.000 0.442 374 L N -0.088 121.069 121.223 -0.110 0.000 2.017 374 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 374 L C 2.409 179.226 176.870 -0.089 0.000 1.073 374 L CA 2.110 56.905 54.840 -0.075 0.000 0.745 374 L CB -0.610 41.425 42.059 -0.041 0.000 0.894 374 L HN 0.378 nan 8.230 nan 0.000 0.432 375 K N -0.609 119.728 120.400 -0.106 0.000 2.063 375 K HA -0.173 4.147 4.320 -0.000 0.000 0.208 375 K C 2.063 178.595 176.600 -0.114 0.000 1.048 375 K CA 1.392 57.621 56.287 -0.096 0.000 0.928 375 K CB -0.052 32.389 32.500 -0.097 0.000 0.713 375 K HN 0.231 nan 8.250 nan 0.000 0.442 376 R N -0.666 119.724 120.500 -0.183 0.000 2.339 376 R HA -0.036 4.304 4.340 -0.000 0.000 0.199 376 R C 0.894 177.132 176.300 -0.104 0.000 1.018 376 R CA 0.594 56.589 56.100 -0.175 0.000 1.036 376 R CB -0.028 30.085 30.300 -0.312 0.000 0.899 376 R HN 0.471 nan 8.270 nan 0.000 0.473 377 G N 0.715 109.464 108.800 -0.085 0.000 2.198 377 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 377 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 377 G C 0.170 175.052 174.900 -0.029 0.000 1.025 377 G CA 0.199 45.271 45.100 -0.047 0.000 0.769 377 G HN 0.518 nan 8.290 nan 0.000 0.507 378 A N -0.571 122.228 122.820 -0.035 0.000 2.462 378 A HA 0.802 5.122 4.320 -0.000 0.000 0.243 378 A C 1.617 179.214 177.584 0.022 0.000 1.076 378 A CA 0.923 52.974 52.037 0.024 0.000 0.773 378 A CB 0.565 19.601 19.000 0.060 0.000 1.010 378 A HN 1.729 nan 8.150 nan 0.000 0.493 379 A N 1.982 124.843 122.820 0.069 0.000 1.874 379 A HA 0.390 4.710 4.320 -0.000 0.000 0.214 379 A C 0.357 177.865 177.584 -0.127 0.000 1.189 379 A CA 0.876 52.913 52.037 0.000 0.000 0.615 379 A CB -0.173 18.907 19.000 0.134 0.000 0.830 379 A HN 0.689 nan 8.150 nan 0.000 0.443 380 F N -1.658 118.325 119.950 0.055 0.000 2.546 380 F HA 0.660 5.187 4.527 -0.000 0.000 0.320 380 F C 0.291 176.112 175.800 0.036 0.000 1.076 380 F CA -0.622 57.414 58.000 0.059 0.000 0.928 380 F CB 1.977 41.028 39.000 0.085 0.000 1.189 380 F HN 0.161 nan 8.300 nan 0.000 0.465 381 A N 1.173 124.101 122.820 0.179 0.000 2.324 381 A HA 0.827 5.147 4.320 -0.000 0.000 0.330 381 A C -0.320 177.197 177.584 -0.112 0.000 1.165 381 A CA -0.473 51.553 52.037 -0.018 0.000 0.813 381 A CB 0.891 19.798 19.000 -0.155 0.000 1.197 381 A HN 0.931 nan 8.150 nan 0.000 0.484 382 G N 0.605 109.257 108.800 -0.248 0.000 2.609 382 G HA2 0.593 4.553 3.960 -0.000 0.000 0.308 382 G HA3 0.593 4.553 3.960 -0.000 0.000 0.308 382 G C -1.163 173.551 174.900 -0.310 0.000 1.369 382 G CA -0.340 44.649 45.100 -0.186 0.000 0.958 382 G HN 0.391 nan 8.290 nan 0.000 0.499 383 F N 1.277 121.246 119.950 0.033 0.000 2.421 383 F HA 0.550 5.077 4.527 -0.000 0.000 0.337 383 F C 0.404 176.204 175.800 -0.000 0.000 1.105 383 F CA -0.809 57.202 58.000 0.019 0.000 1.049 383 F CB 2.205 41.221 39.000 0.025 0.000 1.139 383 F HN 0.059 nan 8.300 nan 0.000 0.479 384 L N 3.617 124.948 121.223 0.181 0.000 2.417 384 L HA 0.532 4.872 4.340 -0.000 0.000 0.259 384 L C 0.205 177.123 176.870 0.081 0.000 1.023 384 L CA -0.291 54.603 54.840 0.091 0.000 0.901 384 L CB 0.877 42.952 42.059 0.027 0.000 1.227 384 L HN 0.821 nan 8.230 nan 0.000 0.454 385 G N 0.191 109.035 108.800 0.073 0.000 2.938 385 G HA2 0.256 4.216 3.960 -0.000 0.000 0.258 385 G HA3 0.256 4.216 3.960 -0.000 0.000 0.258 385 G C 0.440 175.355 174.900 0.025 0.000 1.356 385 G CA -0.163 44.964 45.100 0.045 0.000 1.052 385 G HN 0.456 nan 8.290 nan 0.000 0.550 386 E N -0.211 119.998 120.200 0.015 0.000 2.070 386 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 386 E C 1.864 178.468 176.600 0.007 0.000 1.004 386 E CA 2.021 58.427 56.400 0.009 0.000 0.805 386 E CB -0.075 29.628 29.700 0.005 0.000 0.744 386 E HN 0.450 nan 8.360 nan 0.000 0.451 387 D N 0.395 120.797 120.400 0.004 0.000 2.087 387 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 387 D C 1.805 178.108 176.300 0.004 0.000 0.993 387 D CA 1.663 55.663 54.000 0.001 0.000 0.828 387 D CB -0.394 40.403 40.800 -0.006 0.000 0.968 387 D HN 0.479 nan 8.370 nan 0.000 0.448 388 E N 1.183 121.390 120.200 0.011 0.000 2.153 388 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 388 E C 2.584 179.191 176.600 0.011 0.000 0.988 388 E CA 0.340 56.748 56.400 0.013 0.000 0.811 388 E CB -0.696 29.020 29.700 0.027 0.000 0.746 388 E HN 0.347 nan 8.360 nan 0.000 0.466 389 L N 0.496 121.727 121.223 0.013 0.000 2.017 389 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 389 L C 2.867 179.742 176.870 0.009 0.000 1.073 389 L CA 1.423 56.271 54.840 0.013 0.000 0.745 389 L CB -0.298 41.769 42.059 0.015 0.000 0.894 389 L HN 0.079 nan 8.230 nan 0.000 0.432 390 R N -0.393 120.111 120.500 0.006 0.000 2.148 390 R HA -0.009 4.331 4.340 -0.000 0.000 0.223 390 R C 2.053 178.353 176.300 -0.000 0.000 1.088 390 R CA 1.021 57.123 56.100 0.003 0.000 0.985 390 R CB -0.196 30.105 30.300 0.002 0.000 0.880 390 R HN 0.286 nan 8.270 nan 0.000 0.451 391 A N 0.293 123.112 122.820 -0.001 0.000 2.195 391 A HA 0.236 4.556 4.320 -0.000 0.000 0.210 391 A C 1.352 178.932 177.584 -0.006 0.000 1.165 391 A CA 0.624 52.659 52.037 -0.004 0.000 0.806 391 A CB 0.088 19.085 19.000 -0.005 0.000 0.847 391 A HN 0.387 nan 8.150 nan 0.000 0.482 392 G N -0.229 108.569 108.800 -0.004 0.000 2.198 392 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.257 392 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.257 392 G C -0.173 174.720 174.900 -0.011 0.000 1.042 392 G CA 0.631 45.727 45.100 -0.007 0.000 0.791 392 G HN 0.641 nan 8.290 nan 0.000 0.502 393 E N -1.829 118.366 120.200 -0.008 0.000 2.370 393 E HA 0.792 5.142 4.350 -0.000 0.000 0.259 393 E C -0.479 176.117 176.600 -0.006 0.000 0.947 393 E CA -1.089 55.303 56.400 -0.014 0.000 0.809 393 E CB 2.498 32.189 29.700 -0.015 0.000 1.300 393 E HN 0.260 nan 8.360 nan 0.000 0.419 394 V N 0.498 120.405 119.914 -0.011 0.000 2.888 394 V HA 0.297 4.417 4.120 -0.000 0.000 0.309 394 V C -0.790 175.317 176.094 0.021 0.000 1.114 394 V CA -0.909 61.395 62.300 0.008 0.000 0.940 394 V CB 2.191 34.005 31.823 -0.016 0.000 1.021 394 V HN 0.662 nan 8.190 nan 0.000 0.426 395 T N 5.640 120.252 114.554 0.096 0.000 2.781 395 T HA 0.578 4.928 4.350 -0.000 0.000 0.305 395 T C -0.203 174.618 174.700 0.202 0.000 1.001 395 T CA -0.118 62.071 62.100 0.148 0.000 0.950 395 T CB 0.044 69.039 68.868 0.212 0.000 0.955 395 T HN 0.341 nan 8.240 nan 0.000 0.471 396 L N 3.193 124.480 121.223 0.107 0.000 2.379 396 L HA 0.607 4.947 4.340 -0.000 0.000 0.269 396 L C 0.405 177.443 176.870 0.280 0.000 1.084 396 L CA -0.710 54.225 54.840 0.158 0.000 0.802 396 L CB 1.114 43.194 42.059 0.035 0.000 1.175 396 L HN 0.389 nan 8.230 nan 0.000 0.448 397 K N 2.951 123.570 120.400 0.364 0.000 2.652 397 K HA 0.254 4.574 4.320 -0.000 0.000 0.249 397 K C -0.934 175.764 176.600 0.162 0.000 0.986 397 K CA -0.739 55.719 56.287 0.286 0.000 0.867 397 K CB 1.530 34.199 32.500 0.282 0.000 1.201 397 K HN 0.524 nan 8.250 nan 0.000 0.450 398 R N 5.626 126.109 120.500 -0.029 0.000 2.351 398 R HA 0.097 4.437 4.340 -0.000 0.000 0.318 398 R C 0.776 176.929 176.300 -0.244 0.000 1.055 398 R CA -0.047 55.706 56.100 -0.578 0.000 0.968 398 R CB 0.389 30.318 30.300 -0.619 0.000 0.974 398 R HN 0.733 nan 8.270 nan 0.000 0.439 399 L N 4.063 125.150 121.223 -0.226 0.000 2.265 399 L HA -0.157 4.183 4.340 -0.000 0.000 0.215 399 L C 2.192 179.008 176.870 -0.090 0.000 1.117 399 L CA 1.260 56.040 54.840 -0.100 0.000 0.782 399 L CB -0.514 41.500 42.059 -0.074 0.000 0.914 399 L HN 0.787 nan 8.230 nan 0.000 0.441 400 A N 0.572 123.310 122.820 -0.135 0.000 1.835 400 A HA -0.145 4.174 4.320 -0.000 0.000 0.213 400 A C 2.419 179.965 177.584 -0.063 0.000 1.210 400 A CA 1.890 53.871 52.037 -0.093 0.000 0.605 400 A CB -0.893 18.042 19.000 -0.107 0.000 0.860 400 A HN 0.428 nan 8.150 nan 0.000 0.447 401 T N -4.113 110.399 114.554 -0.070 0.000 3.067 401 T HA 0.365 4.715 4.350 -0.000 0.000 0.261 401 T C 1.542 176.239 174.700 -0.006 0.000 1.110 401 T CA 1.224 63.307 62.100 -0.028 0.000 1.113 401 T CB -0.004 68.856 68.868 -0.015 0.000 0.917 401 T HN 1.772 nan 8.240 nan 0.000 0.499 402 G N 1.511 110.306 108.800 -0.009 0.000 2.179 402 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.260 402 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.260 402 G C -0.100 174.833 174.900 0.055 0.000 0.977 402 G CA 0.289 45.404 45.100 0.026 0.000 0.641 402 G HN 0.879 nan 8.290 nan 0.000 0.533 403 E N 0.732 120.967 120.200 0.059 0.000 2.415 403 E HA 0.339 4.689 4.350 -0.000 0.000 0.260 403 E C 0.283 176.971 176.600 0.147 0.000 1.016 403 E CA 0.011 56.472 56.400 0.101 0.000 0.924 403 E CB 0.199 29.973 29.700 0.122 0.000 0.961 403 E HN 0.511 nan 8.360 nan 0.000 0.459 404 Q N 3.322 123.199 119.800 0.128 0.000 2.282 404 Q HA 0.497 4.837 4.340 -0.000 0.000 0.260 404 Q C -1.651 174.408 176.000 0.098 0.000 0.964 404 Q CA -0.887 54.999 55.803 0.137 0.000 0.880 404 Q CB 1.802 30.608 28.738 0.113 0.000 1.286 404 Q HN 0.423 nan 8.270 nan 0.000 0.445 405 V N 3.190 123.142 119.914 0.063 0.000 2.760 405 V HA 0.513 4.633 4.120 -0.000 0.000 0.309 405 V C -1.048 175.003 176.094 -0.071 0.000 1.077 405 V CA -0.861 61.412 62.300 -0.046 0.000 0.910 405 V CB 2.026 33.713 31.823 -0.227 0.000 1.008 405 V HN 0.763 nan 8.190 nan 0.000 0.424 406 R N 5.171 125.632 120.500 -0.065 0.000 2.310 406 R HA 0.836 5.176 4.340 -0.000 0.000 0.324 406 R C -1.185 175.065 176.300 -0.084 0.000 0.955 406 R CA -0.285 55.784 56.100 -0.051 0.000 0.830 406 R CB 0.879 31.166 30.300 -0.021 0.000 1.154 406 R HN 0.791 nan 8.270 nan 0.000 0.458 407 L N 0.784 121.945 121.223 -0.103 0.000 2.403 407 L HA 0.736 5.076 4.340 -0.000 0.000 0.253 407 L C -0.628 176.200 176.870 -0.069 0.000 1.045 407 L CA -1.250 53.529 54.840 -0.102 0.000 0.845 407 L CB 2.020 43.977 42.059 -0.170 0.000 1.447 407 L HN 0.669 nan 8.230 nan 0.000 0.411 408 S N -0.238 115.431 115.700 -0.051 0.000 2.585 408 S HA 0.330 4.800 4.470 -0.000 0.000 0.273 408 S C 0.896 175.473 174.600 -0.039 0.000 1.339 408 S CA -0.483 57.696 58.200 -0.036 0.000 1.028 408 S CB 1.382 64.566 63.200 -0.026 0.000 0.906 408 S HN 0.823 nan 8.310 nan 0.000 0.528 409 R N 1.266 121.748 120.500 -0.031 0.000 2.119 409 R HA -0.191 4.149 4.340 -0.000 0.000 0.246 409 R C 1.961 178.243 176.300 -0.029 0.000 1.146 409 R CA 2.309 58.391 56.100 -0.030 0.000 0.962 409 R CB -0.559 29.726 30.300 -0.025 0.000 0.863 409 R HN 0.802 nan 8.270 nan 0.000 0.442 410 E N 0.322 120.507 120.200 -0.024 0.000 2.204 410 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 410 E C 1.575 178.167 176.600 -0.013 0.000 0.990 410 E CA 1.092 57.480 56.400 -0.019 0.000 0.821 410 E CB -0.061 29.629 29.700 -0.017 0.000 0.750 410 E HN 0.467 nan 8.360 nan 0.000 0.477 411 E N 0.414 120.605 120.200 -0.015 0.000 2.158 411 E HA -0.066 4.284 4.350 -0.000 0.000 0.191 411 E C 2.047 178.651 176.600 0.007 0.000 0.982 411 E CA 0.660 57.059 56.400 -0.001 0.000 0.823 411 E CB 0.049 29.743 29.700 -0.010 0.000 0.766 411 E HN 0.064 nan 8.360 nan 0.000 0.468 412 V N 1.881 121.779 119.914 -0.025 0.000 2.277 412 V HA -0.276 3.844 4.120 -0.000 0.000 0.253 412 V C -0.715 175.376 176.094 -0.005 0.000 1.067 412 V CA 2.380 64.660 62.300 -0.033 0.000 1.047 412 V CB -1.638 30.152 31.823 -0.055 0.000 0.649 412 V HN 0.215 nan 8.190 nan 0.000 0.447 413 P HA -0.122 nan 4.420 nan 0.000 0.215 413 P C 1.742 179.043 177.300 0.001 0.000 1.157 413 P CA 1.981 65.076 63.100 -0.008 0.000 0.868 413 P CB -0.385 31.310 31.700 -0.008 0.000 0.788 414 G N -1.369 107.442 108.800 0.017 0.000 2.421 414 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.216 414 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.216 414 G C 1.602 176.519 174.900 0.029 0.000 1.171 414 G CA 0.695 45.808 45.100 0.021 0.000 0.775 414 G HN 0.223 nan 8.290 nan 0.000 0.543 415 Y N 1.152 121.406 120.300 -0.075 0.000 2.128 415 Y HA -0.105 4.445 4.550 -0.000 0.000 0.284 415 Y C 2.602 178.412 175.900 -0.151 0.000 1.154 415 Y CA 1.604 59.648 58.100 -0.094 0.000 1.149 415 Y CB -0.237 38.157 38.460 -0.110 0.000 0.976 415 Y HN 0.114 nan 8.280 nan 0.000 0.505 416 L N -0.623 120.567 121.223 -0.054 0.000 2.046 416 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 416 L C 2.495 179.287 176.870 -0.130 0.000 1.077 416 L CA 1.238 55.943 54.840 -0.225 0.000 0.747 416 L CB -0.644 41.298 42.059 -0.195 0.000 0.896 416 L HN 0.305 nan 8.230 nan 0.000 0.432 417 L N -0.275 120.904 121.223 -0.072 0.000 2.046 417 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 417 L C 2.755 179.595 176.870 -0.050 0.000 1.077 417 L CA 1.400 56.216 54.840 -0.040 0.000 0.747 417 L CB -0.392 41.654 42.059 -0.022 0.000 0.896 417 L HN 0.418 nan 8.230 nan 0.000 0.432 418 Q N -0.226 119.523 119.800 -0.084 0.000 2.230 418 Q HA -0.065 4.275 4.340 -0.000 0.000 0.202 418 Q C 1.852 177.786 176.000 -0.109 0.000 0.963 418 Q CA 1.487 57.238 55.803 -0.087 0.000 0.866 418 Q CB -0.456 28.227 28.738 -0.091 0.000 0.931 418 Q HN 0.314 nan 8.270 nan 0.000 0.452 419 A N -0.004 122.714 122.820 -0.169 0.000 2.169 419 A HA 0.258 4.578 4.320 -0.000 0.000 0.212 419 A C 1.622 179.231 177.584 0.041 0.000 1.153 419 A CA 0.595 52.568 52.037 -0.107 0.000 0.756 419 A CB -0.020 18.865 19.000 -0.192 0.000 0.813 419 A HN 0.386 nan 8.150 nan 0.000 0.471 420 L N -2.275 118.969 121.223 0.035 0.000 2.993 420 L HA 0.289 4.629 4.340 -0.000 0.000 0.264 420 L C 1.361 178.250 176.870 0.033 0.000 1.154 420 L CA 0.056 54.937 54.840 0.069 0.000 0.972 420 L CB 0.422 42.551 42.059 0.116 0.000 1.373 420 L HN 0.342 nan 8.230 nan 0.000 0.564 421 G N 0.000 108.806 108.800 0.011 0.000 5.446 421 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 421 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 421 G CA 0.000 45.104 45.100 0.007 0.000 0.502 421 G HN 0.000 nan 8.290 nan 0.000 0.925