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 2zx5_1_B DATA FIRST_RESID 7 DATA SEQUENCE RYKPDWESLR EHTVPKWFDK AKFGIFIHWG IYSVPGWATP TGELGKVPMD DATA SEQUENCE AWFFQNPYAE WYENSLRIKE SPTWEYHVKT YGENFEYEKF ADLFTAEKWD DATA SEQUENCE PQEWADLFKK AGAKYVIPTT KHHDGFCLWG TKYTDFNSVK RGPKRDLVGD DATA SEQUENCE LAKAVREAGL RFGVYYSGGL DWRFTTEPIR YPEDLSYIRP NTYEYADYAY DATA SEQUENCE KQVMELVDLY LPDVLWNDMG WPEKGKEDLK YLFAYYYNKH PEGSVNDRWG DATA SEQUENCE VPHWDFKTAE YHVNYPGDLP GYKWEFTRGI GLSFGYNRNE GPEHMLSVEQ DATA SEQUENCE LVYTLVDVVS KGGNLLLNVG PKGDGTIPDL QKERLLGLGE WLRKYGDAIY DATA SEQUENCE GTSVWERCCA KTEDGTEIRF TRKCNRIFVI FLGIPTGEKI VIEDLNLSAG DATA SEQUENCE TVRHFLTGER LSFKNVGKNL EITVPKKLLE TDSITLVLEA V 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 7 R HA 0.000 nan 4.340 nan 0.000 0.208 7 R C 0.000 176.112 176.300 -0.313 0.000 0.893 7 R CA 0.000 56.001 56.100 -0.164 0.000 0.921 7 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 8 Y N 1.080 121.382 120.300 0.003 0.000 2.485 8 Y HA 0.524 5.074 4.550 0.001 0.000 0.345 8 Y C -0.085 175.802 175.900 -0.022 0.000 0.998 8 Y CA -0.812 57.286 58.100 -0.005 0.000 1.059 8 Y CB 2.113 40.597 38.460 0.039 0.000 1.234 8 Y HN 0.086 nan 8.280 nan 0.000 0.461 9 K N 3.594 124.050 120.400 0.093 0.000 2.123 9 K HA 0.337 4.658 4.320 0.001 0.000 0.259 9 K C -2.564 173.981 176.600 -0.091 0.000 0.960 9 K CA -2.045 54.240 56.287 -0.003 0.000 0.872 9 K CB 1.072 33.552 32.500 -0.034 0.000 1.079 9 K HN 0.293 nan 8.250 nan 0.000 0.440 10 P HA -0.059 nan 4.420 nan 0.000 0.238 10 P C -1.448 175.497 177.300 -0.592 0.000 1.729 10 P CA 0.421 63.251 63.100 -0.450 0.000 1.055 10 P CB -0.314 31.040 31.700 -0.578 0.000 1.980 11 D N -0.262 119.849 120.400 -0.482 0.000 2.717 11 D HA 0.030 4.670 4.640 0.001 0.000 0.223 11 D C 0.277 176.350 176.300 -0.378 0.000 1.240 11 D CA -0.771 52.892 54.000 -0.563 0.000 0.801 11 D CB 0.167 40.772 40.800 -0.324 0.000 1.556 11 D HN 0.039 nan 8.370 nan 0.000 0.462 12 W N 1.155 122.394 121.300 -0.100 0.000 2.305 12 W HA -0.161 4.499 4.660 0.001 0.000 0.308 12 W C 2.365 178.852 176.519 -0.053 0.000 1.226 12 W CA 1.105 58.408 57.345 -0.070 0.000 1.253 12 W CB -0.183 29.256 29.460 -0.036 0.000 1.146 12 W HN 0.610 nan 8.180 nan 0.000 0.507 13 E N 0.397 120.691 120.200 0.158 0.000 2.049 13 E HA -0.290 4.061 4.350 0.001 0.000 0.198 13 E C 2.365 179.000 176.600 0.058 0.000 1.007 13 E CA 1.960 58.413 56.400 0.089 0.000 0.809 13 E CB -0.422 29.307 29.700 0.049 0.000 0.749 13 E HN 0.102 nan 8.360 nan 0.000 0.450 14 S N -0.157 115.559 115.700 0.027 0.000 2.356 14 S HA -0.127 4.344 4.470 0.001 0.000 0.223 14 S C 2.015 176.672 174.600 0.096 0.000 1.032 14 S CA 1.069 59.295 58.200 0.043 0.000 1.005 14 S CB -0.296 62.914 63.200 0.017 0.000 0.867 14 S HN 0.298 nan 8.310 nan 0.000 0.449 15 L N 1.229 122.466 121.223 0.023 0.000 2.187 15 L HA -0.075 4.266 4.340 0.001 0.000 0.213 15 L C 2.679 179.452 176.870 -0.160 0.000 1.100 15 L CA 1.502 56.263 54.840 -0.132 0.000 0.765 15 L CB -0.474 41.411 42.059 -0.289 0.000 0.904 15 L HN 0.358 nan 8.230 nan 0.000 0.437 16 R N 0.767 121.278 120.500 0.018 0.000 2.159 16 R HA -0.208 4.133 4.340 0.001 0.000 0.237 16 R C 1.910 178.245 176.300 0.058 0.000 1.131 16 R CA 1.407 57.557 56.100 0.082 0.000 0.982 16 R CB -0.161 30.177 30.300 0.063 0.000 0.868 16 R HN 0.413 nan 8.270 nan 0.000 0.453 17 E N -0.379 119.869 120.200 0.080 0.000 2.331 17 E HA -0.187 4.164 4.350 0.001 0.000 0.199 17 E C 0.077 176.736 176.600 0.098 0.000 1.008 17 E CA 0.464 56.920 56.400 0.095 0.000 0.843 17 E CB -0.160 29.622 29.700 0.136 0.000 0.761 17 E HN 0.396 nan 8.360 nan 0.000 0.507 18 H N 1.053 120.087 119.070 -0.061 0.000 2.562 18 H HA 0.142 4.699 4.556 0.001 0.000 0.314 18 H C -0.307 174.894 175.328 -0.211 0.000 1.079 18 H CA 0.233 56.104 56.048 -0.295 0.000 1.349 18 H CB 0.714 29.830 29.762 -1.078 0.000 1.432 18 H HN -0.030 nan 8.280 nan 0.000 0.479 19 T N 0.795 114.999 114.554 -0.583 0.000 2.883 19 T HA 0.234 4.585 4.350 0.001 0.000 0.284 19 T C -0.001 174.483 174.700 -0.360 0.000 1.041 19 T CA -0.938 60.973 62.100 -0.316 0.000 1.007 19 T CB 1.191 69.948 68.868 -0.185 0.000 1.220 19 T HN 0.349 nan 8.240 nan 0.000 0.552 20 V N 4.037 123.876 119.914 -0.126 0.000 2.584 20 V HA 0.230 4.351 4.120 0.001 0.000 0.303 20 V C -1.809 174.180 176.094 -0.175 0.000 1.035 20 V CA -1.183 61.071 62.300 -0.077 0.000 1.172 20 V CB -0.096 31.779 31.823 0.086 0.000 0.896 20 V HN 0.820 nan 8.190 nan 0.000 0.486 21 P HA 0.135 nan 4.420 nan 0.000 0.272 21 P C 0.335 177.486 177.300 -0.248 0.000 1.230 21 P CA -0.256 62.696 63.100 -0.247 0.000 0.788 21 P CB 0.743 32.316 31.700 -0.213 0.000 0.949 22 K N 1.213 121.553 120.400 -0.100 0.000 2.032 22 K HA -0.131 4.189 4.320 0.001 0.000 0.209 22 K C 2.142 178.737 176.600 -0.008 0.000 1.048 22 K CA 1.978 58.248 56.287 -0.028 0.000 0.927 22 K CB -0.488 32.041 32.500 0.049 0.000 0.712 22 K HN 0.689 nan 8.250 nan 0.000 0.441 23 W N 0.968 122.308 121.300 0.067 0.000 2.318 23 W HA -0.261 4.400 4.660 0.001 0.000 0.313 23 W C 1.712 178.258 176.519 0.045 0.000 1.221 23 W CA 0.646 58.028 57.345 0.061 0.000 1.266 23 W CB -1.208 28.296 29.460 0.074 0.000 1.150 23 W HN -0.031 nan 8.180 nan 0.000 0.496 24 F N 2.709 121.918 119.950 -1.235 0.000 2.102 24 F HA -0.209 4.318 4.527 0.001 0.000 0.298 24 F C 2.487 177.985 175.800 -0.503 0.000 1.105 24 F CA 2.567 59.805 58.000 -1.271 0.000 1.239 24 F CB -0.862 37.156 39.000 -1.637 0.000 0.991 24 F HN -0.208 nan 8.300 nan 0.000 0.474 25 D N 0.310 120.561 120.400 -0.249 0.000 2.144 25 D HA -0.181 4.459 4.640 0.001 0.000 0.199 25 D C 1.999 178.222 176.300 -0.128 0.000 0.984 25 D CA 1.301 55.209 54.000 -0.153 0.000 0.834 25 D CB -0.085 40.694 40.800 -0.035 0.000 0.955 25 D HN 0.331 nan 8.370 nan 0.000 0.465 26 K N -0.005 120.364 120.400 -0.052 0.000 2.217 26 K HA 0.055 4.375 4.320 0.001 0.000 0.202 26 K C 2.084 178.744 176.600 0.101 0.000 1.051 26 K CA 0.653 56.968 56.287 0.046 0.000 0.952 26 K CB 0.090 32.649 32.500 0.098 0.000 0.736 26 K HN 0.036 nan 8.250 nan 0.000 0.453 27 A N 1.846 124.697 122.820 0.053 0.000 1.877 27 A HA -0.235 4.086 4.320 0.001 0.000 0.216 27 A C 0.975 178.701 177.584 0.237 0.000 1.186 27 A CA 1.850 53.997 52.037 0.183 0.000 0.620 27 A CB -0.094 19.027 19.000 0.202 0.000 0.822 27 A HN 0.211 nan 8.150 nan 0.000 0.443 28 K N -3.542 116.869 120.400 0.019 0.000 3.518 28 K HA -0.253 4.068 4.320 0.001 0.000 0.287 28 K C 0.085 176.768 176.600 0.140 0.000 0.935 28 K CA 2.094 58.388 56.287 0.013 0.000 1.201 28 K CB -1.962 30.546 32.500 0.013 0.000 1.453 28 K HN 0.732 nan 8.250 nan 0.000 0.443 29 F N -0.135 119.840 119.950 0.042 0.000 2.573 29 F HA 0.537 5.065 4.527 0.001 0.000 0.316 29 F C -0.009 175.611 175.800 -0.299 0.000 1.148 29 F CA -0.243 57.715 58.000 -0.070 0.000 0.940 29 F CB 2.150 41.158 39.000 0.012 0.000 1.214 29 F HN 0.042 nan 8.300 nan 0.000 0.448 30 G N 5.898 114.124 108.800 -0.956 0.000 2.619 30 G HA2 0.621 4.581 3.960 0.001 0.000 0.296 30 G HA3 0.621 4.581 3.960 0.001 0.000 0.296 30 G C -2.019 172.209 174.900 -1.120 0.000 1.334 30 G CA -0.758 43.379 45.100 -1.605 0.000 0.934 30 G HN 0.426 nan 8.290 nan 0.000 0.476 31 I N 1.033 121.025 120.570 -0.964 0.000 2.377 31 I HA 0.443 4.614 4.170 0.001 0.000 0.293 31 I C -0.867 174.979 176.117 -0.451 0.000 0.987 31 I CA -1.234 59.626 61.300 -0.732 0.000 1.185 31 I CB 1.321 38.652 38.000 -1.116 0.000 1.341 31 I HN 0.200 nan 8.210 nan 0.000 0.455 32 F N 6.760 126.475 119.950 -0.393 0.000 2.422 32 F HA 0.581 5.109 4.527 0.001 0.000 0.333 32 F C 0.148 175.844 175.800 -0.174 0.000 1.095 32 F CA -1.467 56.395 58.000 -0.230 0.000 1.038 32 F CB 1.202 40.136 39.000 -0.109 0.000 1.156 32 F HN 0.166 nan 8.300 nan 0.000 0.483 33 I N 4.711 125.344 120.570 0.105 0.000 2.468 33 I HA 0.163 4.334 4.170 0.001 0.000 0.284 33 I C -1.330 174.791 176.117 0.007 0.000 1.038 33 I CA -0.695 60.619 61.300 0.023 0.000 1.083 33 I CB 1.621 39.648 38.000 0.046 0.000 1.223 33 I HN 0.407 nan 8.210 nan 0.000 0.443 34 H N 5.114 124.138 119.070 -0.076 0.000 2.685 34 H HA 0.342 4.899 4.556 0.001 0.000 0.286 34 H C -1.394 174.101 175.328 0.278 0.000 1.102 34 H CA -0.213 55.833 56.048 -0.003 0.000 1.254 34 H CB 0.735 30.430 29.762 -0.112 0.000 1.397 34 H HN 0.519 nan 8.280 nan 0.000 0.473 35 W N 3.598 124.932 121.300 0.057 0.000 2.900 35 W HA 0.604 5.265 4.660 0.001 0.000 0.336 35 W C -0.549 175.711 176.519 -0.430 0.000 1.064 35 W CA -0.725 56.565 57.345 -0.092 0.000 1.237 35 W CB 1.553 31.093 29.460 0.133 0.000 1.391 35 W HN 0.681 nan 8.180 nan 0.000 0.468 36 G N 3.778 111.845 108.800 -1.222 0.000 2.561 36 G HA2 0.218 4.179 3.960 0.001 0.000 0.310 36 G HA3 0.218 4.179 3.960 0.001 0.000 0.310 36 G C 0.224 173.880 174.900 -2.074 0.000 1.292 36 G CA -0.210 43.923 45.100 -1.612 0.000 0.811 36 G HN 0.937 nan 8.290 nan 0.000 0.482 37 I N -0.975 118.672 120.570 -1.539 0.000 2.916 37 I HA -0.014 4.157 4.170 0.001 0.000 0.267 37 I C 1.977 177.608 176.117 -0.811 0.000 1.263 37 I CA 1.236 61.801 61.300 -1.225 0.000 1.471 37 I CB -0.438 37.005 38.000 -0.927 0.000 1.089 37 I HN 0.546 nan 8.210 nan 0.000 0.468 38 Y N 0.421 120.477 120.300 -0.407 0.000 2.439 38 Y HA 0.130 4.681 4.550 0.001 0.000 0.292 38 Y C 2.441 178.127 175.900 -0.357 0.000 1.130 38 Y CA 0.576 58.524 58.100 -0.254 0.000 1.254 38 Y CB -1.330 37.151 38.460 0.034 0.000 1.000 38 Y HN 0.048 nan 8.280 nan 0.000 0.554 39 S N 0.406 115.818 115.700 -0.481 0.000 2.442 39 S HA -0.128 4.343 4.470 0.001 0.000 0.236 39 S C 1.997 176.518 174.600 -0.132 0.000 1.007 39 S CA 1.161 59.262 58.200 -0.165 0.000 0.965 39 S CB -0.527 62.570 63.200 -0.171 0.000 0.773 39 S HN 0.375 nan 8.310 nan 0.000 0.504 40 V N 3.023 122.697 119.914 -0.400 0.000 2.231 40 V HA -0.084 4.037 4.120 0.001 0.000 0.240 40 V C -0.342 175.540 176.094 -0.353 0.000 1.039 40 V CA 1.499 63.612 62.300 -0.312 0.000 0.998 40 V CB -1.809 29.801 31.823 -0.356 0.000 0.639 40 V HN 0.328 nan 8.190 nan 0.000 0.451 41 P HA -0.147 nan 4.420 nan 0.000 0.218 41 P C 1.227 178.487 177.300 -0.067 0.000 1.146 41 P CA 1.787 64.574 63.100 -0.520 0.000 0.813 41 P CB -0.443 30.480 31.700 -1.294 0.000 0.778 42 G N 0.014 108.762 108.800 -0.086 0.000 2.385 42 G HA2 -0.208 3.752 3.960 0.001 0.000 0.284 42 G HA3 -0.208 3.752 3.960 0.001 0.000 0.284 42 G C -0.683 174.166 174.900 -0.086 0.000 0.899 42 G CA 0.298 45.399 45.100 0.002 0.000 1.204 42 G HN 0.469 nan 8.290 nan 0.000 0.486 43 W N 0.177 121.392 121.300 -0.142 0.000 3.097 43 W HA 0.663 5.323 4.660 0.001 0.000 0.335 43 W C -0.415 176.048 176.519 -0.094 0.000 1.114 43 W CA -0.104 57.118 57.345 -0.204 0.000 1.231 43 W CB 1.550 30.776 29.460 -0.390 0.000 1.388 43 W HN 0.816 nan 8.180 nan 0.000 0.485 44 A N 2.354 124.615 122.820 -0.932 0.000 2.612 44 A HA 0.661 4.982 4.320 0.001 0.000 0.293 44 A C -0.564 176.261 177.584 -1.265 0.000 1.075 44 A CA -0.659 50.862 52.037 -0.859 0.000 0.680 44 A CB 1.106 19.876 19.000 -0.384 0.000 1.279 44 A HN 0.647 nan 8.150 nan 0.000 0.411 45 T N 0.948 114.935 114.554 -0.945 0.000 2.761 45 T HA 0.536 4.887 4.350 0.001 0.000 0.296 45 T C -2.312 172.058 174.700 -0.551 0.000 0.934 45 T CA -1.507 60.179 62.100 -0.691 0.000 1.091 45 T CB 0.765 69.398 68.868 -0.392 0.000 0.896 45 T HN 0.376 nan 8.240 nan 0.000 0.515 46 P HA 0.146 nan 4.420 nan 0.000 0.226 46 P C 0.809 177.883 177.300 -0.375 0.000 1.783 46 P CA -0.322 62.453 63.100 -0.541 0.000 0.980 46 P CB -0.196 30.964 31.700 -0.899 0.000 1.967 47 T N -0.299 114.047 114.554 -0.346 0.000 2.720 47 T HA 0.074 4.424 4.350 0.001 0.000 0.268 47 T C 1.143 175.748 174.700 -0.158 0.000 1.037 47 T CA 1.770 63.721 62.100 -0.248 0.000 1.144 47 T CB -0.281 68.407 68.868 -0.300 0.000 0.864 47 T HN 0.553 nan 8.240 nan 0.000 0.444 48 G N -0.168 108.533 108.800 -0.165 0.000 2.343 48 G HA2 0.335 4.296 3.960 0.001 0.000 0.289 48 G HA3 0.335 4.296 3.960 0.001 0.000 0.289 48 G C -2.089 172.775 174.900 -0.060 0.000 1.295 48 G CA -1.038 44.023 45.100 -0.066 0.000 0.869 48 G HN 0.216 nan 8.290 nan 0.000 0.522 49 E N -0.388 119.813 120.200 0.001 0.000 2.301 49 E HA 0.444 4.795 4.350 0.001 0.000 0.275 49 E C -0.016 176.622 176.600 0.064 0.000 1.030 49 E CA -0.660 55.709 56.400 -0.051 0.000 0.852 49 E CB 2.172 31.972 29.700 0.167 0.000 1.060 49 E HN 0.519 nan 8.360 nan 0.000 0.401 50 L N 2.426 123.599 121.223 -0.084 0.000 2.513 50 L HA 0.217 4.558 4.340 0.001 0.000 0.272 50 L C 1.041 177.930 176.870 0.032 0.000 1.187 50 L CA 1.650 56.350 54.840 -0.233 0.000 0.895 50 L CB -0.074 41.850 42.059 -0.226 0.000 1.147 50 L HN 0.791 nan 8.230 nan 0.000 0.483 51 G N 3.329 112.062 108.800 -0.112 0.000 2.238 51 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 51 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 51 G C 0.950 175.807 174.900 -0.072 0.000 0.996 51 G CA 0.300 45.392 45.100 -0.013 0.000 0.632 51 G HN 0.604 nan 8.290 nan 0.000 0.503 52 K N -0.356 120.017 120.400 -0.044 0.000 2.435 52 K HA 0.378 4.699 4.320 0.001 0.000 0.199 52 K C 0.667 177.256 176.600 -0.020 0.000 1.153 52 K CA 0.240 56.479 56.287 -0.080 0.000 0.974 52 K CB 1.580 34.022 32.500 -0.096 0.000 0.997 52 K HN 0.245 nan 8.250 nan 0.000 0.547 53 V N 5.646 125.580 119.914 0.034 0.000 2.530 53 V HA 0.117 4.238 4.120 0.001 0.000 0.282 53 V C -2.151 173.975 176.094 0.053 0.000 1.048 53 V CA -1.646 60.703 62.300 0.082 0.000 0.997 53 V CB 0.908 32.874 31.823 0.238 0.000 0.987 53 V HN 0.135 nan 8.190 nan 0.000 0.477 54 P HA 0.102 nan 4.420 nan 0.000 0.267 54 P C 0.561 177.906 177.300 0.074 0.000 1.209 54 P CA -0.250 62.873 63.100 0.040 0.000 0.763 54 P CB 0.693 32.419 31.700 0.043 0.000 0.816 55 M N 1.413 121.031 119.600 0.029 0.000 2.706 55 M HA -0.077 4.404 4.480 0.001 0.000 0.251 55 M C 0.530 176.954 176.300 0.207 0.000 1.070 55 M CA 1.164 56.489 55.300 0.041 0.000 1.073 55 M CB -1.172 31.408 32.600 -0.032 0.000 1.449 55 M HN 0.311 nan 8.290 nan 0.000 0.531 56 D N -0.304 120.243 120.400 0.246 0.000 2.349 56 D HA 0.187 4.827 4.640 0.001 0.000 0.215 56 D C 1.556 178.104 176.300 0.413 0.000 1.016 56 D CA 0.487 54.732 54.000 0.408 0.000 0.870 56 D CB 0.535 41.518 40.800 0.305 0.000 0.917 56 D HN 0.345 nan 8.370 nan 0.000 0.524 57 A N -0.476 122.520 122.820 0.293 0.000 2.141 57 A HA 0.031 4.352 4.320 0.001 0.000 0.201 57 A C 1.794 179.503 177.584 0.208 0.000 1.344 57 A CA -0.339 51.874 52.037 0.293 0.000 0.971 57 A CB -0.700 18.372 19.000 0.121 0.000 1.035 57 A HN 0.260 nan 8.150 nan 0.000 0.480 58 W N 1.013 122.219 121.300 -0.157 0.000 2.290 58 W HA -0.307 4.354 4.660 0.001 0.000 0.323 58 W C 1.141 177.279 176.519 -0.634 0.000 1.260 58 W CA 2.266 59.336 57.345 -0.457 0.000 1.266 58 W CB -0.697 28.358 29.460 -0.675 0.000 1.149 58 W HN 0.366 nan 8.180 nan 0.000 0.482 59 F N -0.810 119.016 119.950 -0.207 0.000 2.604 59 F HA -0.083 4.445 4.527 0.001 0.000 0.298 59 F C 1.941 177.414 175.800 -0.545 0.000 1.131 59 F CA 0.961 58.680 58.000 -0.467 0.000 1.457 59 F CB -0.945 37.745 39.000 -0.518 0.000 1.095 59 F HN -0.242 nan 8.300 nan 0.000 0.574 60 F N -0.623 119.256 119.950 -0.117 0.000 2.664 60 F HA 0.073 4.601 4.527 0.001 0.000 0.296 60 F C 0.851 176.577 175.800 -0.124 0.000 1.125 60 F CA 0.492 58.437 58.000 -0.092 0.000 1.444 60 F CB -0.044 38.911 39.000 -0.074 0.000 1.114 60 F HN -0.110 nan 8.300 nan 0.000 0.576 61 Q N 0.096 119.841 119.800 -0.091 0.000 2.632 61 Q HA 0.112 4.453 4.340 0.001 0.000 0.352 61 Q C -0.711 175.001 176.000 -0.481 0.000 0.821 61 Q CA -0.374 55.315 55.803 -0.189 0.000 1.060 61 Q CB 0.342 28.993 28.738 -0.144 0.000 1.429 61 Q HN -0.029 nan 8.270 nan 0.000 0.391 62 N N 3.048 121.405 118.700 -0.572 0.000 2.440 62 N HA 0.005 4.746 4.740 0.001 0.000 0.265 62 N C -1.540 173.544 175.510 -0.711 0.000 1.239 62 N CA -0.894 51.608 53.050 -0.914 0.000 0.909 62 N CB 0.981 39.121 38.487 -0.577 0.000 1.066 62 N HN 0.233 nan 8.380 nan 0.000 0.474 63 P HA -0.025 nan 4.420 nan 0.000 0.245 63 P C -0.353 176.860 177.300 -0.145 0.000 1.206 63 P CA 0.489 63.277 63.100 -0.519 0.000 0.781 63 P CB 0.175 31.555 31.700 -0.534 0.000 0.994 64 Y N 1.083 121.188 120.300 -0.325 0.000 2.585 64 Y HA 0.327 4.877 4.550 0.001 0.000 0.354 64 Y C 1.903 177.833 175.900 0.051 0.000 1.024 64 Y CA -1.450 56.633 58.100 -0.028 0.000 1.321 64 Y CB -0.219 38.297 38.460 0.094 0.000 1.151 64 Y HN -0.021 nan 8.280 nan 0.000 0.525 65 A N 3.068 125.967 122.820 0.133 0.000 2.015 65 A HA -0.129 4.192 4.320 0.001 0.000 0.219 65 A C 1.994 179.669 177.584 0.151 0.000 1.163 65 A CA 1.204 53.317 52.037 0.127 0.000 0.646 65 A CB -0.240 18.774 19.000 0.023 0.000 0.806 65 A HN 0.696 nan 8.150 nan 0.000 0.448 66 E N -1.143 119.026 120.200 -0.051 0.000 2.409 66 E HA -0.204 4.147 4.350 0.001 0.000 0.198 66 E C 0.744 177.257 176.600 -0.145 0.000 1.024 66 E CA 0.567 56.549 56.400 -0.698 0.000 0.861 66 E CB -0.486 28.364 29.700 -1.416 0.000 0.788 66 E HN 0.788 nan 8.360 nan 0.000 0.521 67 W N 0.538 121.909 121.300 0.119 0.000 3.388 67 W HA 0.195 4.856 4.660 0.001 0.000 0.324 67 W C 1.525 178.182 176.519 0.231 0.000 1.250 67 W CA -0.782 56.780 57.345 0.361 0.000 1.809 67 W CB -0.634 29.063 29.460 0.395 0.000 1.083 67 W HN 0.118 nan 8.180 nan 0.000 0.685 68 Y N 1.478 121.922 120.300 0.240 0.000 2.062 68 Y HA -0.405 4.146 4.550 0.001 0.000 0.276 68 Y C 2.521 178.425 175.900 0.006 0.000 1.189 68 Y CA 2.681 60.892 58.100 0.184 0.000 1.130 68 Y CB -0.284 38.335 38.460 0.266 0.000 0.959 68 Y HN 0.083 nan 8.280 nan 0.000 0.499 69 E N -0.254 119.916 120.200 -0.050 0.000 2.077 69 E HA -0.308 4.043 4.350 0.001 0.000 0.193 69 E C 2.018 178.326 176.600 -0.485 0.000 0.989 69 E CA 1.442 57.547 56.400 -0.492 0.000 0.800 69 E CB -0.366 28.735 29.700 -0.998 0.000 0.746 69 E HN 0.584 nan 8.360 nan 0.000 0.452 70 N N -0.253 118.026 118.700 -0.702 0.000 2.120 70 N HA -0.131 4.609 4.740 0.001 0.000 0.188 70 N C 1.781 177.114 175.510 -0.296 0.000 1.024 70 N CA 1.883 54.474 53.050 -0.764 0.000 0.852 70 N CB -0.026 37.991 38.487 -0.783 0.000 1.003 70 N HN -0.025 nan 8.380 nan 0.000 0.424 71 S N 0.029 115.654 115.700 -0.125 0.000 2.356 71 S HA -0.097 4.374 4.470 0.001 0.000 0.223 71 S C 1.707 176.253 174.600 -0.090 0.000 1.032 71 S CA 0.754 58.912 58.200 -0.071 0.000 1.005 71 S CB -0.475 62.707 63.200 -0.030 0.000 0.867 71 S HN 0.349 nan 8.310 nan 0.000 0.449 72 L N 2.241 123.351 121.223 -0.189 0.000 2.127 72 L HA -0.018 4.323 4.340 0.001 0.000 0.211 72 L C 1.897 178.784 176.870 0.028 0.000 1.089 72 L CA 1.639 56.408 54.840 -0.118 0.000 0.757 72 L CB -0.463 41.462 42.059 -0.223 0.000 0.899 72 L HN 0.138 nan 8.230 nan 0.000 0.434 73 R N -0.626 119.822 120.500 -0.087 0.000 2.323 73 R HA 0.144 4.485 4.340 0.001 0.000 0.198 73 R C 0.109 176.372 176.300 -0.062 0.000 0.988 73 R CA 0.204 56.259 56.100 -0.074 0.000 1.041 73 R CB -0.169 30.020 30.300 -0.185 0.000 0.926 73 R HN 0.333 nan 8.270 nan 0.000 0.476 74 I N 2.132 122.678 120.570 -0.041 0.000 2.310 74 I HA 0.114 4.285 4.170 0.001 0.000 0.287 74 I C 0.002 176.088 176.117 -0.051 0.000 1.073 74 I CA -0.484 60.793 61.300 -0.039 0.000 1.216 74 I CB 0.888 38.873 38.000 -0.026 0.000 1.415 74 I HN -0.133 nan 8.210 nan 0.000 0.480 75 K N 5.991 126.247 120.400 -0.239 0.000 2.511 75 K HA 0.004 4.324 4.320 0.001 0.000 0.280 75 K C -0.062 176.249 176.600 -0.482 0.000 1.008 75 K CA 0.520 56.372 56.287 -0.724 0.000 1.050 75 K CB 0.227 32.256 32.500 -0.786 0.000 0.889 75 K HN 0.514 nan 8.250 nan 0.000 0.484 76 E N 0.710 120.602 120.200 -0.513 0.000 3.702 76 E HA -0.208 4.142 4.350 0.001 0.000 0.159 76 E C -1.179 175.469 176.600 0.080 0.000 1.963 76 E CA 0.650 57.016 56.400 -0.057 0.000 0.824 76 E CB -0.879 28.717 29.700 -0.173 0.000 1.065 76 E HN 0.680 nan 8.360 nan 0.000 0.346 77 S N 0.644 116.474 115.700 0.217 0.000 2.567 77 S HA 0.540 5.011 4.470 0.001 0.000 0.270 77 S C -2.595 172.153 174.600 0.246 0.000 1.152 77 S CA -1.422 56.905 58.200 0.212 0.000 0.835 77 S CB 2.196 65.518 63.200 0.204 0.000 1.115 77 S HN -0.077 nan 8.310 nan 0.000 0.459 78 P HA -0.117 nan 4.420 nan 0.000 0.216 78 P C 1.485 178.926 177.300 0.236 0.000 1.157 78 P CA 2.210 65.493 63.100 0.305 0.000 0.880 78 P CB -0.335 31.618 31.700 0.421 0.000 0.791 79 T N -2.042 112.680 114.554 0.281 0.000 2.699 79 T HA -0.222 4.129 4.350 0.001 0.000 0.268 79 T C 1.414 176.119 174.700 0.008 0.000 1.036 79 T CA 1.429 63.571 62.100 0.070 0.000 1.147 79 T CB -1.058 67.773 68.868 -0.061 0.000 0.862 79 T HN 0.219 nan 8.240 nan 0.000 0.446 80 W N 2.161 123.446 121.300 -0.026 0.000 2.335 80 W HA -0.123 4.538 4.660 0.001 0.000 0.311 80 W C 2.345 178.887 176.519 0.038 0.000 1.213 80 W CA 1.243 58.598 57.345 0.017 0.000 1.274 80 W CB -0.212 29.257 29.460 0.015 0.000 1.148 80 W HN 0.086 nan 8.180 nan 0.000 0.498 81 E N -0.474 119.837 120.200 0.184 0.000 2.035 81 E HA -0.347 4.004 4.350 0.001 0.000 0.204 81 E C 1.968 178.448 176.600 -0.200 0.000 1.025 81 E CA 2.207 58.630 56.400 0.039 0.000 0.835 81 E CB -1.420 28.351 29.700 0.119 0.000 0.764 81 E HN 0.506 nan 8.360 nan 0.000 0.457 82 Y N 0.454 120.527 120.300 -0.378 0.000 2.181 82 Y HA -0.274 4.277 4.550 0.001 0.000 0.288 82 Y C 2.564 178.238 175.900 -0.377 0.000 1.146 82 Y CA 2.497 60.259 58.100 -0.563 0.000 1.164 82 Y CB -0.518 37.193 38.460 -1.249 0.000 0.982 82 Y HN 0.267 nan 8.280 nan 0.000 0.515 83 H N -0.764 118.168 119.070 -0.231 0.000 2.293 83 H HA -0.162 4.394 4.556 0.001 0.000 0.300 83 H C 2.200 177.366 175.328 -0.270 0.000 1.082 83 H CA 2.669 58.681 56.048 -0.059 0.000 1.308 83 H CB -0.612 29.167 29.762 0.028 0.000 1.375 83 H HN 0.192 nan 8.280 nan 0.000 0.495 84 V N 0.713 120.329 119.914 -0.496 0.000 2.392 84 V HA -0.250 3.870 4.120 0.001 0.000 0.249 84 V C 2.226 178.047 176.094 -0.455 0.000 1.059 84 V CA 2.287 64.267 62.300 -0.533 0.000 1.051 84 V CB -0.403 30.946 31.823 -0.790 0.000 0.658 84 V HN 0.418 nan 8.190 nan 0.000 0.455 85 K N -0.670 119.441 120.400 -0.481 0.000 2.228 85 K HA -0.056 4.264 4.320 0.001 0.000 0.202 85 K C 2.070 178.351 176.600 -0.531 0.000 1.051 85 K CA 1.529 57.559 56.287 -0.428 0.000 0.960 85 K CB -0.109 32.167 32.500 -0.373 0.000 0.743 85 K HN 0.493 nan 8.250 nan 0.000 0.458 86 T N -0.910 113.187 114.554 -0.761 0.000 3.021 86 T HA 0.030 4.381 4.350 0.001 0.000 0.245 86 T C 1.066 175.138 174.700 -1.047 0.000 1.028 86 T CA 0.790 62.302 62.100 -0.981 0.000 1.139 86 T CB 0.009 68.023 68.868 -1.422 0.000 0.884 86 T HN 0.174 nan 8.240 nan 0.000 0.457 87 Y N 0.723 120.635 120.300 -0.647 0.000 2.526 87 Y HA 0.490 5.041 4.550 0.001 0.000 0.265 87 Y C 1.443 177.087 175.900 -0.425 0.000 1.092 87 Y CA 0.038 57.718 58.100 -0.700 0.000 1.277 87 Y CB 0.655 38.293 38.460 -1.370 0.000 1.228 87 Y HN 0.369 nan 8.280 nan 0.000 0.507 88 G N 0.906 109.519 108.800 -0.312 0.000 2.663 88 G HA2 -0.201 3.759 3.960 0.001 0.000 0.686 88 G HA3 -0.201 3.759 3.960 0.001 0.000 0.686 88 G C 0.079 174.960 174.900 -0.032 0.000 1.288 88 G CA -0.184 44.828 45.100 -0.147 0.000 0.836 88 G HN 0.211 nan 8.290 nan 0.000 0.584 89 E N -0.278 119.924 120.200 0.004 0.000 2.158 89 E HA -0.093 4.257 4.350 0.001 0.000 0.191 89 E C 1.983 178.671 176.600 0.146 0.000 0.982 89 E CA 0.873 57.328 56.400 0.091 0.000 0.823 89 E CB 0.040 29.794 29.700 0.090 0.000 0.766 89 E HN 0.391 nan 8.360 nan 0.000 0.468 90 N N 0.059 118.827 118.700 0.113 0.000 2.535 90 N HA -0.085 4.655 4.740 0.001 0.000 0.203 90 N C -0.940 174.629 175.510 0.098 0.000 1.301 90 N CA 0.146 53.245 53.050 0.083 0.000 0.859 90 N CB -0.194 38.319 38.487 0.043 0.000 1.055 90 N HN -0.015 nan 8.380 nan 0.000 0.457 91 F N 1.069 121.045 119.950 0.043 0.000 2.363 91 F HA 0.323 4.851 4.527 0.001 0.000 0.366 91 F C -0.376 175.478 175.800 0.089 0.000 1.083 91 F CA -1.155 56.863 58.000 0.030 0.000 1.176 91 F CB 0.368 39.369 39.000 0.002 0.000 1.432 91 F HN -0.065 nan 8.300 nan 0.000 0.482 92 E N 3.018 123.237 120.200 0.031 0.000 2.415 92 E HA -0.078 4.273 4.350 0.001 0.000 0.262 92 E C 0.533 177.190 176.600 0.094 0.000 1.038 92 E CA 0.050 56.496 56.400 0.077 0.000 0.921 92 E CB 0.353 30.040 29.700 -0.021 0.000 0.950 92 E HN 0.668 nan 8.360 nan 0.000 0.438 93 Y N 2.170 122.515 120.300 0.074 0.000 2.151 93 Y HA -0.310 4.241 4.550 0.001 0.000 0.284 93 Y C 1.394 177.390 175.900 0.160 0.000 1.166 93 Y CA 2.289 60.497 58.100 0.179 0.000 1.163 93 Y CB -0.005 38.618 38.460 0.272 0.000 0.974 93 Y HN 0.572 nan 8.280 nan 0.000 0.511 94 E N 0.441 120.669 120.200 0.048 0.000 2.160 94 E HA -0.223 4.128 4.350 0.001 0.000 0.195 94 E C 2.050 178.600 176.600 -0.083 0.000 0.991 94 E CA 1.454 57.876 56.400 0.037 0.000 0.810 94 E CB -0.373 29.333 29.700 0.009 0.000 0.742 94 E HN 0.463 nan 8.360 nan 0.000 0.466 95 K N 0.036 120.277 120.400 -0.264 0.000 2.218 95 K HA -0.161 4.159 4.320 0.001 0.000 0.205 95 K C 1.440 177.876 176.600 -0.272 0.000 1.046 95 K CA 1.056 57.098 56.287 -0.408 0.000 0.933 95 K CB -0.264 31.668 32.500 -0.948 0.000 0.728 95 K HN 0.184 nan 8.250 nan 0.000 0.454 96 F N 0.285 120.158 119.950 -0.129 0.000 2.333 96 F HA -0.139 4.389 4.527 0.001 0.000 0.300 96 F C 2.279 177.910 175.800 -0.282 0.000 1.083 96 F CA 0.388 58.261 58.000 -0.211 0.000 1.395 96 F CB -0.068 38.665 39.000 -0.446 0.000 1.056 96 F HN 0.140 nan 8.300 nan 0.000 0.529 97 A N -0.291 122.431 122.820 -0.163 0.000 2.067 97 A HA -0.165 4.156 4.320 0.001 0.000 0.219 97 A C 1.761 179.286 177.584 -0.098 0.000 1.158 97 A CA 1.783 53.629 52.037 -0.319 0.000 0.661 97 A CB -0.445 18.396 19.000 -0.265 0.000 0.801 97 A HN 0.236 nan 8.150 nan 0.000 0.452 98 D N -0.284 120.094 120.400 -0.035 0.000 2.240 98 D HA 0.036 4.677 4.640 0.001 0.000 0.206 98 D C 1.752 178.064 176.300 0.020 0.000 0.963 98 D CA 0.594 54.587 54.000 -0.012 0.000 0.863 98 D CB -0.091 40.692 40.800 -0.028 0.000 0.973 98 D HN 0.435 nan 8.370 nan 0.000 0.501 99 L N 0.036 121.304 121.223 0.075 0.000 2.418 99 L HA 0.032 4.373 4.340 0.001 0.000 0.218 99 L C 0.740 177.697 176.870 0.146 0.000 1.125 99 L CA -0.054 54.867 54.840 0.134 0.000 0.835 99 L CB -0.059 42.148 42.059 0.245 0.000 0.953 99 L HN -0.081 nan 8.230 nan 0.000 0.454 100 F N 2.181 122.053 119.950 -0.130 0.000 2.651 100 F HA 0.066 4.593 4.527 0.001 0.000 0.347 100 F C 1.394 177.085 175.800 -0.182 0.000 1.284 100 F CA -0.622 57.242 58.000 -0.226 0.000 1.175 100 F CB -0.234 38.505 39.000 -0.435 0.000 1.542 100 F HN -0.071 nan 8.300 nan 0.000 0.661 101 T N 1.393 115.878 114.554 -0.115 0.000 3.069 101 T HA 0.351 4.702 4.350 0.001 0.000 0.252 101 T C 1.350 175.939 174.700 -0.185 0.000 1.053 101 T CA 0.273 62.262 62.100 -0.185 0.000 0.964 101 T CB -0.253 68.587 68.868 -0.047 0.000 1.005 101 T HN 0.949 nan 8.240 nan 0.000 0.532 102 A N 1.573 124.302 122.820 -0.152 0.000 2.744 102 A HA -0.298 4.022 4.320 0.001 0.000 0.300 102 A C 1.400 179.063 177.584 0.132 0.000 1.512 102 A CA 1.620 53.677 52.037 0.035 0.000 0.851 102 A CB -2.456 16.433 19.000 -0.185 0.000 0.987 102 A HN 0.724 nan 8.150 nan 0.000 0.507 103 E N 0.465 120.723 120.200 0.096 0.000 2.114 103 E HA -0.213 4.137 4.350 0.001 0.000 0.199 103 E C 1.535 178.203 176.600 0.113 0.000 1.008 103 E CA 2.122 58.574 56.400 0.087 0.000 0.810 103 E CB -0.051 29.693 29.700 0.073 0.000 0.739 103 E HN 0.664 nan 8.360 nan 0.000 0.456 104 K N -0.693 119.798 120.400 0.152 0.000 2.397 104 K HA 0.032 4.352 4.320 0.001 0.000 0.202 104 K C -0.451 176.244 176.600 0.160 0.000 1.022 104 K CA -0.294 56.071 56.287 0.129 0.000 1.141 104 K CB -0.121 32.450 32.500 0.118 0.000 0.857 104 K HN 0.181 nan 8.250 nan 0.000 0.514 105 W N 2.944 124.225 121.300 -0.033 0.000 2.253 105 W HA 0.024 4.685 4.660 0.001 0.000 0.322 105 W C -0.477 175.903 176.519 -0.232 0.000 1.342 105 W CA -0.044 57.203 57.345 -0.163 0.000 1.218 105 W CB 0.485 29.884 29.460 -0.102 0.000 1.205 105 W HN 0.026 nan 8.180 nan 0.000 0.551 106 D N 8.081 127.935 120.400 -0.910 0.000 2.336 106 D HA 0.262 4.903 4.640 0.001 0.000 0.248 106 D C -1.471 174.051 176.300 -1.297 0.000 1.326 106 D CA -1.996 51.453 54.000 -0.920 0.000 0.973 106 D CB 1.818 42.356 40.800 -0.437 0.000 1.255 106 D HN 0.093 nan 8.370 nan 0.000 0.558 107 P HA -0.228 nan 4.420 nan 0.000 0.218 107 P C 1.154 178.146 177.300 -0.512 0.000 1.146 107 P CA 1.141 63.526 63.100 -1.192 0.000 0.813 107 P CB 0.487 31.543 31.700 -1.073 0.000 0.778 108 Q N -0.083 119.459 119.800 -0.429 0.000 2.119 108 Q HA -0.141 4.200 4.340 0.001 0.000 0.201 108 Q C 2.319 178.197 176.000 -0.202 0.000 0.972 108 Q CA 1.158 56.817 55.803 -0.240 0.000 0.847 108 Q CB -0.279 28.341 28.738 -0.197 0.000 0.903 108 Q HN 0.427 nan 8.270 nan 0.000 0.433 109 E N -0.300 119.759 120.200 -0.234 0.000 2.085 109 E HA -0.211 4.140 4.350 0.001 0.000 0.194 109 E C 1.619 178.142 176.600 -0.128 0.000 0.994 109 E CA 0.972 57.282 56.400 -0.151 0.000 0.801 109 E CB -0.061 29.567 29.700 -0.121 0.000 0.743 109 E HN 0.406 nan 8.360 nan 0.000 0.453 110 W N 0.658 121.675 121.300 -0.472 0.000 2.355 110 W HA -0.097 4.564 4.660 0.001 0.000 0.309 110 W C 2.549 178.392 176.519 -1.128 0.000 1.206 110 W CA 1.185 58.043 57.345 -0.813 0.000 1.284 110 W CB -1.030 28.102 29.460 -0.547 0.000 1.145 110 W HN 0.076 nan 8.180 nan 0.000 0.502 111 A N -0.440 122.211 122.820 -0.282 0.000 1.972 111 A HA -0.241 4.080 4.320 0.001 0.000 0.219 111 A C 1.725 179.247 177.584 -0.105 0.000 1.169 111 A CA 2.224 54.202 52.037 -0.098 0.000 0.635 111 A CB -0.998 18.015 19.000 0.022 0.000 0.810 111 A HN 0.327 nan 8.150 nan 0.000 0.446 112 D N -0.706 119.610 120.400 -0.139 0.000 2.084 112 D HA -0.144 4.496 4.640 0.001 0.000 0.196 112 D C 1.807 178.055 176.300 -0.086 0.000 0.985 112 D CA 1.298 55.248 54.000 -0.084 0.000 0.826 112 D CB -0.181 40.570 40.800 -0.081 0.000 0.978 112 D HN 0.210 nan 8.370 nan 0.000 0.456 113 L N -0.020 121.092 121.223 -0.184 0.000 1.990 113 L HA -0.142 4.199 4.340 0.001 0.000 0.213 113 L C 2.053 178.935 176.870 0.020 0.000 1.072 113 L CA 1.811 56.567 54.840 -0.140 0.000 0.755 113 L CB -1.079 40.819 42.059 -0.268 0.000 0.889 113 L HN 0.230 nan 8.230 nan 0.000 0.432 114 F N -0.460 119.488 119.950 -0.002 0.000 2.234 114 F HA -0.187 4.341 4.527 0.001 0.000 0.299 114 F C 2.574 178.373 175.800 -0.002 0.000 1.087 114 F CA 1.031 59.012 58.000 -0.032 0.000 1.340 114 F CB -0.432 38.528 39.000 -0.066 0.000 1.031 114 F HN 0.134 nan 8.300 nan 0.000 0.500 115 K N 1.439 121.952 120.400 0.189 0.000 2.025 115 K HA -0.154 4.167 4.320 0.001 0.000 0.207 115 K C 1.916 178.592 176.600 0.126 0.000 1.049 115 K CA 1.205 57.568 56.287 0.127 0.000 0.933 115 K CB -0.056 32.490 32.500 0.076 0.000 0.714 115 K HN 0.129 nan 8.250 nan 0.000 0.438 116 K N 0.045 120.507 120.400 0.103 0.000 2.152 116 K HA -0.102 4.219 4.320 0.001 0.000 0.206 116 K C 1.893 178.587 176.600 0.157 0.000 1.048 116 K CA 1.219 57.566 56.287 0.101 0.000 0.933 116 K CB -0.091 32.448 32.500 0.065 0.000 0.721 116 K HN 0.204 nan 8.250 nan 0.000 0.447 117 A N 0.249 123.196 122.820 0.210 0.000 2.209 117 A HA 0.081 4.402 4.320 0.001 0.000 0.212 117 A C 1.473 179.326 177.584 0.448 0.000 1.158 117 A CA 1.104 53.321 52.037 0.299 0.000 0.742 117 A CB -0.458 18.748 19.000 0.343 0.000 0.790 117 A HN 0.451 nan 8.150 nan 0.000 0.472 118 G N -2.288 106.736 108.800 0.372 0.000 2.141 118 G HA2 0.090 4.050 3.960 0.001 0.000 0.242 118 G HA3 0.090 4.050 3.960 0.001 0.000 0.242 118 G C 0.381 175.635 174.900 0.590 0.000 0.982 118 G CA 0.309 45.693 45.100 0.474 0.000 0.662 118 G HN 1.596 nan 8.290 nan 0.000 0.527 119 A N -0.303 122.634 122.820 0.195 0.000 2.388 119 A HA 0.685 5.006 4.320 0.001 0.000 0.257 119 A C 1.195 178.731 177.584 -0.080 0.000 1.095 119 A CA 0.408 52.205 52.037 -0.400 0.000 0.791 119 A CB 0.491 18.980 19.000 -0.850 0.000 1.029 119 A HN 0.131 nan 8.150 nan 0.000 0.489 120 K N 0.447 120.838 120.400 -0.015 0.000 2.358 120 K HA 0.185 4.505 4.320 0.001 0.000 0.200 120 K C -0.761 175.982 176.600 0.238 0.000 1.030 120 K CA 0.517 56.886 56.287 0.136 0.000 1.097 120 K CB -0.131 32.503 32.500 0.222 0.000 0.862 120 K HN 0.796 nan 8.250 nan 0.000 0.534 121 Y N -3.578 116.709 120.300 -0.021 0.000 2.624 121 Y HA 0.634 5.185 4.550 0.001 0.000 0.334 121 Y C -1.003 174.854 175.900 -0.072 0.000 1.155 121 Y CA -1.527 56.584 58.100 0.018 0.000 1.046 121 Y CB 1.109 39.674 38.460 0.175 0.000 1.316 121 Y HN -0.318 nan 8.280 nan 0.000 0.457 122 V N 3.624 123.581 119.914 0.072 0.000 2.709 122 V HA 0.582 4.703 4.120 0.001 0.000 0.308 122 V C -0.718 175.352 176.094 -0.040 0.000 1.062 122 V CA -0.835 61.414 62.300 -0.085 0.000 0.901 122 V CB 1.949 33.822 31.823 0.084 0.000 1.003 122 V HN 0.733 nan 8.190 nan 0.000 0.425 123 I N 6.328 126.853 120.570 -0.074 0.000 2.503 123 I HA 0.393 4.564 4.170 0.001 0.000 0.282 123 I C -2.685 173.518 176.117 0.144 0.000 1.059 123 I CA -1.484 59.799 61.300 -0.028 0.000 1.081 123 I CB 2.727 40.744 38.000 0.028 0.000 1.210 123 I HN 0.436 nan 8.210 nan 0.000 0.450 124 P HA 0.218 nan 4.420 nan 0.000 0.282 124 P C -0.444 176.947 177.300 0.152 0.000 1.259 124 P CA -0.376 62.835 63.100 0.184 0.000 0.826 124 P CB 1.225 33.136 31.700 0.351 0.000 1.064 125 T N -1.835 112.720 114.554 0.002 0.000 2.738 125 T HA 0.157 4.508 4.350 0.001 0.000 0.293 125 T C 1.400 176.267 174.700 0.277 0.000 0.913 125 T CA -0.106 61.995 62.100 0.001 0.000 1.103 125 T CB -0.692 67.942 68.868 -0.389 0.000 0.880 125 T HN 0.512 nan 8.240 nan 0.000 0.526 126 T N -0.249 114.542 114.554 0.394 0.000 3.043 126 T HA 0.145 4.495 4.350 0.001 0.000 0.263 126 T C 0.547 175.594 174.700 0.579 0.000 1.094 126 T CA 0.193 62.559 62.100 0.445 0.000 1.127 126 T CB 0.026 69.068 68.868 0.291 0.000 0.905 126 T HN 0.659 nan 8.240 nan 0.000 0.490 127 K N 0.516 121.198 120.400 0.470 0.000 2.606 127 K HA 0.182 4.503 4.320 0.001 0.000 0.259 127 K C -1.639 175.071 176.600 0.184 0.000 1.001 127 K CA -0.599 55.874 56.287 0.310 0.000 0.881 127 K CB 1.436 34.094 32.500 0.262 0.000 1.288 127 K HN 0.282 nan 8.250 nan 0.000 0.452 128 H N 1.725 120.865 119.070 0.116 0.000 2.580 128 H HA 0.223 4.780 4.556 0.001 0.000 0.324 128 H C 0.867 176.090 175.328 -0.176 0.000 1.436 128 H CA 0.013 56.035 56.048 -0.043 0.000 1.464 128 H CB 1.045 30.751 29.762 -0.093 0.000 1.752 128 H HN 0.675 nan 8.280 nan 0.000 0.726 129 H N 0.260 118.991 119.070 -0.564 0.000 2.466 129 H HA -0.151 4.406 4.556 0.001 0.000 0.297 129 H C 1.282 175.935 175.328 -1.125 0.000 1.113 129 H CA 1.502 56.884 56.048 -1.110 0.000 1.273 129 H CB -0.365 28.232 29.762 -1.942 0.000 1.371 129 H HN 0.566 nan 8.280 nan 0.000 0.528 130 D N -0.851 119.400 120.400 -0.249 0.000 2.349 130 D HA 0.038 4.679 4.640 0.001 0.000 0.224 130 D C 1.736 178.326 176.300 0.484 0.000 1.029 130 D CA 0.779 54.953 54.000 0.291 0.000 0.879 130 D CB -0.418 40.790 40.800 0.680 0.000 0.906 130 D HN 0.393 nan 8.370 nan 0.000 0.528 131 G N -0.141 108.860 108.800 0.334 0.000 2.184 131 G HA2 -0.311 3.650 3.960 0.001 0.000 0.264 131 G HA3 -0.311 3.650 3.960 0.001 0.000 0.264 131 G C -0.040 175.170 174.900 0.516 0.000 0.975 131 G CA 0.156 45.529 45.100 0.455 0.000 0.642 131 G HN 0.449 nan 8.290 nan 0.000 0.536 132 F N 2.105 122.190 119.950 0.225 0.000 2.467 132 F HA 0.545 5.073 4.527 0.001 0.000 0.362 132 F C 0.859 176.610 175.800 -0.082 0.000 1.090 132 F CA -0.742 57.070 58.000 -0.315 0.000 1.202 132 F CB 0.470 39.105 39.000 -0.609 0.000 1.113 132 F HN 0.190 nan 8.300 nan 0.000 0.541 133 C N 7.570 126.357 119.300 -0.855 0.000 2.341 133 C HA 0.340 4.801 4.460 0.001 0.000 0.338 133 C C 0.894 175.538 174.990 -0.578 0.000 1.257 133 C CA -0.832 57.876 59.018 -0.517 0.000 1.883 133 C CB 0.611 27.900 27.740 -0.752 0.000 2.334 133 C HN 0.813 nan 8.230 nan 0.000 0.524 134 L N 2.548 123.779 121.223 0.014 0.000 2.688 134 L HA 0.241 4.582 4.340 0.001 0.000 0.234 134 L C 0.044 177.071 176.870 0.262 0.000 1.192 134 L CA 0.443 55.335 54.840 0.087 0.000 0.984 134 L CB -0.813 41.361 42.059 0.192 0.000 1.232 134 L HN 0.897 nan 8.230 nan 0.000 0.465 135 W N -3.169 118.115 121.300 -0.026 0.000 3.083 135 W HA 0.684 5.345 4.660 0.001 0.000 0.333 135 W C 0.531 177.072 176.519 0.036 0.000 1.217 135 W CA -1.560 55.825 57.345 0.068 0.000 1.170 135 W CB 0.691 30.285 29.460 0.223 0.000 1.437 135 W HN -0.164 nan 8.180 nan 0.000 0.557 136 G N 2.194 111.063 108.800 0.114 0.000 3.197 136 G HA2 0.270 4.230 3.960 0.001 0.000 0.257 136 G HA3 0.270 4.230 3.960 0.001 0.000 0.257 136 G C 0.113 174.871 174.900 -0.238 0.000 0.835 136 G CA 0.078 45.116 45.100 -0.103 0.000 2.001 136 G HN 0.636 nan 8.290 nan 0.000 0.625 137 T N 0.127 114.212 114.554 -0.782 0.000 2.855 137 T HA 0.103 4.454 4.350 0.001 0.000 0.322 137 T C 1.578 176.094 174.700 -0.306 0.000 1.088 137 T CA 0.048 61.812 62.100 -0.560 0.000 1.104 137 T CB 0.409 68.751 68.868 -0.877 0.000 0.996 137 T HN 0.552 nan 8.240 nan 0.000 0.549 138 K N 2.747 122.919 120.400 -0.379 0.000 2.437 138 K HA 0.087 4.408 4.320 0.001 0.000 0.205 138 K C 0.007 176.342 176.600 -0.441 0.000 1.026 138 K CA 0.186 56.216 56.287 -0.428 0.000 1.153 138 K CB 0.142 32.366 32.500 -0.460 0.000 0.863 138 K HN 0.723 nan 8.250 nan 0.000 0.502 139 Y N 0.658 121.004 120.300 0.077 0.000 2.584 139 Y HA 0.212 4.762 4.550 0.001 0.000 0.254 139 Y C 0.321 176.382 175.900 0.268 0.000 1.177 139 Y CA -0.590 57.633 58.100 0.205 0.000 1.216 139 Y CB 1.510 40.147 38.460 0.293 0.000 1.172 139 Y HN 0.055 nan 8.280 nan 0.000 0.529 140 T N -0.970 113.714 114.554 0.217 0.000 2.907 140 T HA 0.119 4.470 4.350 0.001 0.000 0.344 140 T C -1.065 173.666 174.700 0.052 0.000 1.675 140 T CA -0.572 61.631 62.100 0.171 0.000 1.076 140 T CB 1.018 70.060 68.868 0.289 0.000 1.483 140 T HN -0.026 nan 8.240 nan 0.000 0.487 141 D N 1.506 121.953 120.400 0.079 0.000 2.369 141 D HA 0.193 4.833 4.640 0.001 0.000 0.211 141 D C 0.084 176.468 176.300 0.140 0.000 1.077 141 D CA 0.110 54.146 54.000 0.060 0.000 0.842 141 D CB 0.114 40.948 40.800 0.056 0.000 0.947 141 D HN 0.347 nan 8.370 nan 0.000 0.509 142 F N 2.991 122.928 119.950 -0.022 0.000 2.606 142 F HA 0.226 4.754 4.527 0.001 0.000 0.347 142 F C -0.099 175.528 175.800 -0.287 0.000 1.207 142 F CA -1.015 57.012 58.000 0.045 0.000 1.306 142 F CB -0.865 38.213 39.000 0.130 0.000 1.657 142 F HN -0.169 nan 8.300 nan 0.000 0.606 143 N N -1.626 116.812 118.700 -0.436 0.000 2.571 143 N HA 0.246 4.986 4.740 0.001 0.000 0.273 143 N C 0.388 175.577 175.510 -0.536 0.000 1.340 143 N CA -0.232 52.315 53.050 -0.839 0.000 0.789 143 N CB 0.939 39.091 38.487 -0.559 0.000 1.514 143 N HN -0.083 nan 8.380 nan 0.000 0.499 144 S N -0.834 114.570 115.700 -0.493 0.000 2.474 144 S HA -0.089 4.382 4.470 0.001 0.000 0.235 144 S C 1.316 175.854 174.600 -0.103 0.000 0.997 144 S CA 0.792 58.920 58.200 -0.119 0.000 0.949 144 S CB -0.548 62.560 63.200 -0.153 0.000 0.766 144 S HN 0.366 nan 8.310 nan 0.000 0.517 145 V N 1.449 121.296 119.914 -0.113 0.000 2.407 145 V HA 0.020 4.141 4.120 0.001 0.000 0.245 145 V C 2.488 178.556 176.094 -0.044 0.000 1.041 145 V CA 1.410 63.672 62.300 -0.064 0.000 1.040 145 V CB -0.374 31.418 31.823 -0.052 0.000 0.671 145 V HN 0.371 nan 8.190 nan 0.000 0.455 146 K N -0.361 120.014 120.400 -0.042 0.000 2.314 146 K HA 0.177 4.497 4.320 0.001 0.000 0.198 146 K C 0.975 177.592 176.600 0.028 0.000 1.045 146 K CA 0.453 56.737 56.287 -0.005 0.000 0.988 146 K CB 0.110 32.614 32.500 0.006 0.000 0.783 146 K HN 0.313 nan 8.250 nan 0.000 0.484 147 R N -1.068 119.467 120.500 0.057 0.000 2.960 147 R HA 0.388 4.729 4.340 0.001 0.000 0.249 147 R C 1.158 177.471 176.300 0.023 0.000 1.192 147 R CA -0.106 56.046 56.100 0.087 0.000 1.035 147 R CB -0.129 30.299 30.300 0.214 0.000 1.234 147 R HN 0.141 nan 8.270 nan 0.000 0.493 148 G N 1.779 110.565 108.800 -0.023 0.000 2.860 148 G HA2 -0.349 3.612 3.960 0.001 0.000 0.347 148 G HA3 -0.349 3.612 3.960 0.001 0.000 0.347 148 G C -1.301 173.470 174.900 -0.215 0.000 1.146 148 G CA 1.212 46.236 45.100 -0.126 0.000 1.064 148 G HN 0.491 nan 8.290 nan 0.000 0.857 149 P HA 0.056 nan 4.420 nan 0.000 0.221 149 P C 0.572 177.762 177.300 -0.183 0.000 1.145 149 P CA 1.488 64.363 63.100 -0.376 0.000 0.795 149 P CB 0.036 31.371 31.700 -0.608 0.000 0.775 150 K N -0.604 119.719 120.400 -0.128 0.000 3.257 150 K HA -0.192 4.129 4.320 0.001 0.000 0.270 150 K C 0.047 176.618 176.600 -0.049 0.000 0.984 150 K CA 0.902 57.150 56.287 -0.065 0.000 0.739 150 K CB -1.677 30.797 32.500 -0.043 0.000 1.351 150 K HN 0.427 nan 8.250 nan 0.000 0.463 151 R N 0.250 120.713 120.500 -0.062 0.000 2.664 151 R HA 0.112 4.453 4.340 0.001 0.000 0.260 151 R C -1.710 174.589 176.300 -0.002 0.000 1.062 151 R CA -0.686 55.407 56.100 -0.011 0.000 0.902 151 R CB 1.040 31.346 30.300 0.009 0.000 1.258 151 R HN 0.011 nan 8.270 nan 0.000 0.465 152 D N 4.844 125.288 120.400 0.073 0.000 2.508 152 D HA 0.126 4.767 4.640 0.001 0.000 0.224 152 D C 1.199 177.581 176.300 0.136 0.000 1.171 152 D CA -0.110 53.966 54.000 0.127 0.000 1.006 152 D CB 0.370 41.286 40.800 0.193 0.000 1.073 152 D HN 0.538 nan 8.370 nan 0.000 0.513 153 L N 2.249 123.499 121.223 0.045 0.000 1.990 153 L HA -0.229 4.112 4.340 0.001 0.000 0.213 153 L C 2.373 179.358 176.870 0.191 0.000 1.072 153 L CA 0.813 55.655 54.840 0.004 0.000 0.755 153 L CB -0.614 41.318 42.059 -0.211 0.000 0.889 153 L HN 0.271 nan 8.230 nan 0.000 0.432 154 V N 0.543 120.547 119.914 0.150 0.000 2.255 154 V HA -0.261 3.860 4.120 0.001 0.000 0.247 154 V C 2.668 178.600 176.094 -0.270 0.000 1.051 154 V CA 2.242 64.561 62.300 0.031 0.000 1.018 154 V CB -1.473 30.297 31.823 -0.090 0.000 0.641 154 V HN 0.591 nan 8.190 nan 0.000 0.445 155 G N -0.612 108.012 108.800 -0.293 0.000 2.418 155 G HA2 -0.254 3.707 3.960 0.001 0.000 0.217 155 G HA3 -0.254 3.707 3.960 0.001 0.000 0.217 155 G C 1.231 176.101 174.900 -0.049 0.000 1.158 155 G CA 1.058 46.051 45.100 -0.178 0.000 0.771 155 G HN 0.507 nan 8.290 nan 0.000 0.545 156 D N -0.111 120.345 120.400 0.092 0.000 2.144 156 D HA -0.083 4.558 4.640 0.001 0.000 0.199 156 D C 2.301 178.652 176.300 0.085 0.000 0.984 156 D CA 0.482 54.553 54.000 0.118 0.000 0.834 156 D CB -0.207 40.754 40.800 0.269 0.000 0.955 156 D HN 0.266 nan 8.370 nan 0.000 0.465 157 L N 0.144 121.497 121.223 0.215 0.000 2.240 157 L HA 0.122 4.463 4.340 0.001 0.000 0.211 157 L C 1.934 178.777 176.870 -0.045 0.000 1.106 157 L CA 1.140 56.123 54.840 0.238 0.000 0.793 157 L CB -0.432 41.971 42.059 0.573 0.000 0.927 157 L HN -0.047 nan 8.230 nan 0.000 0.446 158 A N -0.497 122.038 122.820 -0.474 0.000 1.930 158 A HA -0.210 4.111 4.320 0.001 0.000 0.217 158 A C 2.428 179.780 177.584 -0.388 0.000 1.175 158 A CA 1.722 53.138 52.037 -1.034 0.000 0.627 158 A CB -0.509 17.605 19.000 -1.476 0.000 0.815 158 A HN 0.477 nan 8.150 nan 0.000 0.443 159 K N -0.238 120.035 120.400 -0.211 0.000 2.025 159 K HA -0.058 4.263 4.320 0.001 0.000 0.207 159 K C 2.187 178.742 176.600 -0.075 0.000 1.049 159 K CA 1.153 57.378 56.287 -0.104 0.000 0.933 159 K CB -0.327 32.134 32.500 -0.065 0.000 0.714 159 K HN 0.344 nan 8.250 nan 0.000 0.438 160 A N 0.777 123.553 122.820 -0.073 0.000 1.858 160 A HA -0.126 4.195 4.320 0.001 0.000 0.216 160 A C 2.264 179.854 177.584 0.009 0.000 1.190 160 A CA 1.782 53.787 52.037 -0.054 0.000 0.617 160 A CB -0.860 18.087 19.000 -0.089 0.000 0.827 160 A HN 0.168 nan 8.150 nan 0.000 0.443 161 V N -0.072 119.887 119.914 0.076 0.000 2.287 161 V HA -0.299 3.821 4.120 0.001 0.000 0.248 161 V C 2.665 178.818 176.094 0.098 0.000 1.053 161 V CA 2.451 64.847 62.300 0.161 0.000 1.027 161 V CB -0.820 31.198 31.823 0.327 0.000 0.646 161 V HN 0.528 nan 8.190 nan 0.000 0.447 162 R N -0.561 119.966 120.500 0.046 0.000 2.148 162 R HA -0.124 4.217 4.340 0.001 0.000 0.227 162 R C 2.265 178.570 176.300 0.007 0.000 1.103 162 R CA 1.189 57.304 56.100 0.025 0.000 0.983 162 R CB -0.174 30.122 30.300 -0.006 0.000 0.874 162 R HN 0.606 nan 8.270 nan 0.000 0.451 163 E N -0.085 120.112 120.200 -0.004 0.000 2.208 163 E HA -0.085 4.265 4.350 0.001 0.000 0.193 163 E C 1.525 178.123 176.600 -0.004 0.000 0.988 163 E CA 0.894 57.287 56.400 -0.012 0.000 0.828 163 E CB 0.129 29.812 29.700 -0.028 0.000 0.763 163 E HN 0.332 nan 8.360 nan 0.000 0.478 164 A N -0.142 122.685 122.820 0.011 0.000 2.208 164 A HA 0.220 4.541 4.320 0.001 0.000 0.209 164 A C 1.688 179.286 177.584 0.024 0.000 1.161 164 A CA 0.869 52.917 52.037 0.019 0.000 0.782 164 A CB -0.203 18.820 19.000 0.038 0.000 0.816 164 A HN 0.334 nan 8.150 nan 0.000 0.477 165 G N -1.490 107.323 108.800 0.022 0.000 2.157 165 G HA2 -0.187 3.774 3.960 0.001 0.000 0.248 165 G HA3 -0.187 3.774 3.960 0.001 0.000 0.248 165 G C 0.080 174.994 174.900 0.023 0.000 0.979 165 G CA 0.281 45.390 45.100 0.014 0.000 0.650 165 G HN 0.403 nan 8.290 nan 0.000 0.529 166 L N 0.177 121.434 121.223 0.056 0.000 2.399 166 L HA 0.613 4.954 4.340 0.001 0.000 0.265 166 L C 1.090 178.001 176.870 0.068 0.000 1.089 166 L CA -1.107 53.779 54.840 0.077 0.000 0.802 166 L CB 0.642 42.780 42.059 0.131 0.000 1.180 166 L HN 0.003 nan 8.230 nan 0.000 0.454 167 R N 0.798 121.318 120.500 0.034 0.000 2.531 167 R HA 0.349 4.690 4.340 0.001 0.000 0.273 167 R C -0.996 175.418 176.300 0.190 0.000 1.070 167 R CA -0.296 55.766 56.100 -0.063 0.000 1.112 167 R CB 1.004 31.010 30.300 -0.490 0.000 1.049 167 R HN 0.345 nan 8.270 nan 0.000 0.508 168 F N 0.047 120.030 119.950 0.055 0.000 2.493 168 F HA 0.562 5.090 4.527 0.001 0.000 0.329 168 F C -0.046 175.887 175.800 0.221 0.000 1.126 168 F CA -0.352 57.738 58.000 0.150 0.000 0.937 168 F CB 1.757 40.830 39.000 0.122 0.000 1.146 168 F HN 0.555 nan 8.300 nan 0.000 0.442 169 G N 3.205 111.720 108.800 -0.474 0.000 2.788 169 G HA2 0.668 4.629 3.960 0.001 0.000 0.293 169 G HA3 0.668 4.629 3.960 0.001 0.000 0.293 169 G C -1.757 172.857 174.900 -0.477 0.000 1.305 169 G CA -0.641 44.339 45.100 -0.199 0.000 1.005 169 G HN 1.095 nan 8.290 nan 0.000 0.496 170 V N -2.443 117.448 119.914 -0.038 0.000 2.841 170 V HA 0.733 4.854 4.120 0.001 0.000 0.310 170 V C -1.398 174.863 176.094 0.279 0.000 1.090 170 V CA -1.260 61.074 62.300 0.056 0.000 0.930 170 V CB 1.270 33.144 31.823 0.085 0.000 1.014 170 V HN 0.868 nan 8.190 nan 0.000 0.425 171 Y N 4.627 125.045 120.300 0.196 0.000 2.360 171 Y HA 0.784 5.335 4.550 0.001 0.000 0.337 171 Y C -1.404 174.660 175.900 0.273 0.000 1.039 171 Y CA -0.838 57.425 58.100 0.272 0.000 1.109 171 Y CB 1.882 40.405 38.460 0.106 0.000 1.201 171 Y HN 0.879 nan 8.280 nan 0.000 0.458 172 Y N 3.972 124.026 120.300 -0.410 0.000 2.433 172 Y HA 0.312 4.863 4.550 0.001 0.000 0.337 172 Y C -0.841 174.828 175.900 -0.384 0.000 1.026 172 Y CA -0.943 57.057 58.100 -0.168 0.000 1.037 172 Y CB 2.017 40.484 38.460 0.012 0.000 1.245 172 Y HN 0.583 nan 8.280 nan 0.000 0.443 173 S N 4.091 119.394 115.700 -0.662 0.000 3.483 173 S HA 0.248 4.718 4.470 0.001 0.000 0.274 173 S C 1.113 175.465 174.600 -0.413 0.000 1.289 173 S CA 0.445 58.393 58.200 -0.420 0.000 0.938 173 S CB -0.643 62.414 63.200 -0.238 0.000 1.453 173 S HN 1.048 nan 8.310 nan 0.000 0.494 174 G N 2.835 111.575 108.800 -0.101 0.000 2.403 174 G HA2 -0.022 3.939 3.960 0.001 0.000 0.216 174 G HA3 -0.022 3.939 3.960 0.001 0.000 0.216 174 G C 1.307 176.198 174.900 -0.014 0.000 1.154 174 G CA 0.512 45.646 45.100 0.058 0.000 0.784 174 G HN 0.711 nan 8.290 nan 0.000 0.538 175 G N -0.347 108.437 108.800 -0.026 0.000 2.534 175 G HA2 0.274 4.235 3.960 0.001 0.000 0.217 175 G HA3 0.274 4.235 3.960 0.001 0.000 0.217 175 G C 0.424 175.213 174.900 -0.184 0.000 1.128 175 G CA 0.147 45.211 45.100 -0.060 0.000 0.784 175 G HN 0.369 nan 8.290 nan 0.000 0.542 176 L N -0.147 120.916 121.223 -0.267 0.000 2.422 176 L HA 0.506 4.847 4.340 0.001 0.000 0.264 176 L C -1.821 174.786 176.870 -0.438 0.000 0.984 176 L CA -0.896 53.684 54.840 -0.432 0.000 0.819 176 L CB 2.914 44.558 42.059 -0.692 0.000 1.330 176 L HN -0.155 nan 8.230 nan 0.000 0.410 177 D N 1.615 121.741 120.400 -0.455 0.000 2.470 177 D HA 0.154 4.794 4.640 0.001 0.000 0.233 177 D C -0.184 176.117 176.300 0.002 0.000 1.372 177 D CA -0.342 53.529 54.000 -0.216 0.000 0.994 177 D CB 1.152 41.965 40.800 0.021 0.000 1.377 177 D HN 0.375 nan 8.370 nan 0.000 0.586 178 W N 2.826 124.172 121.300 0.076 0.000 2.961 178 W HA 0.083 4.743 4.660 0.001 0.000 0.240 178 W C 1.538 178.097 176.519 0.067 0.000 1.305 178 W CA -0.216 57.147 57.345 0.030 0.000 1.465 178 W CB -0.267 29.180 29.460 -0.022 0.000 1.135 178 W HN 0.317 nan 8.180 nan 0.000 0.688 179 R N -0.371 120.319 120.500 0.317 0.000 2.299 179 R HA 0.001 4.342 4.340 0.001 0.000 0.197 179 R C 0.559 176.779 176.300 -0.134 0.000 0.971 179 R CA 0.617 56.753 56.100 0.059 0.000 1.030 179 R CB -0.588 29.710 30.300 -0.003 0.000 0.932 179 R HN 0.185 nan 8.270 nan 0.000 0.477 180 F N -0.219 119.721 119.950 -0.017 0.000 2.688 180 F HA 0.144 4.671 4.527 0.001 0.000 0.310 180 F C 0.817 176.587 175.800 -0.050 0.000 1.098 180 F CA -0.284 57.678 58.000 -0.064 0.000 1.228 180 F CB 0.569 39.479 39.000 -0.150 0.000 1.042 180 F HN -0.212 nan 8.300 nan 0.000 0.557 181 T N -4.142 110.501 114.554 0.148 0.000 2.883 181 T HA 0.494 4.845 4.350 0.001 0.000 0.296 181 T C 0.618 175.337 174.700 0.031 0.000 1.117 181 T CA 0.084 62.230 62.100 0.077 0.000 1.006 181 T CB 2.141 71.052 68.868 0.071 0.000 1.191 181 T HN 0.002 nan 8.240 nan 0.000 0.508 182 T N -2.425 112.125 114.554 -0.008 0.000 3.058 182 T HA 0.295 4.646 4.350 0.001 0.000 0.247 182 T C 0.450 175.105 174.700 -0.075 0.000 0.987 182 T CA 0.022 62.102 62.100 -0.033 0.000 1.062 182 T CB -0.229 68.628 68.868 -0.018 0.000 1.048 182 T HN 0.588 nan 8.240 nan 0.000 0.468 183 E N 4.378 124.538 120.200 -0.068 0.000 2.338 183 E HA 0.374 4.725 4.350 0.001 0.000 0.272 183 E C -2.303 174.187 176.600 -0.182 0.000 1.029 183 E CA -2.297 54.048 56.400 -0.091 0.000 0.872 183 E CB 0.815 30.494 29.700 -0.036 0.000 1.015 183 E HN 0.323 nan 8.360 nan 0.000 0.417 184 P HA 0.161 nan 4.420 nan 0.000 0.276 184 P C -0.445 176.661 177.300 -0.323 0.000 1.261 184 P CA -0.480 62.411 63.100 -0.349 0.000 0.800 184 P CB 0.770 32.281 31.700 -0.315 0.000 1.066 185 I N 2.410 122.742 120.570 -0.396 0.000 2.379 185 I HA 0.169 4.340 4.170 0.001 0.000 0.290 185 I C 1.797 177.533 176.117 -0.634 0.000 1.063 185 I CA 0.225 61.226 61.300 -0.498 0.000 1.351 185 I CB 0.234 37.900 38.000 -0.557 0.000 1.410 185 I HN 0.455 nan 8.210 nan 0.000 0.505 186 R N 4.219 124.406 120.500 -0.521 0.000 2.250 186 R HA 0.186 4.527 4.340 0.001 0.000 0.194 186 R C -0.532 175.269 176.300 -0.832 0.000 0.927 186 R CA 0.441 56.119 56.100 -0.702 0.000 1.052 186 R CB 0.633 30.666 30.300 -0.444 0.000 1.055 186 R HN 0.451 nan 8.270 nan 0.000 0.537 187 Y N -1.321 118.912 120.300 -0.111 0.000 2.581 187 Y HA 0.276 4.827 4.550 0.001 0.000 0.345 187 Y C -1.915 174.018 175.900 0.055 0.000 1.036 187 Y CA -2.625 55.555 58.100 0.133 0.000 1.042 187 Y CB 1.835 40.382 38.460 0.145 0.000 1.289 187 Y HN -0.194 nan 8.280 nan 0.000 0.471 188 P HA -0.150 nan 4.420 nan 0.000 0.218 188 P C 0.658 178.033 177.300 0.125 0.000 1.148 188 P CA 1.636 64.892 63.100 0.261 0.000 0.822 188 P CB 0.393 32.235 31.700 0.237 0.000 0.784 189 E N -0.364 119.930 120.200 0.157 0.000 2.160 189 E HA -0.192 4.159 4.350 0.001 0.000 0.195 189 E C 1.630 178.257 176.600 0.045 0.000 0.991 189 E CA 1.189 57.662 56.400 0.122 0.000 0.810 189 E CB -1.054 28.740 29.700 0.157 0.000 0.742 189 E HN 0.334 nan 8.360 nan 0.000 0.466 190 D N 0.168 120.538 120.400 -0.049 0.000 2.221 190 D HA -0.148 4.493 4.640 0.001 0.000 0.204 190 D C 1.783 177.767 176.300 -0.527 0.000 0.982 190 D CA 0.680 54.420 54.000 -0.433 0.000 0.857 190 D CB -0.144 40.452 40.800 -0.341 0.000 0.934 190 D HN 0.247 nan 8.370 nan 0.000 0.475 191 L N 1.097 122.173 121.223 -0.245 0.000 2.265 191 L HA -0.150 4.190 4.340 0.001 0.000 0.215 191 L C 2.402 179.199 176.870 -0.122 0.000 1.117 191 L CA 1.056 55.801 54.840 -0.158 0.000 0.782 191 L CB -0.431 41.604 42.059 -0.039 0.000 0.914 191 L HN 0.066 nan 8.230 nan 0.000 0.441 192 S N -0.774 114.874 115.700 -0.087 0.000 2.489 192 S HA -0.135 4.336 4.470 0.001 0.000 0.228 192 S C 1.481 176.115 174.600 0.057 0.000 0.995 192 S CA 0.663 58.872 58.200 0.014 0.000 0.934 192 S CB -0.203 63.050 63.200 0.089 0.000 0.771 192 S HN 0.672 nan 8.310 nan 0.000 0.522 193 Y N -0.726 119.571 120.300 -0.006 0.000 2.437 193 Y HA 0.561 5.112 4.550 0.001 0.000 0.266 193 Y C 0.361 176.248 175.900 -0.023 0.000 1.077 193 Y CA -1.172 56.920 58.100 -0.013 0.000 1.235 193 Y CB 0.141 38.597 38.460 -0.007 0.000 1.303 193 Y HN 0.107 nan 8.280 nan 0.000 0.536 194 I N 4.595 124.873 120.570 -0.487 0.000 2.224 194 I HA 0.333 4.504 4.170 0.001 0.000 0.293 194 I C -0.427 175.592 176.117 -0.162 0.000 1.155 194 I CA -0.029 61.102 61.300 -0.283 0.000 1.297 194 I CB -0.241 37.532 38.000 -0.379 0.000 1.487 194 I HN 0.154 nan 8.210 nan 0.000 0.564 195 R N 4.219 124.651 120.500 -0.114 0.000 2.817 195 R HA 0.401 4.742 4.340 0.001 0.000 0.268 195 R C -2.118 174.080 176.300 -0.171 0.000 1.027 195 R CA -1.743 54.264 56.100 -0.155 0.000 0.928 195 R CB 0.629 30.843 30.300 -0.143 0.000 1.228 195 R HN -0.070 nan 8.270 nan 0.000 0.469 196 P HA -0.148 nan 4.420 nan 0.000 0.214 196 P C -0.082 177.139 177.300 -0.132 0.000 1.163 196 P CA 1.408 64.302 63.100 -0.343 0.000 0.889 196 P CB 0.261 31.338 31.700 -1.038 0.000 0.790 197 N N -3.891 114.732 118.700 -0.129 0.000 2.961 197 N HA -0.127 4.614 4.740 0.001 0.000 0.223 197 N C 0.187 175.633 175.510 -0.106 0.000 0.866 197 N CA 1.848 54.847 53.050 -0.085 0.000 1.030 197 N CB -2.199 36.261 38.487 -0.046 0.000 1.037 197 N HN 0.381 nan 8.380 nan 0.000 0.608 198 T N -2.870 111.657 114.554 -0.045 0.000 2.874 198 T HA 0.459 4.810 4.350 0.001 0.000 0.281 198 T C 1.302 175.969 174.700 -0.054 0.000 0.994 198 T CA -0.410 61.674 62.100 -0.027 0.000 1.015 198 T CB 0.789 69.723 68.868 0.111 0.000 1.028 198 T HN 0.102 nan 8.240 nan 0.000 0.523 199 Y N -0.151 120.179 120.300 0.051 0.000 2.242 199 Y HA 0.001 4.551 4.550 0.001 0.000 0.291 199 Y C 2.822 178.737 175.900 0.024 0.000 1.137 199 Y CA 1.454 59.569 58.100 0.026 0.000 1.181 199 Y CB -0.238 38.233 38.460 0.017 0.000 0.989 199 Y HN 0.884 nan 8.280 nan 0.000 0.527 200 E N -0.230 120.101 120.200 0.218 0.000 2.097 200 E HA -0.328 4.022 4.350 0.001 0.000 0.196 200 E C 1.938 178.615 176.600 0.128 0.000 1.000 200 E CA 1.658 58.161 56.400 0.173 0.000 0.804 200 E CB -0.435 29.387 29.700 0.204 0.000 0.740 200 E HN 0.587 nan 8.360 nan 0.000 0.454 201 Y N 0.512 120.791 120.300 -0.034 0.000 2.263 201 Y HA -0.037 4.514 4.550 0.001 0.000 0.292 201 Y C 2.091 177.906 175.900 -0.142 0.000 1.130 201 Y CA 1.390 59.349 58.100 -0.236 0.000 1.179 201 Y CB -0.580 37.566 38.460 -0.523 0.000 0.998 201 Y HN 0.153 nan 8.280 nan 0.000 0.532 202 A N 0.145 122.803 122.820 -0.270 0.000 1.902 202 A HA -0.195 4.126 4.320 0.001 0.000 0.217 202 A C 1.961 179.442 177.584 -0.171 0.000 1.181 202 A CA 2.048 53.912 52.037 -0.289 0.000 0.623 202 A CB -0.819 18.132 19.000 -0.082 0.000 0.818 202 A HN 0.509 nan 8.150 nan 0.000 0.443 203 D N -1.640 118.729 120.400 -0.052 0.000 2.097 203 D HA -0.155 4.486 4.640 0.001 0.000 0.195 203 D C 1.703 178.007 176.300 0.006 0.000 0.989 203 D CA 1.569 55.577 54.000 0.013 0.000 0.827 203 D CB -0.558 40.261 40.800 0.033 0.000 0.966 203 D HN 0.552 nan 8.370 nan 0.000 0.456 204 Y N 1.887 122.067 120.300 -0.200 0.000 2.053 204 Y HA -0.288 4.263 4.550 0.001 0.000 0.277 204 Y C 2.304 178.071 175.900 -0.223 0.000 1.159 204 Y CA 1.976 59.947 58.100 -0.214 0.000 1.125 204 Y CB -0.697 37.675 38.460 -0.147 0.000 0.969 204 Y HN -0.040 nan 8.280 nan 0.000 0.492 205 A N -0.502 122.030 122.820 -0.480 0.000 1.883 205 A HA -0.288 4.033 4.320 0.001 0.000 0.217 205 A C 2.225 179.754 177.584 -0.092 0.000 1.186 205 A CA 1.891 53.650 52.037 -0.463 0.000 0.624 205 A CB -1.782 16.599 19.000 -1.032 0.000 0.822 205 A HN 0.732 nan 8.150 nan 0.000 0.444 206 Y N 0.988 121.272 120.300 -0.026 0.000 2.128 206 Y HA -0.249 4.302 4.550 0.001 0.000 0.284 206 Y C 2.247 178.107 175.900 -0.067 0.000 1.154 206 Y CA 2.448 60.632 58.100 0.140 0.000 1.149 206 Y CB -0.191 38.323 38.460 0.089 0.000 0.976 206 Y HN 0.295 nan 8.280 nan 0.000 0.505 207 K N -0.329 119.966 120.400 -0.175 0.000 2.148 207 K HA -0.164 4.156 4.320 0.001 0.000 0.204 207 K C 2.116 178.564 176.600 -0.254 0.000 1.050 207 K CA 1.492 57.558 56.287 -0.368 0.000 0.942 207 K CB -0.215 31.838 32.500 -0.746 0.000 0.724 207 K HN 0.514 nan 8.250 nan 0.000 0.446 208 Q N 0.518 120.162 119.800 -0.259 0.000 2.079 208 Q HA -0.094 4.246 4.340 0.001 0.000 0.200 208 Q C 2.232 178.131 176.000 -0.168 0.000 0.974 208 Q CA 1.134 56.919 55.803 -0.030 0.000 0.840 208 Q CB 0.019 28.727 28.738 -0.050 0.000 0.898 208 Q HN 0.102 nan 8.270 nan 0.000 0.430 209 V N 0.837 120.538 119.914 -0.356 0.000 2.427 209 V HA -0.249 3.872 4.120 0.001 0.000 0.248 209 V C 2.276 178.233 176.094 -0.229 0.000 1.051 209 V CA 1.218 63.328 62.300 -0.316 0.000 1.048 209 V CB -0.399 31.325 31.823 -0.165 0.000 0.666 209 V HN 0.414 nan 8.190 nan 0.000 0.456 210 M N -0.390 119.025 119.600 -0.307 0.000 2.149 210 M HA -0.209 4.272 4.480 0.001 0.000 0.261 210 M C 2.170 178.417 176.300 -0.088 0.000 1.064 210 M CA 1.695 56.823 55.300 -0.287 0.000 1.102 210 M CB -1.062 31.219 32.600 -0.531 0.000 1.369 210 M HN 0.500 nan 8.290 nan 0.000 0.408 211 E N 0.283 120.470 120.200 -0.022 0.000 2.072 211 E HA -0.138 4.213 4.350 0.001 0.000 0.191 211 E C 2.143 178.706 176.600 -0.062 0.000 0.985 211 E CA 0.733 57.177 56.400 0.074 0.000 0.801 211 E CB 0.085 29.983 29.700 0.329 0.000 0.750 211 E HN 0.446 nan 8.360 nan 0.000 0.452 212 L N 0.180 121.312 121.223 -0.152 0.000 2.093 212 L HA -0.166 4.175 4.340 0.001 0.000 0.208 212 L C 2.468 179.310 176.870 -0.048 0.000 1.085 212 L CA 0.606 55.335 54.840 -0.186 0.000 0.755 212 L CB -0.245 41.657 42.059 -0.261 0.000 0.904 212 L HN 0.101 nan 8.230 nan 0.000 0.435 213 V N -0.307 119.593 119.914 -0.023 0.000 2.261 213 V HA -0.291 3.830 4.120 0.001 0.000 0.246 213 V C 2.120 178.256 176.094 0.069 0.000 1.047 213 V CA 1.934 64.281 62.300 0.078 0.000 1.015 213 V CB -0.483 31.428 31.823 0.147 0.000 0.642 213 V HN 0.424 nan 8.190 nan 0.000 0.446 214 D N 0.054 120.485 120.400 0.051 0.000 2.117 214 D HA -0.108 4.533 4.640 0.001 0.000 0.197 214 D C 2.115 178.349 176.300 -0.110 0.000 0.987 214 D CA 1.280 55.294 54.000 0.024 0.000 0.829 214 D CB -0.187 40.649 40.800 0.060 0.000 0.961 214 D HN 0.342 nan 8.370 nan 0.000 0.460 215 L N -1.098 119.952 121.223 -0.288 0.000 2.179 215 L HA -0.098 4.243 4.340 0.001 0.000 0.208 215 L C 1.403 177.803 176.870 -0.783 0.000 1.096 215 L CA 0.954 55.422 54.840 -0.621 0.000 0.779 215 L CB -0.118 41.321 42.059 -1.033 0.000 0.922 215 L HN 0.105 nan 8.230 nan 0.000 0.443 216 Y N -2.671 117.643 120.300 0.023 0.000 2.563 216 Y HA 0.288 4.839 4.550 0.001 0.000 0.250 216 Y C 0.373 176.320 175.900 0.078 0.000 1.126 216 Y CA -1.065 57.059 58.100 0.040 0.000 1.231 216 Y CB 0.555 39.066 38.460 0.085 0.000 1.288 216 Y HN -0.209 nan 8.280 nan 0.000 0.537 217 L N 2.341 123.656 121.223 0.152 0.000 3.965 217 L HA -0.201 4.140 4.340 0.001 0.000 0.499 217 L C -2.740 174.279 176.870 0.248 0.000 1.194 217 L CA -0.541 54.392 54.840 0.155 0.000 0.707 217 L CB -1.084 40.964 42.059 -0.019 0.000 1.414 217 L HN -0.017 nan 8.230 nan 0.000 0.802 218 P HA 0.082 nan 4.420 nan 0.000 0.270 218 P C 0.492 178.135 177.300 0.573 0.000 1.223 218 P CA -0.088 63.284 63.100 0.454 0.000 0.785 218 P CB 0.509 32.411 31.700 0.338 0.000 0.923 219 D N -0.294 120.406 120.400 0.500 0.000 2.289 219 D HA 0.037 4.678 4.640 0.001 0.000 0.207 219 D C 0.210 176.909 176.300 0.666 0.000 0.966 219 D CA 1.133 55.488 54.000 0.590 0.000 0.868 219 D CB 0.330 41.269 40.800 0.232 0.000 0.943 219 D HN 0.068 nan 8.370 nan 0.000 0.514 220 V N 1.088 121.310 119.914 0.514 0.000 2.888 220 V HA 0.293 4.414 4.120 0.001 0.000 0.309 220 V C -0.527 175.768 176.094 0.335 0.000 1.114 220 V CA -0.748 61.829 62.300 0.462 0.000 0.940 220 V CB 3.022 35.130 31.823 0.474 0.000 1.021 220 V HN -0.121 nan 8.190 nan 0.000 0.426 221 L N 3.157 124.542 121.223 0.271 0.000 2.313 221 L HA 0.406 4.747 4.340 0.001 0.000 0.273 221 L C -1.181 175.906 176.870 0.362 0.000 1.028 221 L CA -0.046 54.929 54.840 0.224 0.000 0.871 221 L CB 1.104 43.209 42.059 0.077 0.000 1.242 221 L HN 0.744 nan 8.230 nan 0.000 0.434 222 W N 4.748 126.133 121.300 0.141 0.000 2.289 222 W HA 0.262 4.922 4.660 0.002 0.000 0.342 222 W C 0.457 176.858 176.519 -0.198 0.000 0.958 222 W CA -0.300 57.094 57.345 0.082 0.000 1.492 222 W CB 0.928 30.540 29.460 0.254 0.000 1.336 222 W HN 0.434 nan 8.180 nan 0.000 0.371 223 N N 3.022 121.494 118.700 -0.380 0.000 2.513 223 N HA 0.149 4.889 4.740 0.001 0.000 0.274 223 N C -1.093 174.151 175.510 -0.443 0.000 1.189 223 N CA 0.398 53.055 53.050 -0.656 0.000 0.975 223 N CB 0.938 38.424 38.487 -1.667 0.000 1.157 223 N HN 0.269 nan 8.380 nan 0.000 0.465 224 D N 1.417 121.630 120.400 -0.312 0.000 2.601 224 D HA 0.362 5.003 4.640 0.001 0.000 0.230 224 D C -0.178 176.111 176.300 -0.019 0.000 1.106 224 D CA -0.136 53.823 54.000 -0.069 0.000 0.873 224 D CB 0.914 41.804 40.800 0.151 0.000 1.515 224 D HN 0.507 nan 8.370 nan 0.000 0.468 225 M N 0.947 120.578 119.600 0.051 0.000 2.751 225 M HA -0.138 4.343 4.480 0.001 0.000 0.199 225 M C 0.563 176.875 176.300 0.021 0.000 0.550 225 M CA 1.192 56.518 55.300 0.043 0.000 0.640 225 M CB -2.411 30.185 32.600 -0.007 0.000 2.351 225 M HN 0.842 nan 8.290 nan 0.000 0.613 226 G N -0.367 108.442 108.800 0.015 0.000 2.829 226 G HA2 -0.208 3.753 3.960 0.001 0.000 0.628 226 G HA3 -0.208 3.753 3.960 0.001 0.000 0.628 226 G C -0.731 174.308 174.900 0.232 0.000 1.412 226 G CA -0.117 45.041 45.100 0.095 0.000 0.864 226 G HN 0.674 nan 8.290 nan 0.000 0.544 227 W N 1.148 122.495 121.300 0.079 0.000 2.551 227 W HA 0.543 5.204 4.660 0.001 0.000 0.330 227 W C -2.025 174.570 176.519 0.127 0.000 1.063 227 W CA -2.023 55.409 57.345 0.144 0.000 1.222 227 W CB 1.913 31.537 29.460 0.273 0.000 1.349 227 W HN 0.505 nan 8.180 nan 0.000 0.536 228 P HA -0.170 nan 4.420 nan 0.000 0.257 228 P C 0.601 177.946 177.300 0.075 0.000 1.162 228 P CA 0.911 63.952 63.100 -0.099 0.000 0.762 228 P CB 0.488 32.021 31.700 -0.278 0.000 0.753 229 E N 4.097 124.342 120.200 0.075 0.000 2.147 229 E HA -0.257 4.094 4.350 0.001 0.000 0.199 229 E C 1.160 177.814 176.600 0.090 0.000 1.005 229 E CA 1.852 58.309 56.400 0.096 0.000 0.810 229 E CB -0.260 29.466 29.700 0.045 0.000 0.736 229 E HN 0.392 nan 8.360 nan 0.000 0.460 230 K N -1.664 118.745 120.400 0.015 0.000 2.439 230 K HA 0.051 4.372 4.320 0.001 0.000 0.197 230 K C 1.614 178.284 176.600 0.117 0.000 1.041 230 K CA 0.838 57.136 56.287 0.018 0.000 0.970 230 K CB 0.170 32.569 32.500 -0.168 0.000 0.773 230 K HN 0.193 nan 8.250 nan 0.000 0.479 231 G N 0.391 109.298 108.800 0.178 0.000 3.159 231 G HA2 -0.027 3.934 3.960 0.001 0.000 0.232 231 G HA3 -0.027 3.934 3.960 0.001 0.000 0.232 231 G C 0.874 176.071 174.900 0.495 0.000 1.116 231 G CA -0.267 45.033 45.100 0.333 0.000 0.767 231 G HN 0.072 nan 8.290 nan 0.000 0.547 232 K N 0.644 121.299 120.400 0.426 0.000 2.044 232 K HA -0.107 4.213 4.320 0.001 0.000 0.210 232 K C 2.098 178.824 176.600 0.211 0.000 1.049 232 K CA 1.219 57.697 56.287 0.318 0.000 0.927 232 K CB 0.037 32.699 32.500 0.269 0.000 0.713 232 K HN 0.098 nan 8.250 nan 0.000 0.443 233 E N 0.980 121.297 120.200 0.195 0.000 2.265 233 E HA -0.167 4.184 4.350 0.001 0.000 0.196 233 E C 1.399 178.050 176.600 0.084 0.000 0.996 233 E CA 0.961 57.448 56.400 0.145 0.000 0.832 233 E CB -0.143 29.639 29.700 0.137 0.000 0.756 233 E HN 0.297 nan 8.360 nan 0.000 0.491 234 D N 0.526 120.977 120.400 0.085 0.000 2.178 234 D HA -0.117 4.523 4.640 0.001 0.000 0.201 234 D C 2.060 178.327 176.300 -0.054 0.000 0.980 234 D CA 0.465 54.498 54.000 0.055 0.000 0.842 234 D CB -0.207 40.581 40.800 -0.020 0.000 0.948 234 D HN 0.229 nan 8.370 nan 0.000 0.472 235 L N 0.583 121.612 121.223 -0.323 0.000 2.131 235 L HA -0.152 4.189 4.340 0.001 0.000 0.210 235 L C 2.275 178.629 176.870 -0.860 0.000 1.092 235 L CA 0.983 55.304 54.840 -0.864 0.000 0.759 235 L CB -0.398 40.944 42.059 -1.195 0.000 0.903 235 L HN 0.012 nan 8.230 nan 0.000 0.435 236 K N -0.202 119.733 120.400 -0.774 0.000 2.074 236 K HA -0.210 4.110 4.320 0.001 0.000 0.209 236 K C 2.062 178.202 176.600 -0.765 0.000 1.048 236 K CA 1.820 57.464 56.287 -1.072 0.000 0.926 236 K CB -0.292 31.361 32.500 -1.411 0.000 0.713 236 K HN 0.288 nan 8.250 nan 0.000 0.444 237 Y N 0.710 120.822 120.300 -0.314 0.000 2.243 237 Y HA -0.084 4.466 4.550 0.001 0.000 0.293 237 Y C 2.269 178.125 175.900 -0.074 0.000 1.124 237 Y CA 0.551 58.564 58.100 -0.145 0.000 1.159 237 Y CB -0.366 38.037 38.460 -0.094 0.000 1.008 237 Y HN -0.018 nan 8.280 nan 0.000 0.527 238 L N -0.839 120.373 121.223 -0.017 0.000 2.017 238 L HA -0.208 4.133 4.340 0.001 0.000 0.208 238 L C 2.082 178.936 176.870 -0.027 0.000 1.073 238 L CA 1.581 56.381 54.840 -0.065 0.000 0.745 238 L CB -0.435 41.487 42.059 -0.229 0.000 0.894 238 L HN 0.223 nan 8.230 nan 0.000 0.432 239 F N -0.246 119.498 119.950 -0.343 0.000 2.171 239 F HA -0.236 4.292 4.527 0.001 0.000 0.300 239 F C 2.630 178.160 175.800 -0.449 0.000 1.090 239 F CA 0.363 58.028 58.000 -0.558 0.000 1.293 239 F CB -0.365 38.286 39.000 -0.583 0.000 1.013 239 F HN 0.265 nan 8.300 nan 0.000 0.486 240 A N -0.385 122.412 122.820 -0.038 0.000 1.898 240 A HA -0.261 4.060 4.320 0.001 0.000 0.216 240 A C 1.871 179.541 177.584 0.143 0.000 1.181 240 A CA 1.258 53.331 52.037 0.061 0.000 0.620 240 A CB -1.333 17.690 19.000 0.038 0.000 0.819 240 A HN 0.497 nan 8.150 nan 0.000 0.442 241 Y N -1.139 119.182 120.300 0.034 0.000 2.165 241 Y HA -0.300 4.250 4.550 0.001 0.000 0.286 241 Y C 2.214 178.175 175.900 0.101 0.000 1.155 241 Y CA 2.108 60.250 58.100 0.070 0.000 1.164 241 Y CB -0.570 37.925 38.460 0.058 0.000 0.978 241 Y HN 0.480 nan 8.280 nan 0.000 0.513 242 Y N -1.237 119.072 120.300 0.015 0.000 2.133 242 Y HA -0.316 4.235 4.550 0.001 0.000 0.287 242 Y C 1.993 177.873 175.900 -0.034 0.000 1.134 242 Y CA 1.704 59.761 58.100 -0.071 0.000 1.133 242 Y CB -0.661 37.686 38.460 -0.188 0.000 0.987 242 Y HN 0.089 nan 8.280 nan 0.000 0.502 243 Y N 0.777 120.913 120.300 -0.273 0.000 2.274 243 Y HA -0.212 4.339 4.550 0.001 0.000 0.290 243 Y C 2.203 178.053 175.900 -0.083 0.000 1.145 243 Y CA 1.116 58.964 58.100 -0.420 0.000 1.203 243 Y CB -0.940 37.081 38.460 -0.733 0.000 0.984 243 Y HN 0.285 nan 8.280 nan 0.000 0.533 244 N N -0.022 118.780 118.700 0.170 0.000 2.396 244 N HA -0.085 4.656 4.740 0.001 0.000 0.180 244 N C 1.432 176.958 175.510 0.028 0.000 1.028 244 N CA 0.915 54.053 53.050 0.147 0.000 0.893 244 N CB -0.071 38.487 38.487 0.119 0.000 0.967 244 N HN 0.386 nan 8.380 nan 0.000 0.440 245 K N -1.077 119.298 120.400 -0.043 0.000 2.334 245 K HA 0.035 4.356 4.320 0.001 0.000 0.195 245 K C -0.046 176.592 176.600 0.064 0.000 1.045 245 K CA 0.376 56.634 56.287 -0.049 0.000 1.004 245 K CB 0.372 32.793 32.500 -0.131 0.000 0.837 245 K HN 0.068 nan 8.250 nan 0.000 0.510 246 H N -0.266 118.736 119.070 -0.113 0.000 2.699 246 H HA 0.213 4.769 4.556 0.001 0.000 0.256 246 H C -2.663 172.614 175.328 -0.086 0.000 1.376 246 H CA -2.296 53.688 56.048 -0.107 0.000 1.549 246 H CB 1.010 30.680 29.762 -0.153 0.000 1.686 246 H HN -0.149 nan 8.280 nan 0.000 0.550 247 P HA -0.136 nan 4.420 nan 0.000 0.218 247 P C 0.785 178.062 177.300 -0.038 0.000 1.148 247 P CA 1.117 64.245 63.100 0.047 0.000 0.822 247 P CB 0.469 32.251 31.700 0.137 0.000 0.784 248 E N -0.378 119.711 120.200 -0.184 0.000 2.494 248 E HA 0.102 4.453 4.350 0.001 0.000 0.193 248 E C 1.277 177.828 176.600 -0.081 0.000 1.074 248 E CA 0.151 56.532 56.400 -0.032 0.000 0.867 248 E CB -0.382 29.418 29.700 0.167 0.000 0.924 248 E HN 0.210 nan 8.360 nan 0.000 0.502 249 G N 1.378 109.852 108.800 -0.543 0.000 2.616 249 G HA2 0.308 4.269 3.960 0.001 0.000 0.268 249 G HA3 0.308 4.269 3.960 0.001 0.000 0.268 249 G C -0.075 174.984 174.900 0.265 0.000 1.213 249 G CA -0.027 44.968 45.100 -0.175 0.000 0.926 249 G HN 0.182 nan 8.290 nan 0.000 0.523 250 S N -2.326 113.663 115.700 0.482 0.000 2.565 250 S HA 0.680 5.151 4.470 0.001 0.000 0.269 250 S C -0.821 173.947 174.600 0.279 0.000 1.153 250 S CA -0.201 58.216 58.200 0.361 0.000 0.835 250 S CB 1.517 64.813 63.200 0.160 0.000 1.122 250 S HN 1.875 nan 8.310 nan 0.000 0.462 251 V N -0.065 119.858 119.914 0.015 0.000 2.962 251 V HA 0.814 4.935 4.120 0.001 0.000 0.313 251 V C -0.362 175.447 176.094 -0.475 0.000 1.099 251 V CA -0.922 61.297 62.300 -0.134 0.000 0.971 251 V CB 1.547 33.058 31.823 -0.520 0.000 1.028 251 V HN 1.185 nan 8.190 nan 0.000 0.430 252 N N 1.889 120.305 118.700 -0.473 0.000 2.452 252 N HA 0.299 5.040 4.740 0.001 0.000 0.296 252 N C 0.101 175.362 175.510 -0.416 0.000 1.304 252 N CA 0.225 52.655 53.050 -1.034 0.000 0.956 252 N CB 0.119 37.913 38.487 -1.155 0.000 1.106 252 N HN 0.881 nan 8.380 nan 0.000 0.555 253 D N -2.397 117.694 120.400 -0.516 0.000 2.501 253 D HA 0.113 4.754 4.640 0.001 0.000 0.226 253 D C -0.134 176.011 176.300 -0.259 0.000 1.198 253 D CA -0.193 53.608 54.000 -0.331 0.000 0.830 253 D CB -0.256 40.139 40.800 -0.674 0.000 1.014 253 D HN 0.481 nan 8.370 nan 0.000 0.496 254 R N 0.003 120.271 120.500 -0.387 0.000 2.831 254 R HA 0.245 4.586 4.340 0.001 0.000 0.337 254 R C -0.121 175.994 176.300 -0.309 0.000 1.200 254 R CA -0.283 55.605 56.100 -0.354 0.000 1.088 254 R CB -0.107 29.928 30.300 -0.440 0.000 1.397 254 R HN 0.172 nan 8.270 nan 0.000 0.581 255 W N -0.472 120.822 121.300 -0.010 0.000 2.907 255 W HA 0.262 4.923 4.660 0.001 0.000 0.271 255 W C 1.361 177.926 176.519 0.077 0.000 1.253 255 W CA 0.348 57.739 57.345 0.077 0.000 1.501 255 W CB 0.467 29.969 29.460 0.070 0.000 1.047 255 W HN 0.299 nan 8.180 nan 0.000 0.610 256 G N 1.343 110.281 108.800 0.229 0.000 2.176 256 G HA2 -0.161 3.800 3.960 0.001 0.000 0.252 256 G HA3 -0.161 3.800 3.960 0.001 0.000 0.252 256 G C -0.098 174.851 174.900 0.082 0.000 1.024 256 G CA 0.308 45.485 45.100 0.129 0.000 0.755 256 G HN 0.482 nan 8.290 nan 0.000 0.507 257 V N -4.728 115.215 119.914 0.049 0.000 3.158 257 V HA 0.877 4.998 4.120 0.001 0.000 0.315 257 V C -0.597 175.292 176.094 -0.343 0.000 1.148 257 V CA -1.316 60.855 62.300 -0.215 0.000 1.042 257 V CB 1.146 32.780 31.823 -0.315 0.000 1.101 257 V HN -0.056 nan 8.190 nan 0.000 0.448 258 P HA -0.086 nan 4.420 nan 0.000 0.216 258 P C 0.206 177.318 177.300 -0.312 0.000 1.150 258 P CA 1.597 64.348 63.100 -0.582 0.000 0.843 258 P CB -0.142 30.983 31.700 -0.959 0.000 0.787 259 H N -0.570 118.260 119.070 -0.399 0.000 2.481 259 H HA 0.376 4.933 4.556 0.001 0.000 0.339 259 H C -0.555 174.738 175.328 -0.059 0.000 1.131 259 H CA -0.425 55.511 56.048 -0.187 0.000 1.301 259 H CB 0.360 30.191 29.762 0.114 0.000 1.476 259 H HN 0.077 nan 8.280 nan 0.000 0.529 260 W N 3.859 124.603 121.300 -0.926 0.000 3.319 260 W HA 0.196 4.857 4.660 0.001 0.000 0.300 260 W C -1.333 174.739 176.519 -0.746 0.000 1.244 260 W CA -0.600 56.320 57.345 -0.709 0.000 1.193 260 W CB 0.634 29.846 29.460 -0.413 0.000 1.359 260 W HN 0.446 nan 8.180 nan 0.000 0.568 261 D N 1.274 121.539 120.400 -0.225 0.000 2.324 261 D HA 0.114 4.755 4.640 0.001 0.000 0.212 261 D C 0.100 176.571 176.300 0.285 0.000 0.984 261 D CA 1.324 55.278 54.000 -0.076 0.000 0.885 261 D CB 0.784 41.589 40.800 0.007 0.000 0.996 261 D HN 0.239 nan 8.370 nan 0.000 0.505 262 F N -0.650 119.501 119.950 0.335 0.000 2.641 262 F HA 0.510 5.038 4.527 0.001 0.000 0.308 262 F C -0.552 175.250 175.800 0.004 0.000 1.105 262 F CA -1.385 56.778 58.000 0.273 0.000 0.964 262 F CB 1.102 40.177 39.000 0.125 0.000 1.294 262 F HN -0.507 nan 8.300 nan 0.000 0.442 263 K N 0.713 121.084 120.400 -0.049 0.000 2.148 263 K HA 0.747 5.068 4.320 0.001 0.000 0.239 263 K C -0.409 176.307 176.600 0.194 0.000 1.018 263 K CA -0.607 55.496 56.287 -0.306 0.000 0.923 263 K CB 1.632 33.769 32.500 -0.605 0.000 1.117 263 K HN 0.908 nan 8.250 nan 0.000 0.477 264 T N -2.666 111.935 114.554 0.078 0.000 2.906 264 T HA 0.778 5.128 4.350 0.001 0.000 0.295 264 T C -1.185 173.695 174.700 0.301 0.000 1.075 264 T CA -1.037 61.238 62.100 0.292 0.000 1.005 264 T CB 1.904 70.873 68.868 0.168 0.000 1.136 264 T HN 0.603 nan 8.240 nan 0.000 0.498 265 A N 0.982 124.085 122.820 0.472 0.000 2.520 265 A HA 0.779 5.100 4.320 0.001 0.000 0.298 265 A C -1.025 176.873 177.584 0.523 0.000 1.051 265 A CA -0.774 51.545 52.037 0.471 0.000 0.690 265 A CB 1.712 21.018 19.000 0.510 0.000 1.281 265 A HN 0.943 nan 8.150 nan 0.000 0.402 266 E N 1.461 121.932 120.200 0.452 0.000 2.216 266 E HA 0.574 4.925 4.350 0.001 0.000 0.260 266 E C -0.725 176.157 176.600 0.469 0.000 0.880 266 E CA -0.458 56.178 56.400 0.393 0.000 0.765 266 E CB 0.780 30.750 29.700 0.449 0.000 1.174 266 E HN 0.644 nan 8.360 nan 0.000 0.417 267 Y N 0.807 121.330 120.300 0.371 0.000 2.854 267 Y HA -0.505 4.045 4.550 0.001 0.000 0.466 267 Y C 1.722 177.770 175.900 0.247 0.000 1.170 267 Y CA 1.748 60.015 58.100 0.277 0.000 2.593 267 Y CB -0.929 37.648 38.460 0.195 0.000 1.203 267 Y HN 0.745 nan 8.280 nan 0.000 0.629 268 H N -0.557 118.769 119.070 0.427 0.000 2.462 268 H HA 0.081 4.638 4.556 0.001 0.000 0.292 268 H C 0.448 175.926 175.328 0.250 0.000 1.049 268 H CA 1.167 57.365 56.048 0.251 0.000 1.334 268 H CB -0.406 29.437 29.762 0.135 0.000 1.404 268 H HN 0.069 nan 8.280 nan 0.000 0.544 269 V N 3.819 123.939 119.914 0.342 0.000 2.458 269 V HA -0.106 4.014 4.120 0.001 0.000 0.287 269 V C 0.654 176.893 176.094 0.242 0.000 1.009 269 V CA 0.250 62.691 62.300 0.235 0.000 1.091 269 V CB -0.103 31.827 31.823 0.178 0.000 0.960 269 V HN 0.607 nan 8.190 nan 0.000 0.476 270 N N 2.556 121.352 118.700 0.160 0.000 2.782 270 N HA -0.242 4.499 4.740 0.001 0.000 0.251 270 N C -0.309 175.231 175.510 0.050 0.000 1.101 270 N CA 0.727 53.829 53.050 0.086 0.000 0.764 270 N CB -1.256 37.268 38.487 0.061 0.000 1.122 270 N HN 0.772 nan 8.380 nan 0.000 0.561 271 Y N 2.771 123.078 120.300 0.011 0.000 2.465 271 Y HA 0.228 4.779 4.550 0.001 0.000 0.331 271 Y C -1.473 174.293 175.900 -0.223 0.000 1.102 271 Y CA -1.051 56.991 58.100 -0.097 0.000 1.358 271 Y CB 0.670 39.107 38.460 -0.038 0.000 1.213 271 Y HN 0.044 nan 8.280 nan 0.000 0.525 272 P HA 0.170 nan 4.420 nan 0.000 0.280 272 P C 0.206 177.399 177.300 -0.179 0.000 1.244 272 P CA -0.208 62.596 63.100 -0.495 0.000 0.784 272 P CB 1.658 32.869 31.700 -0.814 0.000 0.913 273 G N 1.248 110.011 108.800 -0.063 0.000 2.623 273 G HA2 -0.031 3.930 3.960 0.001 0.000 0.214 273 G HA3 -0.031 3.930 3.960 0.001 0.000 0.214 273 G C 0.277 175.167 174.900 -0.016 0.000 1.138 273 G CA 0.461 45.568 45.100 0.012 0.000 0.794 273 G HN 0.587 nan 8.290 nan 0.000 0.535 274 D N -1.873 118.484 120.400 -0.072 0.000 2.759 274 D HA 0.288 4.929 4.640 0.001 0.000 0.321 274 D C -0.383 175.858 176.300 -0.098 0.000 1.267 274 D CA -0.864 53.104 54.000 -0.053 0.000 0.933 274 D CB 0.348 41.122 40.800 -0.043 0.000 1.431 274 D HN -0.124 nan 8.370 nan 0.000 0.504 275 L N 1.838 123.024 121.223 -0.061 0.000 2.628 275 L HA 0.110 4.451 4.340 0.001 0.000 0.274 275 L C -1.268 175.493 176.870 -0.181 0.000 1.209 275 L CA -0.565 54.229 54.840 -0.076 0.000 0.930 275 L CB 0.083 42.117 42.059 -0.041 0.000 1.183 275 L HN 0.420 nan 8.230 nan 0.000 0.492 276 P HA 0.057 nan 4.420 nan 0.000 0.222 276 P C 0.977 177.946 177.300 -0.550 0.000 1.157 276 P CA 0.868 63.636 63.100 -0.553 0.000 0.816 276 P CB 0.446 31.533 31.700 -1.021 0.000 0.813 277 G N -1.792 106.760 108.800 -0.414 0.000 2.159 277 G HA2 -0.159 3.801 3.960 0.001 0.000 0.227 277 G HA3 -0.159 3.801 3.960 0.001 0.000 0.227 277 G C -0.230 174.641 174.900 -0.049 0.000 0.986 277 G CA -0.012 44.977 45.100 -0.185 0.000 0.651 277 G HN 0.458 nan 8.290 nan 0.000 0.523 278 Y N -2.378 118.040 120.300 0.196 0.000 2.638 278 Y HA 0.833 5.384 4.550 0.001 0.000 0.335 278 Y C -0.256 175.862 175.900 0.362 0.000 1.155 278 Y CA -2.296 55.977 58.100 0.287 0.000 1.046 278 Y CB 0.463 39.163 38.460 0.399 0.000 1.303 278 Y HN 0.102 nan 8.280 nan 0.000 0.460 279 K N 2.879 123.643 120.400 0.606 0.000 2.350 279 K HA 0.359 4.679 4.320 0.001 0.000 0.279 279 K C -0.994 176.065 176.600 0.765 0.000 1.027 279 K CA -0.297 56.314 56.287 0.540 0.000 0.969 279 K CB 0.259 33.027 32.500 0.447 0.000 0.954 279 K HN 0.804 nan 8.250 nan 0.000 0.474 280 W N 1.886 123.425 121.300 0.397 0.000 3.003 280 W HA 0.587 5.248 4.660 0.001 0.000 0.362 280 W C -1.387 175.343 176.519 0.351 0.000 1.213 280 W CA -0.807 56.782 57.345 0.407 0.000 1.157 280 W CB 0.648 30.303 29.460 0.325 0.000 1.493 280 W HN 0.627 nan 8.180 nan 0.000 0.589 281 E N 0.982 121.420 120.200 0.398 0.000 2.321 281 E HA 0.424 4.774 4.350 0.001 0.000 0.278 281 E C -2.262 174.578 176.600 0.398 0.000 0.902 281 E CA -0.664 55.819 56.400 0.138 0.000 0.758 281 E CB 2.773 32.665 29.700 0.319 0.000 1.213 281 E HN 0.279 nan 8.360 nan 0.000 0.426 282 F N 2.949 122.921 119.950 0.038 0.000 2.408 282 F HA 0.530 5.058 4.527 0.001 0.000 0.344 282 F C -0.486 175.456 175.800 0.236 0.000 1.112 282 F CA -0.057 58.116 58.000 0.287 0.000 1.096 282 F CB 1.804 40.980 39.000 0.293 0.000 1.129 282 F HN 0.308 nan 8.300 nan 0.000 0.486 283 T N 6.461 120.754 114.554 -0.436 0.000 2.900 283 T HA 0.819 5.170 4.350 0.001 0.000 0.295 283 T C -1.274 172.978 174.700 -0.746 0.000 1.044 283 T CA -0.616 61.273 62.100 -0.352 0.000 0.995 283 T CB 1.071 70.083 68.868 0.239 0.000 1.072 283 T HN 0.960 nan 8.240 nan 0.000 0.473 284 R N 1.151 121.279 120.500 -0.621 0.000 2.765 284 R HA 0.643 4.984 4.340 0.001 0.000 0.277 284 R C -0.390 175.446 176.300 -0.774 0.000 1.028 284 R CA -1.283 54.215 56.100 -1.002 0.000 0.860 284 R CB 0.216 29.754 30.300 -1.270 0.000 1.270 284 R HN 0.781 nan 8.270 nan 0.000 0.484 285 G N 0.256 108.529 108.800 -0.878 0.000 2.504 285 G HA2 0.401 4.362 3.960 0.001 0.000 0.288 285 G HA3 0.401 4.362 3.960 0.001 0.000 0.288 285 G C 0.612 175.356 174.900 -0.259 0.000 1.182 285 G CA -1.074 43.661 45.100 -0.609 0.000 0.894 285 G HN 0.558 nan 8.290 nan 0.000 0.521 286 I N 0.559 121.019 120.570 -0.183 0.000 2.361 286 I HA -0.036 4.135 4.170 0.001 0.000 0.251 286 I C 2.084 178.174 176.117 -0.045 0.000 1.133 286 I CA 1.414 62.660 61.300 -0.090 0.000 1.413 286 I CB -0.106 37.855 38.000 -0.065 0.000 1.073 286 I HN 0.556 nan 8.210 nan 0.000 0.424 287 G N -0.311 108.456 108.800 -0.054 0.000 3.271 287 G HA2 0.390 4.351 3.960 0.001 0.000 0.174 287 G HA3 0.390 4.351 3.960 0.001 0.000 0.174 287 G C 0.515 175.436 174.900 0.034 0.000 1.385 287 G CA -0.408 44.688 45.100 -0.006 0.000 0.979 287 G HN 0.085 nan 8.290 nan 0.000 0.610 288 L N 0.023 121.218 121.223 -0.047 0.000 2.664 288 L HA 0.319 4.659 4.340 0.001 0.000 0.233 288 L C 1.128 177.954 176.870 -0.074 0.000 1.113 288 L CA 0.170 54.941 54.840 -0.114 0.000 0.896 288 L CB 0.756 42.707 42.059 -0.179 0.000 1.163 288 L HN 0.324 nan 8.230 nan 0.000 0.497 289 S N -1.589 114.027 115.700 -0.139 0.000 2.664 289 S HA 0.527 4.998 4.470 0.001 0.000 0.304 289 S C 0.284 174.621 174.600 -0.439 0.000 1.099 289 S CA -0.533 57.574 58.200 -0.155 0.000 1.003 289 S CB 1.299 64.426 63.200 -0.122 0.000 1.092 289 S HN 0.046 nan 8.310 nan 0.000 0.525 290 F N 1.584 121.292 119.950 -0.404 0.000 2.298 290 F HA 0.349 4.877 4.527 0.001 0.000 0.282 290 F C 1.939 177.584 175.800 -0.258 0.000 1.045 290 F CA 0.565 58.238 58.000 -0.545 0.000 1.280 290 F CB -0.903 37.358 39.000 -1.232 0.000 1.114 290 F HN 0.694 nan 8.300 nan 0.000 0.546 291 G N -0.792 108.025 108.800 0.030 0.000 2.554 291 G HA2 0.007 3.967 3.960 0.001 0.000 0.238 291 G HA3 0.007 3.967 3.960 0.001 0.000 0.238 291 G C -0.999 174.001 174.900 0.167 0.000 1.259 291 G CA -0.297 44.929 45.100 0.210 0.000 0.843 291 G HN 0.195 nan 8.290 nan 0.000 0.582 292 Y N 1.368 121.728 120.300 0.100 0.000 2.805 292 Y HA 0.094 4.644 4.550 0.001 0.000 0.337 292 Y C 0.167 176.076 175.900 0.015 0.000 1.252 292 Y CA -0.001 58.123 58.100 0.041 0.000 1.515 292 Y CB 0.580 39.080 38.460 0.066 0.000 1.305 292 Y HN 0.474 nan 8.280 nan 0.000 0.600 293 N N 5.097 123.404 118.700 -0.654 0.000 2.577 293 N HA 0.164 4.905 4.740 0.001 0.000 0.275 293 N C 0.297 175.281 175.510 -0.876 0.000 1.091 293 N CA -0.713 51.917 53.050 -0.700 0.000 0.843 293 N CB 0.697 38.930 38.487 -0.423 0.000 1.295 293 N HN 0.803 nan 8.380 nan 0.000 0.530 294 R N 2.181 122.068 120.500 -1.022 0.000 2.293 294 R HA 0.006 4.347 4.340 0.001 0.000 0.219 294 R C -0.004 176.164 176.300 -0.221 0.000 1.091 294 R CA 0.756 56.575 56.100 -0.468 0.000 1.004 294 R CB -0.072 30.145 30.300 -0.139 0.000 0.865 294 R HN 0.346 nan 8.270 nan 0.000 0.469 295 N N 1.143 119.636 118.700 -0.345 0.000 2.416 295 N HA -0.022 4.718 4.740 0.001 0.000 0.177 295 N C -0.289 175.100 175.510 -0.203 0.000 1.036 295 N CA 0.373 53.249 53.050 -0.290 0.000 0.901 295 N CB 0.214 38.377 38.487 -0.540 0.000 0.976 295 N HN 0.419 nan 8.380 nan 0.000 0.444 296 E N 0.363 120.429 120.200 -0.223 0.000 2.324 296 E HA 0.238 4.589 4.350 0.001 0.000 0.271 296 E C 0.340 177.032 176.600 0.154 0.000 1.028 296 E CA -0.280 56.091 56.400 -0.048 0.000 0.890 296 E CB 0.906 30.545 29.700 -0.103 0.000 1.004 296 E HN 0.176 nan 8.360 nan 0.000 0.431 297 G N 3.044 112.069 108.800 0.376 0.000 2.552 297 G HA2 0.221 4.182 3.960 0.001 0.000 0.318 297 G HA3 0.221 4.182 3.960 0.001 0.000 0.318 297 G C -1.743 173.168 174.900 0.018 0.000 1.240 297 G CA -1.091 44.070 45.100 0.101 0.000 1.002 297 G HN 0.341 nan 8.290 nan 0.000 0.493 298 P HA -0.090 nan 4.420 nan 0.000 0.221 298 P C 0.854 178.083 177.300 -0.117 0.000 1.145 298 P CA 1.030 64.099 63.100 -0.051 0.000 0.795 298 P CB 0.309 31.984 31.700 -0.041 0.000 0.775 299 E N -0.506 119.541 120.200 -0.255 0.000 2.160 299 E HA -0.195 4.155 4.350 0.001 0.000 0.195 299 E C 1.840 178.229 176.600 -0.352 0.000 0.991 299 E CA 1.234 57.416 56.400 -0.363 0.000 0.810 299 E CB -1.008 28.336 29.700 -0.593 0.000 0.742 299 E HN 0.564 nan 8.360 nan 0.000 0.466 300 H N -1.141 117.904 119.070 -0.041 0.000 2.592 300 H HA 0.280 4.837 4.556 0.001 0.000 0.265 300 H C 0.615 175.923 175.328 -0.034 0.000 0.955 300 H CA 0.257 56.277 56.048 -0.047 0.000 1.175 300 H CB 0.118 29.835 29.762 -0.075 0.000 1.433 300 H HN 0.188 nan 8.280 nan 0.000 0.537 301 M N 0.999 120.633 119.600 0.055 0.000 2.471 301 M HA 0.289 4.770 4.480 0.001 0.000 0.309 301 M C 0.089 176.388 176.300 -0.001 0.000 1.186 301 M CA -0.605 54.711 55.300 0.026 0.000 1.008 301 M CB 2.018 34.624 32.600 0.010 0.000 1.551 301 M HN -0.110 nan 8.290 nan 0.000 0.477 302 L N 0.758 121.975 121.223 -0.010 0.000 2.453 302 L HA 0.267 4.608 4.340 0.001 0.000 0.261 302 L C 0.521 177.356 176.870 -0.059 0.000 1.179 302 L CA -0.349 54.470 54.840 -0.034 0.000 0.813 302 L CB 1.003 43.036 42.059 -0.043 0.000 1.110 302 L HN 0.792 nan 8.230 nan 0.000 0.466 303 S N -0.094 115.553 115.700 -0.088 0.000 2.565 303 S HA 0.268 4.739 4.470 0.001 0.000 0.290 303 S C 1.034 175.542 174.600 -0.152 0.000 1.150 303 S CA -0.956 57.182 58.200 -0.103 0.000 1.058 303 S CB 1.797 64.934 63.200 -0.104 0.000 1.032 303 S HN 0.338 nan 8.310 nan 0.000 0.510 304 V N 2.498 122.333 119.914 -0.132 0.000 2.280 304 V HA -0.300 3.820 4.120 0.001 0.000 0.258 304 V C 2.559 178.475 176.094 -0.298 0.000 1.081 304 V CA 2.713 64.915 62.300 -0.163 0.000 1.070 304 V CB -1.442 30.323 31.823 -0.097 0.000 0.666 304 V HN 0.934 nan 8.190 nan 0.000 0.450 305 E N -0.154 119.838 120.200 -0.347 0.000 2.058 305 E HA -0.245 4.106 4.350 0.001 0.000 0.194 305 E C 2.282 178.321 176.600 -0.934 0.000 0.997 305 E CA 1.549 57.562 56.400 -0.645 0.000 0.801 305 E CB -0.394 28.992 29.700 -0.523 0.000 0.746 305 E HN 0.699 nan 8.360 nan 0.000 0.450 306 Q N -0.051 119.424 119.800 -0.541 0.000 2.135 306 Q HA -0.127 4.214 4.340 0.001 0.000 0.204 306 Q C 2.280 178.100 176.000 -0.300 0.000 0.981 306 Q CA 0.898 56.489 55.803 -0.353 0.000 0.856 306 Q CB -0.165 28.475 28.738 -0.163 0.000 0.902 306 Q HN 0.310 nan 8.270 nan 0.000 0.425 307 L N 0.017 121.060 121.223 -0.299 0.000 2.027 307 L HA -0.168 4.172 4.340 0.001 0.000 0.206 307 L C 2.333 178.978 176.870 -0.374 0.000 1.074 307 L CA 0.993 55.679 54.840 -0.258 0.000 0.745 307 L CB -0.350 41.575 42.059 -0.225 0.000 0.898 307 L HN 0.147 nan 8.230 nan 0.000 0.433 308 V N -0.847 118.734 119.914 -0.554 0.000 2.343 308 V HA -0.346 3.775 4.120 0.001 0.000 0.247 308 V C 2.154 177.897 176.094 -0.585 0.000 1.051 308 V CA 1.797 63.607 62.300 -0.816 0.000 1.036 308 V CB -0.731 30.373 31.823 -1.198 0.000 0.654 308 V HN 0.396 nan 8.190 nan 0.000 0.451 309 Y N 0.077 120.117 120.300 -0.432 0.000 2.242 309 Y HA -0.227 4.323 4.550 0.001 0.000 0.291 309 Y C 2.851 178.604 175.900 -0.245 0.000 1.137 309 Y CA 1.117 59.028 58.100 -0.316 0.000 1.181 309 Y CB -0.457 37.871 38.460 -0.219 0.000 0.989 309 Y HN 0.231 nan 8.280 nan 0.000 0.527 310 T N 0.823 115.329 114.554 -0.081 0.000 2.708 310 T HA -0.208 4.142 4.350 0.001 0.000 0.266 310 T C 1.869 176.528 174.700 -0.067 0.000 1.037 310 T CA 1.362 63.429 62.100 -0.055 0.000 1.146 310 T CB -0.577 68.287 68.868 -0.006 0.000 0.865 310 T HN 0.179 nan 8.240 nan 0.000 0.435 311 L N 1.284 122.409 121.223 -0.164 0.000 2.042 311 L HA -0.055 4.285 4.340 0.001 0.000 0.210 311 L C 2.381 179.149 176.870 -0.171 0.000 1.076 311 L CA 1.505 56.231 54.840 -0.189 0.000 0.749 311 L CB -0.601 41.254 42.059 -0.340 0.000 0.893 311 L HN 0.073 nan 8.230 nan 0.000 0.432 312 V N -0.244 119.544 119.914 -0.210 0.000 2.358 312 V HA -0.299 3.822 4.120 0.001 0.000 0.246 312 V C 2.286 178.332 176.094 -0.080 0.000 1.047 312 V CA 1.969 64.176 62.300 -0.155 0.000 1.035 312 V CB -0.774 30.938 31.823 -0.185 0.000 0.658 312 V HN 0.577 nan 8.190 nan 0.000 0.452 313 D N -0.094 120.275 120.400 -0.052 0.000 2.097 313 D HA -0.163 4.478 4.640 0.001 0.000 0.195 313 D C 2.045 178.396 176.300 0.085 0.000 0.989 313 D CA 1.555 55.566 54.000 0.018 0.000 0.827 313 D CB -0.055 40.768 40.800 0.038 0.000 0.966 313 D HN 0.174 nan 8.370 nan 0.000 0.456 314 V N -0.098 119.858 119.914 0.070 0.000 2.233 314 V HA -0.256 3.864 4.120 0.001 0.000 0.247 314 V C 2.611 178.675 176.094 -0.050 0.000 1.050 314 V CA 1.574 63.895 62.300 0.034 0.000 1.010 314 V CB -0.583 31.211 31.823 -0.048 0.000 0.637 314 V HN 0.185 nan 8.190 nan 0.000 0.444 315 V N 1.074 120.939 119.914 -0.081 0.000 2.392 315 V HA -0.262 3.858 4.120 0.001 0.000 0.249 315 V C 2.726 178.817 176.094 -0.005 0.000 1.059 315 V CA 2.352 64.603 62.300 -0.082 0.000 1.051 315 V CB -0.936 30.830 31.823 -0.095 0.000 0.658 315 V HN 0.800 nan 8.190 nan 0.000 0.455 316 S N 0.188 115.907 115.700 0.031 0.000 2.399 316 S HA -0.206 4.264 4.470 0.001 0.000 0.231 316 S C 1.613 176.293 174.600 0.133 0.000 1.022 316 S CA 1.210 59.465 58.200 0.091 0.000 0.983 316 S CB -0.449 62.797 63.200 0.076 0.000 0.803 316 S HN 0.677 nan 8.310 nan 0.000 0.480 317 K N 1.063 121.557 120.400 0.157 0.000 2.551 317 K HA 0.309 4.630 4.320 0.001 0.000 0.204 317 K C 1.054 177.859 176.600 0.341 0.000 1.033 317 K CA 0.296 56.727 56.287 0.240 0.000 1.187 317 K CB -0.260 32.425 32.500 0.309 0.000 0.900 317 K HN 0.554 nan 8.250 nan 0.000 0.499 318 G N 0.930 109.825 108.800 0.160 0.000 2.148 318 G HA2 -0.257 3.703 3.960 0.001 0.000 0.254 318 G HA3 -0.257 3.703 3.960 0.001 0.000 0.254 318 G C 0.354 175.155 174.900 -0.165 0.000 0.981 318 G CA 0.027 45.179 45.100 0.087 0.000 0.670 318 G HN 0.531 nan 8.290 nan 0.000 0.528 319 G N -0.924 107.583 108.800 -0.489 0.000 2.521 319 G HA2 0.593 4.553 3.960 0.001 0.000 0.323 319 G HA3 0.593 4.553 3.960 0.001 0.000 0.323 319 G C -0.566 173.974 174.900 -0.600 0.000 1.211 319 G CA -0.625 43.814 45.100 -1.101 0.000 0.979 319 G HN 0.243 nan 8.290 nan 0.000 0.490 320 N N -1.033 117.326 118.700 -0.569 0.000 2.361 320 N HA 0.474 5.215 4.740 0.001 0.000 0.302 320 N C -1.055 174.346 175.510 -0.180 0.000 1.074 320 N CA -0.593 52.261 53.050 -0.327 0.000 0.850 320 N CB 2.146 40.373 38.487 -0.433 0.000 1.228 320 N HN 0.369 nan 8.380 nan 0.000 0.491 321 L N 2.198 123.406 121.223 -0.025 0.000 2.275 321 L HA 0.538 4.878 4.340 0.001 0.000 0.288 321 L C -1.183 175.731 176.870 0.075 0.000 1.046 321 L CA -0.593 54.303 54.840 0.094 0.000 0.805 321 L CB 0.722 42.859 42.059 0.129 0.000 1.193 321 L HN 0.421 nan 8.230 nan 0.000 0.426 322 L N 6.386 127.607 121.223 -0.004 0.000 2.371 322 L HA 0.471 4.812 4.340 0.001 0.000 0.262 322 L C -1.046 175.767 176.870 -0.096 0.000 1.054 322 L CA -0.313 54.433 54.840 -0.157 0.000 0.924 322 L CB 0.809 42.721 42.059 -0.245 0.000 1.295 322 L HN 0.703 nan 8.230 nan 0.000 0.441 323 L N 4.182 125.385 121.223 -0.035 0.000 2.319 323 L HA 0.405 4.746 4.340 0.001 0.000 0.280 323 L C 0.020 176.868 176.870 -0.036 0.000 1.099 323 L CA 0.294 55.129 54.840 -0.007 0.000 0.828 323 L CB 0.785 42.928 42.059 0.140 0.000 1.150 323 L HN 0.713 nan 8.230 nan 0.000 0.442 324 N N 3.192 121.872 118.700 -0.033 0.000 2.518 324 N HA 0.473 5.213 4.740 0.001 0.000 0.283 324 N C -1.374 174.067 175.510 -0.114 0.000 1.119 324 N CA -0.418 52.625 53.050 -0.012 0.000 0.983 324 N CB 1.251 39.701 38.487 -0.061 0.000 1.139 324 N HN 0.419 nan 8.380 nan 0.000 0.465 325 V N 1.565 121.410 119.914 -0.115 0.000 2.495 325 V HA 0.632 4.753 4.120 0.001 0.000 0.298 325 V C 0.459 176.490 176.094 -0.105 0.000 1.031 325 V CA -0.752 61.463 62.300 -0.142 0.000 0.871 325 V CB 1.593 33.283 31.823 -0.222 0.000 0.988 325 V HN 0.840 nan 8.190 nan 0.000 0.432 326 G N 5.743 114.506 108.800 -0.061 0.000 3.102 326 G HA2 0.580 4.540 3.960 0.001 0.000 0.345 326 G HA3 0.580 4.540 3.960 0.001 0.000 0.345 326 G C -2.875 172.042 174.900 0.028 0.000 1.200 326 G CA -1.343 43.782 45.100 0.042 0.000 1.163 326 G HN 0.495 nan 8.290 nan 0.000 0.465 327 P HA 0.131 nan 4.420 nan 0.000 0.269 327 P C 0.186 177.496 177.300 0.018 0.000 1.215 327 P CA -0.053 62.950 63.100 -0.162 0.000 0.780 327 P CB 1.038 32.427 31.700 -0.518 0.000 0.898 328 K N 0.745 121.104 120.400 -0.067 0.000 2.126 328 K HA 0.267 4.588 4.320 0.001 0.000 0.257 328 K C 1.884 178.707 176.600 0.373 0.000 1.007 328 K CA -0.087 56.176 56.287 -0.041 0.000 0.928 328 K CB 0.097 32.486 32.500 -0.185 0.000 1.013 328 K HN 0.511 nan 8.250 nan 0.000 0.473 329 G N 1.516 110.485 108.800 0.281 0.000 2.475 329 G HA2 -0.286 3.675 3.960 0.001 0.000 0.220 329 G HA3 -0.286 3.675 3.960 0.001 0.000 0.220 329 G C 0.830 176.012 174.900 0.469 0.000 1.125 329 G CA 1.332 46.643 45.100 0.351 0.000 0.755 329 G HN 0.850 nan 8.290 nan 0.000 0.565 330 D N -0.513 120.084 120.400 0.329 0.000 2.324 330 D HA 0.238 4.879 4.640 0.001 0.000 0.235 330 D C 1.692 178.215 176.300 0.372 0.000 1.095 330 D CA 0.540 54.711 54.000 0.285 0.000 0.871 330 D CB -0.607 40.303 40.800 0.184 0.000 0.906 330 D HN 0.495 nan 8.370 nan 0.000 0.522 331 G N 0.137 109.278 108.800 0.569 0.000 2.184 331 G HA2 -0.302 3.659 3.960 0.001 0.000 0.264 331 G HA3 -0.302 3.659 3.960 0.001 0.000 0.264 331 G C 0.550 175.725 174.900 0.458 0.000 0.975 331 G CA 0.751 46.169 45.100 0.529 0.000 0.642 331 G HN 0.801 nan 8.290 nan 0.000 0.536 332 T N -0.853 113.879 114.554 0.297 0.000 2.899 332 T HA 0.687 5.038 4.350 0.001 0.000 0.284 332 T C 0.455 175.217 174.700 0.104 0.000 1.004 332 T CA -0.683 61.552 62.100 0.224 0.000 1.043 332 T CB 2.031 70.967 68.868 0.113 0.000 1.013 332 T HN 0.444 nan 8.240 nan 0.000 0.518 333 I N 2.814 123.416 120.570 0.052 0.000 2.312 333 I HA 0.284 4.455 4.170 0.001 0.000 0.290 333 I C -2.213 173.861 176.117 -0.072 0.000 1.008 333 I CA -2.649 58.600 61.300 -0.085 0.000 1.226 333 I CB 1.344 39.248 38.000 -0.161 0.000 1.371 333 I HN 0.441 nan 8.210 nan 0.000 0.468 334 P HA -0.043 nan 4.420 nan 0.000 0.261 334 P C 0.144 177.438 177.300 -0.010 0.000 1.173 334 P CA 0.178 63.242 63.100 -0.061 0.000 0.760 334 P CB 0.556 32.233 31.700 -0.038 0.000 0.783 335 D N 2.141 122.546 120.400 0.007 0.000 2.157 335 D HA -0.199 4.442 4.640 0.001 0.000 0.191 335 D C 1.818 178.128 176.300 0.017 0.000 1.004 335 D CA 1.441 55.449 54.000 0.014 0.000 0.854 335 D CB -0.378 40.434 40.800 0.021 0.000 0.936 335 D HN 0.375 nan 8.370 nan 0.000 0.446 336 L N 0.111 121.350 121.223 0.028 0.000 2.081 336 L HA -0.247 4.094 4.340 0.001 0.000 0.212 336 L C 2.458 179.336 176.870 0.014 0.000 1.080 336 L CA 1.345 56.199 54.840 0.024 0.000 0.754 336 L CB -0.335 41.747 42.059 0.039 0.000 0.893 336 L HN 0.159 nan 8.230 nan 0.000 0.433 337 Q N -0.625 119.182 119.800 0.012 0.000 2.137 337 Q HA -0.190 4.151 4.340 0.001 0.000 0.198 337 Q C 2.188 178.189 176.000 0.001 0.000 0.960 337 Q CA 0.961 56.763 55.803 -0.001 0.000 0.847 337 Q CB 0.041 28.771 28.738 -0.015 0.000 0.915 337 Q HN 0.352 nan 8.270 nan 0.000 0.448 338 K N 1.258 121.657 120.400 -0.002 0.000 2.032 338 K HA -0.205 4.115 4.320 0.001 0.000 0.209 338 K C 1.802 178.412 176.600 0.017 0.000 1.048 338 K CA 1.495 57.785 56.287 0.005 0.000 0.927 338 K CB 0.134 32.632 32.500 -0.003 0.000 0.712 338 K HN 0.160 nan 8.250 nan 0.000 0.441 339 E N -0.161 120.047 120.200 0.013 0.000 2.077 339 E HA -0.193 4.157 4.350 0.001 0.000 0.193 339 E C 2.156 178.764 176.600 0.014 0.000 0.989 339 E CA 1.194 57.603 56.400 0.015 0.000 0.800 339 E CB 0.032 29.739 29.700 0.010 0.000 0.746 339 E HN 0.240 nan 8.360 nan 0.000 0.452 340 R N 0.440 120.943 120.500 0.006 0.000 2.081 340 R HA -0.090 4.251 4.340 0.001 0.000 0.235 340 R C 2.515 178.824 176.300 0.015 0.000 1.131 340 R CA 0.844 56.942 56.100 -0.004 0.000 0.960 340 R CB -0.345 29.944 30.300 -0.019 0.000 0.856 340 R HN 0.178 nan 8.270 nan 0.000 0.436 341 L N 0.722 121.969 121.223 0.040 0.000 2.013 341 L HA -0.252 4.088 4.340 0.001 0.000 0.212 341 L C 2.381 179.311 176.870 0.099 0.000 1.073 341 L CA 1.492 56.387 54.840 0.091 0.000 0.753 341 L CB -0.411 41.716 42.059 0.114 0.000 0.890 341 L HN 0.238 nan 8.230 nan 0.000 0.432 342 L N -0.959 120.308 121.223 0.074 0.000 2.017 342 L HA -0.153 4.188 4.340 0.001 0.000 0.208 342 L C 2.678 179.591 176.870 0.071 0.000 1.073 342 L CA 1.396 56.280 54.840 0.073 0.000 0.745 342 L CB -1.332 40.758 42.059 0.050 0.000 0.894 342 L HN 0.328 nan 8.230 nan 0.000 0.432 343 G N 0.593 109.423 108.800 0.049 0.000 2.599 343 G HA2 -0.358 3.603 3.960 0.001 0.000 0.219 343 G HA3 -0.358 3.603 3.960 0.001 0.000 0.219 343 G C 1.536 176.484 174.900 0.081 0.000 1.193 343 G CA 1.268 46.397 45.100 0.049 0.000 0.778 343 G HN 0.231 nan 8.290 nan 0.000 0.589 344 L N 1.884 123.133 121.223 0.043 0.000 2.013 344 L HA 0.029 4.370 4.340 0.001 0.000 0.212 344 L C 2.875 179.823 176.870 0.129 0.000 1.073 344 L CA 2.565 57.425 54.840 0.034 0.000 0.753 344 L CB -1.228 40.779 42.059 -0.088 0.000 0.890 344 L HN 0.217 nan 8.230 nan 0.000 0.432 345 G N -1.347 107.535 108.800 0.136 0.000 2.440 345 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 345 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 345 G C 1.483 176.471 174.900 0.146 0.000 1.154 345 G CA 0.896 46.096 45.100 0.167 0.000 0.767 345 G HN 0.527 nan 8.290 nan 0.000 0.552 346 E N -0.821 119.456 120.200 0.129 0.000 2.051 346 E HA -0.166 4.184 4.350 0.001 0.000 0.192 346 E C 2.014 178.684 176.600 0.117 0.000 0.991 346 E CA 1.052 57.514 56.400 0.104 0.000 0.799 346 E CB -0.262 29.498 29.700 0.100 0.000 0.748 346 E HN 0.628 nan 8.360 nan 0.000 0.449 347 W N 1.120 122.446 121.300 0.043 0.000 2.335 347 W HA -0.175 4.486 4.660 0.001 0.000 0.311 347 W C 1.720 178.305 176.519 0.110 0.000 1.213 347 W CA 1.354 58.761 57.345 0.103 0.000 1.274 347 W CB -0.226 29.259 29.460 0.041 0.000 1.148 347 W HN 0.005 nan 8.180 nan 0.000 0.498 348 L N 0.316 121.651 121.223 0.186 0.000 2.191 348 L HA -0.164 4.177 4.340 0.001 0.000 0.212 348 L C 2.766 179.609 176.870 -0.044 0.000 1.103 348 L CA 1.220 56.078 54.840 0.029 0.000 0.769 348 L CB -0.721 41.448 42.059 0.183 0.000 0.908 348 L HN -0.041 nan 8.230 nan 0.000 0.438 349 R N 0.091 120.580 120.500 -0.019 0.000 2.148 349 R HA -0.151 4.190 4.340 0.001 0.000 0.227 349 R C 2.047 178.260 176.300 -0.144 0.000 1.103 349 R CA 1.241 57.324 56.100 -0.028 0.000 0.983 349 R CB 0.154 30.449 30.300 -0.008 0.000 0.874 349 R HN 0.307 nan 8.270 nan 0.000 0.451 350 K N -1.373 118.841 120.400 -0.311 0.000 2.078 350 K HA -0.034 4.287 4.320 0.001 0.000 0.203 350 K C 1.227 177.500 176.600 -0.545 0.000 1.043 350 K CA 1.052 57.032 56.287 -0.513 0.000 0.960 350 K CB 0.121 32.127 32.500 -0.823 0.000 0.761 350 K HN 0.132 nan 8.250 nan 0.000 0.448 351 Y N -0.002 119.937 120.300 -0.602 0.000 2.457 351 Y HA 0.221 4.771 4.550 0.001 0.000 0.263 351 Y C 1.945 177.467 175.900 -0.631 0.000 1.164 351 Y CA -0.117 57.537 58.100 -0.745 0.000 1.274 351 Y CB -0.177 37.431 38.460 -1.422 0.000 1.097 351 Y HN 0.107 nan 8.280 nan 0.000 0.523 352 G N 0.371 108.995 108.800 -0.294 0.000 2.550 352 G HA2 -0.387 3.574 3.960 0.001 0.000 0.222 352 G HA3 -0.387 3.574 3.960 0.001 0.000 0.222 352 G C 1.321 176.143 174.900 -0.130 0.000 1.113 352 G CA 1.647 46.624 45.100 -0.205 0.000 0.748 352 G HN 0.369 nan 8.290 nan 0.000 0.585 353 D N 0.276 120.657 120.400 -0.033 0.000 2.350 353 D HA 0.162 4.802 4.640 0.001 0.000 0.216 353 D C 2.191 178.200 176.300 -0.485 0.000 0.968 353 D CA 0.927 54.915 54.000 -0.021 0.000 0.894 353 D CB -0.190 40.733 40.800 0.205 0.000 0.909 353 D HN 0.277 nan 8.370 nan 0.000 0.520 354 A N -0.496 121.796 122.820 -0.881 0.000 2.460 354 A HA 0.269 4.590 4.320 0.001 0.000 0.258 354 A C 1.137 178.260 177.584 -0.767 0.000 1.300 354 A CA -0.180 50.840 52.037 -1.695 0.000 0.913 354 A CB 0.030 18.109 19.000 -1.535 0.000 1.031 354 A HN 0.185 nan 8.150 nan 0.000 0.512 355 I N -2.414 117.861 120.570 -0.492 0.000 3.620 355 I HA 0.157 4.328 4.170 0.001 0.000 0.255 355 I C 0.335 176.321 176.117 -0.218 0.000 1.124 355 I CA 0.089 61.186 61.300 -0.338 0.000 1.526 355 I CB -1.218 36.532 38.000 -0.418 0.000 1.681 355 I HN 0.274 nan 8.210 nan 0.000 0.420 356 Y N 1.911 122.181 120.300 -0.051 0.000 2.550 356 Y HA 0.298 4.848 4.550 0.001 0.000 0.343 356 Y C 1.770 177.669 175.900 -0.002 0.000 1.245 356 Y CA 0.956 59.055 58.100 -0.003 0.000 1.462 356 Y CB 0.004 38.479 38.460 0.026 0.000 1.340 356 Y HN 0.516 nan 8.280 nan 0.000 0.604 357 G N 0.758 109.671 108.800 0.189 0.000 2.216 357 G HA2 -0.353 3.608 3.960 0.001 0.000 0.269 357 G HA3 -0.353 3.608 3.960 0.001 0.000 0.269 357 G C 0.295 175.259 174.900 0.107 0.000 0.981 357 G CA 0.686 45.864 45.100 0.130 0.000 0.658 357 G HN 0.940 nan 8.290 nan 0.000 0.539 358 T N -2.244 112.358 114.554 0.080 0.000 2.824 358 T HA 0.727 5.078 4.350 0.001 0.000 0.277 358 T C 0.278 175.034 174.700 0.093 0.000 0.975 358 T CA 0.371 62.532 62.100 0.101 0.000 0.966 358 T CB 2.071 70.984 68.868 0.075 0.000 1.054 358 T HN 0.497 nan 8.240 nan 0.000 0.533 359 S N -0.242 115.533 115.700 0.126 0.000 2.632 359 S HA 0.660 5.130 4.470 0.001 0.000 0.289 359 S C 0.096 174.790 174.600 0.157 0.000 1.115 359 S CA -0.749 57.523 58.200 0.120 0.000 0.889 359 S CB 1.566 64.838 63.200 0.120 0.000 1.116 359 S HN 1.044 nan 8.310 nan 0.000 0.486 360 V N 0.101 120.104 119.914 0.148 0.000 3.051 360 V HA 0.530 4.651 4.120 0.001 0.000 0.306 360 V C -0.149 176.103 176.094 0.265 0.000 1.083 360 V CA -0.330 62.083 62.300 0.189 0.000 1.104 360 V CB 0.300 32.204 31.823 0.135 0.000 1.027 360 V HN 0.881 nan 8.190 nan 0.000 0.483 361 W N 1.166 122.503 121.300 0.062 0.000 2.615 361 W HA 0.498 5.159 4.660 0.002 0.000 0.423 361 W C 1.503 178.017 176.519 -0.009 0.000 1.666 361 W CA -0.598 56.761 57.345 0.023 0.000 1.717 361 W CB 1.174 30.649 29.460 0.027 0.000 1.696 361 W HN 0.703 nan 8.180 nan 0.000 0.701 362 E N 0.799 120.427 120.200 -0.952 0.000 2.160 362 E HA -0.149 4.202 4.350 0.001 0.000 0.195 362 E C 0.278 176.579 176.600 -0.498 0.000 0.991 362 E CA 1.315 57.259 56.400 -0.761 0.000 0.810 362 E CB -0.033 29.034 29.700 -1.055 0.000 0.742 362 E HN 0.373 nan 8.360 nan 0.000 0.466 363 R N -0.752 119.458 120.500 -0.483 0.000 2.774 363 R HA 0.403 4.744 4.340 0.001 0.000 0.272 363 R C 0.906 177.348 176.300 0.237 0.000 1.000 363 R CA -0.245 55.781 56.100 -0.123 0.000 0.906 363 R CB 0.740 30.934 30.300 -0.176 0.000 1.227 363 R HN 0.048 nan 8.270 nan 0.000 0.468 364 C N -2.047 117.404 119.300 0.251 0.000 2.791 364 C HA 0.544 5.005 4.460 0.001 0.000 0.288 364 C C 0.367 175.550 174.990 0.321 0.000 1.271 364 C CA -0.235 58.965 59.018 0.305 0.000 1.726 364 C CB -0.841 26.990 27.740 0.152 0.000 2.145 364 C HN 0.622 nan 8.230 nan 0.000 0.572 365 C N 1.189 120.683 119.300 0.323 0.000 2.994 365 C HA 0.954 5.415 4.460 0.001 0.000 0.304 365 C C 0.197 175.344 174.990 0.261 0.000 1.273 365 C CA 0.399 59.523 59.018 0.177 0.000 1.537 365 C CB 0.998 28.778 27.740 0.066 0.000 2.001 365 C HN 0.930 nan 8.230 nan 0.000 0.471 366 A N 1.499 124.361 122.820 0.070 0.000 2.540 366 A HA 0.959 5.279 4.320 0.001 0.000 0.291 366 A C -1.689 175.860 177.584 -0.058 0.000 1.083 366 A CA -0.618 51.473 52.037 0.090 0.000 0.650 366 A CB 1.396 20.568 19.000 0.287 0.000 1.292 366 A HN 1.054 nan 8.150 nan 0.000 0.435 367 K N -0.901 119.483 120.400 -0.027 0.000 2.548 367 K HA 0.770 5.091 4.320 0.001 0.000 0.282 367 K C -0.606 175.992 176.600 -0.004 0.000 1.006 367 K CA -0.136 56.120 56.287 -0.053 0.000 0.892 367 K CB 1.521 33.999 32.500 -0.036 0.000 1.499 367 K HN 1.028 nan 8.250 nan 0.000 0.433 368 T N -2.143 112.421 114.554 0.018 0.000 2.927 368 T HA 0.175 4.526 4.350 0.001 0.000 0.281 368 T C 1.061 175.791 174.700 0.049 0.000 0.998 368 T CA -0.448 61.691 62.100 0.066 0.000 1.019 368 T CB 1.559 70.498 68.868 0.118 0.000 1.061 368 T HN 0.817 nan 8.240 nan 0.000 0.518 369 E N 0.621 120.854 120.200 0.056 0.000 2.130 369 E HA -0.222 4.129 4.350 0.001 0.000 0.196 369 E C 1.484 178.104 176.600 0.034 0.000 0.998 369 E CA 2.001 58.426 56.400 0.042 0.000 0.806 369 E CB -0.149 29.579 29.700 0.046 0.000 0.738 369 E HN 0.786 nan 8.360 nan 0.000 0.459 370 D N -1.838 118.586 120.400 0.039 0.000 2.363 370 D HA -0.012 4.629 4.640 0.001 0.000 0.220 370 D C 1.097 177.410 176.300 0.021 0.000 0.994 370 D CA 0.836 54.854 54.000 0.030 0.000 0.890 370 D CB 0.425 41.245 40.800 0.034 0.000 0.906 370 D HN 0.342 nan 8.370 nan 0.000 0.530 371 G N 0.873 109.684 108.800 0.018 0.000 2.130 371 G HA2 -0.215 3.746 3.960 0.001 0.000 0.216 371 G HA3 -0.215 3.746 3.960 0.001 0.000 0.216 371 G C 0.111 175.004 174.900 -0.012 0.000 0.999 371 G CA 0.051 45.152 45.100 0.001 0.000 0.686 371 G HN 0.336 nan 8.290 nan 0.000 0.515 372 T N 1.760 116.315 114.554 0.002 0.000 2.771 372 T HA 0.501 4.852 4.350 0.001 0.000 0.291 372 T C 0.116 174.771 174.700 -0.076 0.000 0.954 372 T CA -0.469 61.622 62.100 -0.015 0.000 1.045 372 T CB 1.875 70.789 68.868 0.077 0.000 0.917 372 T HN 0.234 nan 8.240 nan 0.000 0.484 373 E N 2.557 122.668 120.200 -0.148 0.000 2.354 373 E HA 0.320 4.671 4.350 0.001 0.000 0.269 373 E C -0.193 176.218 176.600 -0.314 0.000 1.036 373 E CA -0.051 56.226 56.400 -0.205 0.000 0.876 373 E CB 1.132 30.708 29.700 -0.205 0.000 1.009 373 E HN 0.534 nan 8.360 nan 0.000 0.416 374 I N 2.991 123.326 120.570 -0.392 0.000 2.545 374 I HA 0.348 4.519 4.170 0.001 0.000 0.292 374 I C 0.086 175.815 176.117 -0.646 0.000 1.040 374 I CA -0.881 60.024 61.300 -0.657 0.000 1.068 374 I CB 1.509 38.989 38.000 -0.867 0.000 1.251 374 I HN 0.034 nan 8.210 nan 0.000 0.424 375 R N 4.626 124.710 120.500 -0.693 0.000 2.740 375 R HA 0.648 4.989 4.340 0.001 0.000 0.282 375 R C -1.417 174.486 176.300 -0.662 0.000 0.969 375 R CA -0.878 54.917 56.100 -0.508 0.000 0.918 375 R CB 1.990 32.138 30.300 -0.253 0.000 1.175 375 R HN 0.370 nan 8.270 nan 0.000 0.464 376 F N -0.161 119.805 119.950 0.026 0.000 2.538 376 F HA 0.611 5.139 4.527 0.001 0.000 0.325 376 F C 0.748 176.604 175.800 0.093 0.000 1.066 376 F CA -0.512 57.515 58.000 0.046 0.000 0.946 376 F CB 2.331 41.453 39.000 0.203 0.000 1.199 376 F HN 0.470 nan 8.300 nan 0.000 0.473 377 T N -0.662 114.058 114.554 0.276 0.000 2.894 377 T HA 0.639 4.990 4.350 0.001 0.000 0.309 377 T C -1.194 173.669 174.700 0.272 0.000 1.208 377 T CA -1.074 61.181 62.100 0.259 0.000 1.016 377 T CB 2.439 71.415 68.868 0.181 0.000 1.192 377 T HN 0.808 nan 8.240 nan 0.000 0.491 378 R N 0.070 120.726 120.500 0.260 0.000 2.854 378 R HA 0.766 5.106 4.340 0.001 0.000 0.271 378 R C -1.580 174.873 176.300 0.255 0.000 0.994 378 R CA -0.965 55.243 56.100 0.179 0.000 0.945 378 R CB 1.663 32.068 30.300 0.173 0.000 1.194 378 R HN 0.744 nan 8.270 nan 0.000 0.476 379 K N 2.734 123.245 120.400 0.185 0.000 2.761 379 K HA 0.261 4.581 4.320 0.001 0.000 0.257 379 K C -0.552 176.102 176.600 0.091 0.000 1.053 379 K CA -0.436 55.976 56.287 0.210 0.000 1.035 379 K CB 0.530 33.270 32.500 0.400 0.000 1.267 379 K HN 0.847 nan 8.250 nan 0.000 0.505 380 C N 1.658 121.008 119.300 0.084 0.000 5.479 380 C HA -0.368 4.093 4.460 0.001 0.000 0.305 380 C C 1.611 176.616 174.990 0.025 0.000 2.266 380 C CA 1.998 61.049 59.018 0.055 0.000 2.053 380 C CB -1.463 26.307 27.740 0.050 0.000 3.233 380 C HN 1.054 nan 8.230 nan 0.000 0.475 381 N N 1.249 119.946 118.700 -0.005 0.000 2.280 381 N HA 0.184 4.925 4.740 0.001 0.000 0.192 381 N C 0.225 175.667 175.510 -0.113 0.000 1.109 381 N CA 0.252 53.282 53.050 -0.033 0.000 0.855 381 N CB -0.079 38.397 38.487 -0.018 0.000 0.974 381 N HN 0.658 nan 8.380 nan 0.000 0.482 382 R N 0.567 120.966 120.500 -0.169 0.000 2.404 382 R HA 0.472 4.813 4.340 0.001 0.000 0.291 382 R C -0.480 175.500 176.300 -0.532 0.000 1.025 382 R CA -0.402 55.476 56.100 -0.370 0.000 0.991 382 R CB 1.430 31.465 30.300 -0.441 0.000 1.053 382 R HN 0.117 nan 8.270 nan 0.000 0.479 383 I N 3.561 123.736 120.570 -0.657 0.000 2.439 383 I HA 0.259 4.429 4.170 0.001 0.000 0.285 383 I C -0.806 174.938 176.117 -0.622 0.000 1.021 383 I CA -0.631 60.264 61.300 -0.676 0.000 1.091 383 I CB 1.180 38.708 38.000 -0.788 0.000 1.242 383 I HN 0.386 nan 8.210 nan 0.000 0.439 384 F N 5.572 125.428 119.950 -0.156 0.000 2.396 384 F HA 0.397 4.924 4.527 0.001 0.000 0.343 384 F C 0.345 176.087 175.800 -0.096 0.000 1.104 384 F CA -0.715 57.216 58.000 -0.116 0.000 1.161 384 F CB 1.241 40.155 39.000 -0.145 0.000 1.146 384 F HN 0.032 nan 8.300 nan 0.000 0.522 385 V N 5.469 125.422 119.914 0.066 0.000 2.350 385 V HA 0.386 4.507 4.120 0.001 0.000 0.285 385 V C -0.160 175.889 176.094 -0.074 0.000 1.014 385 V CA -0.635 61.623 62.300 -0.069 0.000 0.831 385 V CB 1.167 33.017 31.823 0.044 0.000 1.000 385 V HN 0.547 nan 8.190 nan 0.000 0.433 386 I N 5.300 125.715 120.570 -0.259 0.000 2.355 386 I HA 0.468 4.639 4.170 0.001 0.000 0.288 386 I C -0.739 175.229 176.117 -0.249 0.000 0.999 386 I CA -0.296 60.917 61.300 -0.144 0.000 1.163 386 I CB 1.359 39.273 38.000 -0.144 0.000 1.316 386 I HN 0.354 nan 8.210 nan 0.000 0.454 387 F N 5.750 125.574 119.950 -0.210 0.000 2.394 387 F HA 0.341 4.868 4.527 0.001 0.000 0.340 387 F C 0.605 176.239 175.800 -0.276 0.000 1.105 387 F CA -0.704 57.165 58.000 -0.218 0.000 1.124 387 F CB 0.925 39.843 39.000 -0.137 0.000 1.145 387 F HN 0.236 nan 8.300 nan 0.000 0.505 388 L N 4.161 125.216 121.223 -0.281 0.000 2.480 388 L HA 0.516 4.857 4.340 0.001 0.000 0.243 388 L C 0.523 177.021 176.870 -0.620 0.000 1.315 388 L CA -0.224 54.140 54.840 -0.792 0.000 1.231 388 L CB -1.301 40.098 42.059 -1.099 0.000 1.444 388 L HN 0.881 nan 8.230 nan 0.000 0.409 389 G N 1.567 110.296 108.800 -0.118 0.000 2.369 389 G HA2 0.114 4.075 3.960 0.001 0.000 0.307 389 G HA3 0.114 4.075 3.960 0.001 0.000 0.307 389 G C -1.339 173.597 174.900 0.061 0.000 1.327 389 G CA -0.946 44.188 45.100 0.058 0.000 0.963 389 G HN 0.052 nan 8.290 nan 0.000 0.590 390 I N 1.313 121.912 120.570 0.048 0.000 2.411 390 I HA 0.329 4.499 4.170 0.001 0.000 0.284 390 I C -2.213 173.889 176.117 -0.025 0.000 1.012 390 I CA -1.619 59.679 61.300 -0.002 0.000 1.119 390 I CB 1.095 39.114 38.000 0.033 0.000 1.261 390 I HN 0.196 nan 8.210 nan 0.000 0.448 391 P HA 0.127 nan 4.420 nan 0.000 0.267 391 P C 1.152 178.429 177.300 -0.038 0.000 1.200 391 P CA -0.051 63.016 63.100 -0.054 0.000 0.772 391 P CB 0.700 32.341 31.700 -0.098 0.000 0.855 392 T N -0.630 113.916 114.554 -0.015 0.000 2.701 392 T HA 0.014 4.365 4.350 0.001 0.000 0.263 392 T C 1.123 175.816 174.700 -0.012 0.000 1.040 392 T CA 0.881 62.976 62.100 -0.008 0.000 1.147 392 T CB -0.960 67.909 68.868 0.002 0.000 0.865 392 T HN 0.512 nan 8.240 nan 0.000 0.426 393 G N 0.372 109.166 108.800 -0.010 0.000 2.477 393 G HA2 0.429 4.389 3.960 0.001 0.000 0.304 393 G HA3 0.429 4.389 3.960 0.001 0.000 0.304 393 G C 0.210 175.100 174.900 -0.017 0.000 1.175 393 G CA -0.665 44.430 45.100 -0.008 0.000 0.907 393 G HN 0.451 nan 8.290 nan 0.000 0.509 394 E N -0.477 119.716 120.200 -0.012 0.000 2.427 394 E HA -0.015 4.336 4.350 0.001 0.000 0.196 394 E C 0.785 177.385 176.600 0.001 0.000 1.028 394 E CA 0.361 56.752 56.400 -0.015 0.000 0.864 394 E CB 0.312 30.005 29.700 -0.012 0.000 0.813 394 E HN 0.309 nan 8.360 nan 0.000 0.514 395 K N 1.876 122.283 120.400 0.011 0.000 2.263 395 K HA 0.313 4.634 4.320 0.001 0.000 0.272 395 K C -1.026 175.597 176.600 0.039 0.000 1.033 395 K CA -0.218 56.087 56.287 0.029 0.000 0.884 395 K CB 0.606 33.124 32.500 0.030 0.000 1.107 395 K HN -0.052 nan 8.250 nan 0.000 0.460 396 I N 4.307 124.913 120.570 0.061 0.000 2.433 396 I HA 0.244 4.415 4.170 0.001 0.000 0.292 396 I C -0.648 175.544 176.117 0.125 0.000 1.001 396 I CA -1.212 60.144 61.300 0.093 0.000 1.119 396 I CB 2.134 40.198 38.000 0.106 0.000 1.289 396 I HN 0.215 nan 8.210 nan 0.000 0.438 397 V N 7.323 127.311 119.914 0.123 0.000 2.326 397 V HA 0.411 4.532 4.120 0.001 0.000 0.281 397 V C 0.081 176.251 176.094 0.126 0.000 1.015 397 V CA -0.433 61.936 62.300 0.115 0.000 0.823 397 V CB 1.294 33.166 31.823 0.081 0.000 1.009 397 V HN 0.471 nan 8.190 nan 0.000 0.436 398 I N 3.987 124.641 120.570 0.140 0.000 2.342 398 I HA 0.354 4.524 4.170 0.001 0.000 0.291 398 I C 0.536 176.715 176.117 0.102 0.000 1.010 398 I CA -0.343 61.032 61.300 0.125 0.000 1.308 398 I CB 1.160 39.250 38.000 0.150 0.000 1.400 398 I HN 0.586 nan 8.210 nan 0.000 0.488 399 E N 5.406 125.654 120.200 0.079 0.000 2.313 399 E HA 0.091 4.441 4.350 0.001 0.000 0.276 399 E C -0.749 175.892 176.600 0.068 0.000 1.031 399 E CA -0.311 56.127 56.400 0.065 0.000 0.857 399 E CB 0.518 30.246 29.700 0.046 0.000 1.040 399 E HN 0.498 nan 8.360 nan 0.000 0.408 400 D N 1.434 121.868 120.400 0.056 0.000 2.699 400 D HA -0.199 4.442 4.640 0.001 0.000 0.239 400 D C -1.055 175.279 176.300 0.056 0.000 1.136 400 D CA 0.734 54.761 54.000 0.046 0.000 0.668 400 D CB -1.092 39.729 40.800 0.035 0.000 1.060 400 D HN 0.118 nan 8.370 nan 0.000 0.429 401 L N 0.132 121.399 121.223 0.073 0.000 2.526 401 L HA 0.469 4.810 4.340 0.001 0.000 0.263 401 L C -1.167 175.760 176.870 0.095 0.000 0.943 401 L CA -0.349 54.542 54.840 0.085 0.000 0.859 401 L CB 1.909 44.050 42.059 0.136 0.000 1.313 401 L HN 0.051 nan 8.230 nan 0.000 0.406 402 N N 4.273 123.024 118.700 0.086 0.000 2.312 402 N HA 0.825 5.565 4.740 0.001 0.000 0.296 402 N C -1.744 173.843 175.510 0.129 0.000 1.193 402 N CA -0.819 52.294 53.050 0.106 0.000 0.773 402 N CB 2.317 40.848 38.487 0.072 0.000 1.435 402 N HN 0.411 nan 8.380 nan 0.000 0.484 403 L N 0.507 121.834 121.223 0.173 0.000 2.409 403 L HA 0.359 4.700 4.340 0.001 0.000 0.262 403 L C 0.511 177.499 176.870 0.197 0.000 0.992 403 L CA -0.403 54.543 54.840 0.177 0.000 0.817 403 L CB 2.236 44.389 42.059 0.158 0.000 1.350 403 L HN 0.662 nan 8.230 nan 0.000 0.411 404 S N -0.422 115.366 115.700 0.148 0.000 2.539 404 S HA 0.132 4.603 4.470 0.001 0.000 0.221 404 S C 1.471 176.151 174.600 0.134 0.000 0.987 404 S CA 0.263 58.539 58.200 0.126 0.000 0.929 404 S CB 0.647 63.897 63.200 0.084 0.000 0.832 404 S HN 0.675 nan 8.310 nan 0.000 0.492 405 A N 2.181 125.081 122.820 0.133 0.000 1.917 405 A HA 0.297 4.618 4.320 0.001 0.000 0.219 405 A C 2.282 179.961 177.584 0.159 0.000 1.182 405 A CA 2.056 54.149 52.037 0.092 0.000 0.633 405 A CB -1.547 17.447 19.000 -0.010 0.000 0.819 405 A HN 1.574 nan 8.150 nan 0.000 0.448 406 G N -2.742 106.273 108.800 0.358 0.000 2.363 406 G HA2 -0.218 3.743 3.960 0.001 0.000 0.238 406 G HA3 -0.218 3.743 3.960 0.001 0.000 0.238 406 G C 0.671 175.820 174.900 0.415 0.000 1.062 406 G CA 1.226 46.544 45.100 0.364 0.000 0.629 406 G HN 1.568 nan 8.290 nan 0.000 0.514 407 T N 0.014 114.691 114.554 0.204 0.000 2.841 407 T HA 0.608 4.959 4.350 0.001 0.000 0.285 407 T C -1.074 173.568 174.700 -0.097 0.000 0.991 407 T CA -0.002 62.169 62.100 0.118 0.000 0.966 407 T CB 1.776 70.685 68.868 0.068 0.000 0.962 407 T HN 0.796 nan 8.240 nan 0.000 0.438 408 V N 6.913 126.731 119.914 -0.160 0.000 2.447 408 V HA 0.524 4.645 4.120 0.001 0.000 0.292 408 V C 0.037 176.090 176.094 -0.068 0.000 1.021 408 V CA -0.884 61.259 62.300 -0.261 0.000 0.850 408 V CB 1.497 32.958 31.823 -0.604 0.000 1.005 408 V HN 0.833 nan 8.190 nan 0.000 0.426 409 R N 2.204 122.691 120.500 -0.022 0.000 2.573 409 R HA 0.474 4.815 4.340 0.001 0.000 0.272 409 R C -0.127 176.243 176.300 0.117 0.000 1.009 409 R CA -0.827 55.303 56.100 0.050 0.000 1.059 409 R CB 1.342 31.662 30.300 0.032 0.000 1.112 409 R HN 0.764 nan 8.270 nan 0.000 0.517 410 H N 3.387 122.487 119.070 0.049 0.000 2.723 410 H HA -0.021 4.535 4.556 0.001 0.000 0.294 410 H C 0.477 175.876 175.328 0.119 0.000 1.079 410 H CA -0.137 55.965 56.048 0.090 0.000 1.411 410 H CB 0.469 30.265 29.762 0.057 0.000 1.439 410 H HN 0.649 nan 8.280 nan 0.000 0.474 411 F N 5.058 124.864 119.950 -0.240 0.000 2.037 411 F HA -0.379 4.149 4.527 0.001 0.000 0.296 411 F C 1.695 177.415 175.800 -0.134 0.000 1.132 411 F CA 2.099 60.024 58.000 -0.125 0.000 1.211 411 F CB -0.292 38.705 39.000 -0.004 0.000 0.951 411 F HN 0.581 nan 8.300 nan 0.000 0.503 412 L N -0.328 120.701 121.223 -0.325 0.000 2.013 412 L HA -0.264 4.077 4.340 0.001 0.000 0.212 412 L C 2.569 179.328 176.870 -0.184 0.000 1.073 412 L CA 2.192 56.846 54.840 -0.311 0.000 0.753 412 L CB -1.195 40.816 42.059 -0.080 0.000 0.890 412 L HN 0.502 nan 8.230 nan 0.000 0.432 413 T N -4.451 110.138 114.554 0.057 0.000 3.035 413 T HA 0.171 4.522 4.350 0.001 0.000 0.259 413 T C 1.549 176.253 174.700 0.007 0.000 1.078 413 T CA 0.683 62.827 62.100 0.073 0.000 1.132 413 T CB 0.542 69.517 68.868 0.177 0.000 0.900 413 T HN 0.496 nan 8.240 nan 0.000 0.480 414 G N 1.352 110.150 108.800 -0.002 0.000 2.195 414 G HA2 -0.234 3.727 3.960 0.001 0.000 0.246 414 G HA3 -0.234 3.727 3.960 0.001 0.000 0.246 414 G C -0.127 174.790 174.900 0.029 0.000 0.984 414 G CA 0.032 45.119 45.100 -0.023 0.000 0.633 414 G HN 0.644 nan 8.290 nan 0.000 0.525 415 E N 1.276 121.519 120.200 0.072 0.000 2.341 415 E HA 0.204 4.555 4.350 0.001 0.000 0.256 415 E C 0.944 177.586 176.600 0.071 0.000 1.125 415 E CA -0.266 56.171 56.400 0.061 0.000 0.939 415 E CB 0.377 30.102 29.700 0.042 0.000 0.991 415 E HN 0.403 nan 8.360 nan 0.000 0.458 416 R N 3.101 123.632 120.500 0.052 0.000 2.566 416 R HA 0.010 4.350 4.340 0.001 0.000 0.273 416 R C -0.377 175.970 176.300 0.077 0.000 0.981 416 R CA 0.571 56.708 56.100 0.063 0.000 1.091 416 R CB 0.270 30.604 30.300 0.058 0.000 0.924 416 R HN 0.415 nan 8.270 nan 0.000 0.411 417 L N 1.476 122.760 121.223 0.103 0.000 2.279 417 L HA 0.431 4.772 4.340 0.001 0.000 0.262 417 L C -0.196 176.796 176.870 0.203 0.000 1.019 417 L CA -0.995 53.917 54.840 0.120 0.000 0.823 417 L CB 1.980 44.105 42.059 0.110 0.000 1.358 417 L HN 0.550 nan 8.230 nan 0.000 0.432 418 S N 1.125 116.934 115.700 0.182 0.000 2.475 418 S HA 0.713 5.183 4.470 0.001 0.000 0.281 418 S C -0.827 173.952 174.600 0.299 0.000 1.198 418 S CA -0.422 57.897 58.200 0.198 0.000 1.063 418 S CB 0.111 63.368 63.200 0.094 0.000 0.972 418 S HN 0.429 nan 8.310 nan 0.000 0.486 419 F N 2.041 122.013 119.950 0.037 0.000 2.686 419 F HA 0.859 5.387 4.527 0.001 0.000 0.311 419 F C -1.274 174.548 175.800 0.037 0.000 1.128 419 F CA -1.136 56.890 58.000 0.044 0.000 0.946 419 F CB 1.117 40.151 39.000 0.057 0.000 1.336 419 F HN 0.725 nan 8.300 nan 0.000 0.457 420 K N 0.897 121.230 120.400 -0.111 0.000 2.578 420 K HA 0.417 4.738 4.320 0.001 0.000 0.269 420 K C -2.127 174.482 176.600 0.015 0.000 0.941 420 K CA -0.923 55.233 56.287 -0.217 0.000 0.847 420 K CB 1.628 34.035 32.500 -0.154 0.000 1.397 420 K HN 0.589 nan 8.250 nan 0.000 0.422 421 N N 1.898 120.603 118.700 0.007 0.000 2.482 421 N HA 0.141 4.882 4.740 0.001 0.000 0.242 421 N C -0.769 174.761 175.510 0.033 0.000 1.100 421 N CA -0.267 52.821 53.050 0.063 0.000 0.946 421 N CB 1.260 39.787 38.487 0.067 0.000 1.227 421 N HN 0.360 nan 8.380 nan 0.000 0.508 422 V N 2.091 122.031 119.914 0.044 0.000 2.299 422 V HA 0.370 4.491 4.120 0.001 0.000 0.255 422 V C 1.372 177.485 176.094 0.032 0.000 1.100 422 V CA -0.048 62.271 62.300 0.031 0.000 0.938 422 V CB -0.209 31.635 31.823 0.034 0.000 1.139 422 V HN 0.920 nan 8.190 nan 0.000 0.490 423 G N 5.687 114.502 108.800 0.024 0.000 2.536 423 G HA2 -0.334 3.627 3.960 0.001 0.000 0.277 423 G HA3 -0.334 3.627 3.960 0.001 0.000 0.277 423 G C 0.760 175.677 174.900 0.028 0.000 1.155 423 G CA 0.549 45.663 45.100 0.023 0.000 0.960 423 G HN 0.898 nan 8.290 nan 0.000 0.544 424 K N 0.991 121.409 120.400 0.029 0.000 2.374 424 K HA 0.337 4.658 4.320 0.001 0.000 0.196 424 K C 0.591 177.218 176.600 0.045 0.000 1.023 424 K CA 0.489 56.795 56.287 0.031 0.000 1.103 424 K CB 0.189 32.703 32.500 0.023 0.000 0.848 424 K HN 0.367 nan 8.250 nan 0.000 0.528 425 N N 0.773 119.505 118.700 0.054 0.000 2.563 425 N HA 0.432 5.173 4.740 0.001 0.000 0.288 425 N C -1.638 173.928 175.510 0.093 0.000 1.246 425 N CA -0.823 52.271 53.050 0.072 0.000 0.946 425 N CB 1.268 39.795 38.487 0.067 0.000 1.213 425 N HN 0.099 nan 8.380 nan 0.000 0.578 426 L N -0.302 120.993 121.223 0.120 0.000 2.409 426 L HA 0.480 4.821 4.340 0.001 0.000 0.272 426 L C -1.014 175.957 176.870 0.168 0.000 0.980 426 L CA -0.246 54.691 54.840 0.162 0.000 0.826 426 L CB 1.508 43.680 42.059 0.189 0.000 1.268 426 L HN 0.465 nan 8.230 nan 0.000 0.407 427 E N 5.503 125.808 120.200 0.176 0.000 2.187 427 E HA 0.654 5.005 4.350 0.001 0.000 0.268 427 E C -1.255 175.471 176.600 0.210 0.000 0.896 427 E CA -0.547 55.949 56.400 0.160 0.000 0.766 427 E CB 2.319 32.083 29.700 0.107 0.000 1.142 427 E HN 0.529 nan 8.360 nan 0.000 0.408 428 I N 1.266 121.948 120.570 0.186 0.000 2.769 428 I HA 0.301 4.472 4.170 0.001 0.000 0.298 428 I C -0.550 175.639 176.117 0.121 0.000 1.128 428 I CA -0.779 60.637 61.300 0.192 0.000 1.031 428 I CB 2.600 40.710 38.000 0.182 0.000 1.235 428 I HN 0.340 nan 8.210 nan 0.000 0.423 429 T N 4.299 118.916 114.554 0.105 0.000 2.772 429 T HA 0.397 4.748 4.350 0.001 0.000 0.288 429 T C -0.358 174.365 174.700 0.038 0.000 0.994 429 T CA -0.392 61.743 62.100 0.058 0.000 0.951 429 T CB 1.378 70.275 68.868 0.050 0.000 0.933 429 T HN 0.203 nan 8.240 nan 0.000 0.447 430 V N 7.050 126.967 119.914 0.005 0.000 2.277 430 V HA 0.274 4.395 4.120 0.001 0.000 0.269 430 V C -2.255 173.806 176.094 -0.055 0.000 1.036 430 V CA -2.264 60.020 62.300 -0.027 0.000 0.821 430 V CB 0.731 32.523 31.823 -0.051 0.000 1.052 430 V HN 0.659 nan 8.190 nan 0.000 0.462 431 P HA -0.040 nan 4.420 nan 0.000 0.258 431 P C 0.881 178.128 177.300 -0.088 0.000 1.172 431 P CA 0.307 63.367 63.100 -0.066 0.000 0.762 431 P CB 0.482 32.140 31.700 -0.070 0.000 0.764 432 K N 5.303 125.668 120.400 -0.058 0.000 2.293 432 K HA -0.249 4.072 4.320 0.001 0.000 0.204 432 K C 1.747 178.311 176.600 -0.060 0.000 1.045 432 K CA 1.828 58.083 56.287 -0.052 0.000 0.933 432 K CB -0.019 32.463 32.500 -0.031 0.000 0.736 432 K HN 0.393 nan 8.250 nan 0.000 0.463 433 K N 0.369 120.728 120.400 -0.068 0.000 2.032 433 K HA -0.191 4.130 4.320 0.001 0.000 0.209 433 K C 1.887 178.427 176.600 -0.099 0.000 1.048 433 K CA 1.753 58.001 56.287 -0.066 0.000 0.927 433 K CB -0.490 31.973 32.500 -0.061 0.000 0.712 433 K HN 0.113 nan 8.250 nan 0.000 0.441 434 L N 1.053 122.159 121.223 -0.195 0.000 2.005 434 L HA -0.144 4.197 4.340 0.001 0.000 0.207 434 L C 2.770 179.513 176.870 -0.211 0.000 1.072 434 L CA 1.192 55.794 54.840 -0.397 0.000 0.744 434 L CB -0.785 40.756 42.059 -0.863 0.000 0.895 434 L HN 0.187 nan 8.230 nan 0.000 0.433 435 L N -0.019 121.123 121.223 -0.135 0.000 1.997 435 L HA -0.276 4.065 4.340 0.001 0.000 0.216 435 L C 2.512 179.402 176.870 0.033 0.000 1.074 435 L CA 1.473 56.306 54.840 -0.012 0.000 0.763 435 L CB -0.539 41.497 42.059 -0.039 0.000 0.890 435 L HN 0.248 nan 8.230 nan 0.000 0.434 436 E N -0.903 119.300 120.200 0.005 0.000 2.331 436 E HA -0.198 4.152 4.350 0.001 0.000 0.199 436 E C 2.070 178.702 176.600 0.053 0.000 1.008 436 E CA 1.207 57.623 56.400 0.026 0.000 0.843 436 E CB -0.015 29.690 29.700 0.008 0.000 0.761 436 E HN 0.246 nan 8.360 nan 0.000 0.507 437 T N 0.172 114.765 114.554 0.066 0.000 2.942 437 T HA -0.059 4.291 4.350 0.001 0.000 0.265 437 T C 0.333 175.131 174.700 0.164 0.000 1.062 437 T CA 0.305 62.465 62.100 0.101 0.000 1.139 437 T CB -0.054 68.876 68.868 0.103 0.000 0.883 437 T HN 0.134 nan 8.240 nan 0.000 0.468 438 D N 0.397 120.942 120.400 0.242 0.000 2.363 438 D HA 0.104 4.744 4.640 0.001 0.000 0.240 438 D C 0.933 177.399 176.300 0.278 0.000 1.236 438 D CA 0.095 54.296 54.000 0.334 0.000 0.927 438 D CB 1.260 42.269 40.800 0.348 0.000 1.150 438 D HN 0.186 nan 8.370 nan 0.000 0.458 439 S N -0.493 115.442 115.700 0.391 0.000 2.826 439 S HA 0.126 4.596 4.470 0.001 0.000 0.193 439 S C 1.605 176.375 174.600 0.283 0.000 0.838 439 S CA -0.088 58.304 58.200 0.321 0.000 0.844 439 S CB 0.025 63.459 63.200 0.390 0.000 0.816 439 S HN 0.439 nan 8.310 nan 0.000 0.626 440 I N 1.362 122.152 120.570 0.367 0.000 4.187 440 I HA 0.214 4.385 4.170 0.001 0.000 0.326 440 I C -0.201 176.045 176.117 0.215 0.000 1.302 440 I CA 0.277 61.708 61.300 0.217 0.000 1.196 440 I CB 1.140 39.175 38.000 0.058 0.000 1.095 440 I HN 0.402 nan 8.210 nan 0.000 0.411 441 T N -0.766 113.898 114.554 0.182 0.000 2.916 441 T HA 0.513 4.864 4.350 0.001 0.000 0.298 441 T C -0.841 173.845 174.700 -0.024 0.000 1.031 441 T CA -0.709 61.428 62.100 0.063 0.000 0.993 441 T CB 2.278 71.155 68.868 0.015 0.000 1.045 441 T HN -0.087 nan 8.240 nan 0.000 0.454 442 L N 3.502 124.737 121.223 0.020 0.000 2.367 442 L HA 0.718 5.059 4.340 0.001 0.000 0.275 442 L C -0.978 175.932 176.870 0.067 0.000 1.129 442 L CA -0.192 54.627 54.840 -0.035 0.000 0.839 442 L CB 0.530 42.350 42.059 -0.397 0.000 1.133 442 L HN 0.673 nan 8.230 nan 0.000 0.453 443 V N 6.606 126.557 119.914 0.062 0.000 2.638 443 V HA 0.524 4.645 4.120 0.001 0.000 0.306 443 V C -0.168 176.016 176.094 0.150 0.000 1.052 443 V CA -0.586 61.764 62.300 0.084 0.000 0.885 443 V CB 1.751 33.502 31.823 -0.119 0.000 0.999 443 V HN 0.714 nan 8.190 nan 0.000 0.424 444 L N 3.240 124.586 121.223 0.204 0.000 2.341 444 L HA 0.705 5.046 4.340 0.001 0.000 0.267 444 L C -0.406 176.552 176.870 0.146 0.000 1.009 444 L CA -0.597 54.352 54.840 0.182 0.000 0.819 444 L CB 2.474 44.646 42.059 0.189 0.000 1.323 444 L HN 0.652 nan 8.230 nan 0.000 0.425 445 E N 1.265 121.525 120.200 0.100 0.000 2.176 445 E HA 0.676 5.027 4.350 0.001 0.000 0.267 445 E C -1.378 175.139 176.600 -0.138 0.000 0.893 445 E CA -0.631 55.749 56.400 -0.034 0.000 0.761 445 E CB 1.957 31.708 29.700 0.085 0.000 1.133 445 E HN 0.677 nan 8.360 nan 0.000 0.409 446 A N 3.783 126.454 122.820 -0.248 0.000 2.318 446 A HA 0.661 4.981 4.320 0.001 0.000 0.324 446 A C -0.737 176.698 177.584 -0.248 0.000 1.170 446 A CA -0.556 51.324 52.037 -0.262 0.000 0.810 446 A CB 1.077 19.895 19.000 -0.303 0.000 1.198 446 A HN 0.414 nan 8.150 nan 0.000 0.484 447 V N 0.000 119.813 119.914 -0.169 0.000 2.409 447 V HA 0.000 4.121 4.120 0.001 0.000 0.244 447 V CA 0.000 62.227 62.300 -0.121 0.000 1.235 447 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 447 V HN 0.000 nan 8.190 nan 0.000 0.556