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 2xqr_1_K DATA FIRST_RESID 5 DATA SEQUENCE NQPYRTGFHF QPPKNWMNDP NGPMIYKGIY HLFYQWNPKG AVWGNIVWAH DATA SEQUENCE STSTDLINWD PHPPAIFPSA PFDINGCWSG SATILPNGKP VILYTGIDPK DATA SEQUENCE NQQVQNIAEP KNLSDPYLRE WKKSPLNPLM APDAVNGINA SSFRDPTTAW DATA SEQUENCE LGQDKKWRVI IGSKIHRRGL AITYTSKDFL KWEKSPEPLH YDDGSGMWEC DATA SEQUENCE PDFFPVTRFG SNGVETSSFG EPNEILKHVL KISLDDTKHD YYTIGTYDRV DATA SEQUENCE KDKFVPDNGF KMDGTAPRYD YGKYYASKTF FDSAKNRRIL WGWTNESSSV DATA SEQUENCE EDDVEKGWSG IQTIPRKIWL DRSGKQLIQW PVREVERLRT KQVKNLRNKV DATA SEQUENCE LKSGSRLEVY GVTAAQADVE VLFKVRDLEK ADVIEPSWTD PQLIcSKMNV DATA SEQUENCE SVKSGLGPFG LMVLASKNLE EYTSVYFRIF KARQNSNKYV VLMcSDQSRS DATA SEQUENCE SLKEDNDKTT YGAFVDINPH QPLSLRALID HSVVESFGGK GRACITSRVY DATA SEQUENCE PKLAIGKSSH LFAFNYGYQS VDVLNLNAWS MNSAQIS 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 5 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.503 175.510 -0.012 0.000 1.280 5 N CA 0.000 53.036 53.050 -0.022 0.000 0.885 5 N CB 0.000 38.478 38.487 -0.015 0.000 1.341 6 Q N 1.083 120.865 119.800 -0.031 0.000 2.943 6 Q HA 0.406 4.746 4.340 0.000 0.000 0.327 6 Q C -2.078 173.866 176.000 -0.092 0.000 0.937 6 Q CA -1.336 54.475 55.803 0.014 0.000 0.914 6 Q CB 1.711 30.477 28.738 0.046 0.000 1.339 6 Q HN 0.474 nan 8.270 nan 0.000 0.417 7 P HA -0.104 nan 4.420 nan 0.000 0.225 7 P C 0.320 177.439 177.300 -0.301 0.000 1.148 7 P CA 1.135 64.011 63.100 -0.373 0.000 0.779 7 P CB 0.234 31.571 31.700 -0.605 0.000 0.780 8 Y N -0.752 119.663 120.300 0.192 0.000 2.467 8 Y HA 0.275 4.825 4.550 -0.000 0.000 0.250 8 Y C 1.389 177.465 175.900 0.293 0.000 1.155 8 Y CA -0.867 57.408 58.100 0.292 0.000 1.249 8 Y CB -0.351 38.385 38.460 0.460 0.000 1.146 8 Y HN -0.208 nan 8.280 nan 0.000 0.524 9 R N 1.104 121.713 120.500 0.183 0.000 2.543 9 R HA 0.202 4.542 4.340 0.000 0.000 0.277 9 R C 0.670 176.837 176.300 -0.222 0.000 1.074 9 R CA 0.186 56.151 56.100 -0.225 0.000 1.076 9 R CB 0.460 30.518 30.300 -0.402 0.000 0.993 9 R HN 0.171 nan 8.270 nan 0.000 0.459 10 T N -1.068 113.358 114.554 -0.214 0.000 2.904 10 T HA 0.223 4.573 4.350 0.000 0.000 0.290 10 T C 1.271 175.932 174.700 -0.066 0.000 1.018 10 T CA -0.506 61.543 62.100 -0.085 0.000 1.075 10 T CB 1.753 70.538 68.868 -0.138 0.000 0.986 10 T HN 0.620 nan 8.240 nan 0.000 0.523 11 G N 0.385 109.239 108.800 0.090 0.000 2.492 11 G HA2 0.147 4.107 3.960 0.000 0.000 0.214 11 G HA3 0.147 4.107 3.960 0.000 0.000 0.214 11 G C 0.661 175.689 174.900 0.214 0.000 1.147 11 G CA 0.256 45.455 45.100 0.166 0.000 0.809 11 G HN 0.900 nan 8.290 nan 0.000 0.533 12 F N -1.516 118.518 119.950 0.140 0.000 2.856 12 F HA 0.530 5.057 4.527 0.000 0.000 0.338 12 F C 0.167 175.993 175.800 0.044 0.000 1.100 12 F CA -1.360 56.682 58.000 0.070 0.000 1.150 12 F CB -0.173 38.833 39.000 0.011 0.000 1.101 12 F HN -0.118 nan 8.300 nan 0.000 0.548 13 H N 1.097 120.044 119.070 -0.205 0.000 2.505 13 H HA 0.315 4.871 4.556 -0.000 0.000 0.351 13 H C -0.834 174.507 175.328 0.020 0.000 1.151 13 H CA -0.670 55.346 56.048 -0.054 0.000 1.339 13 H CB 0.851 30.524 29.762 -0.147 0.000 1.483 13 H HN 0.197 nan 8.280 nan 0.000 0.558 14 F N 3.189 123.188 119.950 0.082 0.000 2.504 14 F HA 0.180 4.707 4.527 -0.000 0.000 0.369 14 F C -0.102 175.577 175.800 -0.203 0.000 1.082 14 F CA 0.047 57.980 58.000 -0.111 0.000 1.216 14 F CB 0.049 38.899 39.000 -0.250 0.000 1.108 14 F HN 0.565 nan 8.300 nan 0.000 0.554 15 Q N 6.888 126.114 119.800 -0.956 0.000 2.479 15 Q HA 0.486 4.826 4.340 0.000 0.000 0.276 15 Q C -3.211 172.258 176.000 -0.885 0.000 0.989 15 Q CA -2.095 53.246 55.803 -0.769 0.000 0.864 15 Q CB 2.004 30.487 28.738 -0.424 0.000 1.444 15 Q HN 0.281 nan 8.270 nan 0.000 0.388 16 P HA 0.215 nan 4.420 nan 0.000 0.274 16 P C -2.068 175.056 177.300 -0.294 0.000 1.256 16 P CA -1.190 61.631 63.100 -0.466 0.000 0.795 16 P CB 0.048 31.587 31.700 -0.269 0.000 1.038 17 P HA -0.111 nan 4.420 nan 0.000 0.218 17 P C 0.150 177.430 177.300 -0.032 0.000 1.148 17 P CA 1.948 64.969 63.100 -0.131 0.000 0.822 17 P CB 0.054 31.708 31.700 -0.076 0.000 0.784 18 K N -4.396 116.082 120.400 0.130 0.000 2.556 18 K HA 0.457 4.777 4.320 0.000 0.000 0.289 18 K C -0.925 175.949 176.600 0.458 0.000 1.040 18 K CA -1.009 55.440 56.287 0.270 0.000 0.894 18 K CB 0.797 33.443 32.500 0.243 0.000 1.547 18 K HN -0.333 nan 8.250 nan 0.000 0.417 19 N N -1.168 117.782 118.700 0.416 0.000 6.584 19 N HA -0.209 4.531 4.740 0.000 0.000 0.411 19 N C -1.483 174.277 175.510 0.417 0.000 0.981 19 N CA 0.641 53.894 53.050 0.338 0.000 1.762 19 N CB -0.461 38.105 38.487 0.132 0.000 0.760 19 N HN 0.730 nan 8.380 nan 0.000 0.447 20 W N 2.174 123.537 121.300 0.105 0.000 2.253 20 W HA 0.468 5.128 4.660 0.000 0.000 0.322 20 W C -0.259 176.408 176.519 0.247 0.000 1.342 20 W CA -0.118 57.313 57.345 0.143 0.000 1.218 20 W CB 0.178 29.656 29.460 0.030 0.000 1.205 20 W HN 0.565 nan 8.180 nan 0.000 0.551 21 M N 8.125 127.484 119.600 -0.400 0.000 2.464 21 M HA 0.231 4.711 4.480 0.000 0.000 0.308 21 M C -0.463 175.230 176.300 -1.010 0.000 1.127 21 M CA -0.482 54.629 55.300 -0.316 0.000 0.913 21 M CB 1.611 34.201 32.600 -0.017 0.000 1.689 21 M HN 0.630 nan 8.290 nan 0.000 0.445 22 N N 1.600 119.808 118.700 -0.819 0.000 2.876 22 N HA 0.292 5.032 4.740 0.000 0.000 0.241 22 N C -1.171 173.711 175.510 -1.047 0.000 1.564 22 N CA -0.407 51.620 53.050 -1.704 0.000 0.976 22 N CB -0.446 37.092 38.487 -1.582 0.000 2.134 22 N HN 0.534 nan 8.380 nan 0.000 0.378 23 D N 2.817 122.785 120.400 -0.720 0.000 2.629 23 D HA 0.102 4.742 4.640 0.000 0.000 0.228 23 D C -2.056 174.094 176.300 -0.250 0.000 1.127 23 D CA -0.066 53.762 54.000 -0.286 0.000 0.855 23 D CB -0.182 40.517 40.800 -0.169 0.000 1.180 23 D HN 0.314 nan 8.370 nan 0.000 0.484 24 P HA 0.127 nan 4.420 nan 0.000 0.276 24 P C -0.937 176.163 177.300 -0.332 0.000 1.235 24 P CA -0.307 62.611 63.100 -0.303 0.000 0.772 24 P CB 0.566 32.098 31.700 -0.279 0.000 0.871 25 N N 1.140 119.545 118.700 -0.492 0.000 2.284 25 N HA 0.489 5.229 4.740 0.000 0.000 0.300 25 N C 0.281 175.574 175.510 -0.361 0.000 1.047 25 N CA -0.753 51.885 53.050 -0.686 0.000 0.821 25 N CB 1.198 38.577 38.487 -1.846 0.000 1.337 25 N HN 0.569 nan 8.380 nan 0.000 0.482 26 G N 2.054 110.802 108.800 -0.087 0.000 2.323 26 G HA2 -0.193 3.767 3.960 0.000 0.000 0.292 26 G HA3 -0.193 3.767 3.960 0.000 0.000 0.292 26 G C -2.469 172.552 174.900 0.202 0.000 1.040 26 G CA -0.675 44.538 45.100 0.189 0.000 0.942 26 G HN 0.461 nan 8.290 nan 0.000 0.506 27 P HA 0.391 nan 4.420 nan 0.000 0.268 27 P C 0.381 177.514 177.300 -0.278 0.000 1.204 27 P CA 0.322 63.291 63.100 -0.218 0.000 0.768 27 P CB 0.919 32.537 31.700 -0.136 0.000 0.842 28 M N 1.936 121.311 119.600 -0.375 0.000 2.773 28 M HA 0.610 5.090 4.480 0.000 0.000 0.270 28 M C -1.807 174.568 176.300 0.124 0.000 1.238 28 M CA -1.295 53.964 55.300 -0.068 0.000 0.832 28 M CB 1.841 34.574 32.600 0.222 0.000 1.672 28 M HN 0.091 nan 8.290 nan 0.000 0.480 29 I N 1.497 122.290 120.570 0.372 0.000 2.509 29 I HA 0.768 4.938 4.170 0.000 0.000 0.293 29 I C -2.156 174.184 176.117 0.370 0.000 1.020 29 I CA -0.279 61.229 61.300 0.347 0.000 1.088 29 I CB 2.062 40.244 38.000 0.303 0.000 1.267 29 I HN 0.688 nan 8.210 nan 0.000 0.430 30 Y N 6.587 126.988 120.300 0.167 0.000 2.390 30 Y HA 0.345 4.895 4.550 0.000 0.000 0.324 30 Y C -0.213 175.715 175.900 0.047 0.000 1.151 30 Y CA -1.106 57.064 58.100 0.116 0.000 1.053 30 Y CB 1.278 39.817 38.460 0.132 0.000 1.277 30 Y HN 0.688 nan 8.280 nan 0.000 0.432 31 K N 4.615 124.655 120.400 -0.601 0.000 3.077 31 K HA -0.228 4.092 4.320 0.000 0.000 0.264 31 K C 0.833 177.275 176.600 -0.264 0.000 1.008 31 K CA 1.206 57.205 56.287 -0.480 0.000 0.740 31 K CB -1.611 30.552 32.500 -0.562 0.000 1.273 31 K HN 1.561 nan 8.250 nan 0.000 0.477 32 G N -0.257 108.407 108.800 -0.227 0.000 2.168 32 G HA2 -0.304 3.656 3.960 0.000 0.000 0.263 32 G HA3 -0.304 3.656 3.960 0.000 0.000 0.263 32 G C 0.152 174.863 174.900 -0.314 0.000 0.977 32 G CA 0.578 45.530 45.100 -0.247 0.000 0.659 32 G HN 0.431 nan 8.290 nan 0.000 0.533 33 I N 0.118 120.536 120.570 -0.254 0.000 2.433 33 I HA 0.458 4.628 4.170 0.000 0.000 0.292 33 I C -0.156 175.831 176.117 -0.217 0.000 1.001 33 I CA -1.377 59.781 61.300 -0.238 0.000 1.119 33 I CB 1.316 39.229 38.000 -0.145 0.000 1.289 33 I HN -0.023 nan 8.210 nan 0.000 0.438 34 Y N 4.552 124.829 120.300 -0.039 0.000 2.304 34 Y HA 0.335 4.885 4.550 0.000 0.000 0.328 34 Y C 0.405 176.282 175.900 -0.039 0.000 1.123 34 Y CA -0.151 57.978 58.100 0.048 0.000 1.218 34 Y CB 0.491 39.014 38.460 0.103 0.000 1.207 34 Y HN 0.388 nan 8.280 nan 0.000 0.495 35 H N 3.726 122.979 119.070 0.304 0.000 2.489 35 H HA 0.410 4.966 4.556 0.000 0.000 0.343 35 H C -1.362 173.916 175.328 -0.084 0.000 1.086 35 H CA -0.859 55.284 56.048 0.158 0.000 1.198 35 H CB 2.507 32.301 29.762 0.055 0.000 1.490 35 H HN 0.465 nan 8.280 nan 0.000 0.504 36 L N 4.369 125.477 121.223 -0.191 0.000 2.343 36 L HA 0.381 4.721 4.340 0.000 0.000 0.278 36 L C -1.480 175.059 176.870 -0.553 0.000 0.996 36 L CA -0.363 54.066 54.840 -0.685 0.000 0.831 36 L CB 0.389 41.529 42.059 -1.532 0.000 1.232 36 L HN 0.314 nan 8.230 nan 0.000 0.413 37 F N 4.702 124.503 119.950 -0.249 0.000 2.403 37 F HA 0.701 5.228 4.527 0.000 0.000 0.326 37 F C -0.386 175.174 175.800 -0.400 0.000 1.081 37 F CA -0.357 57.486 58.000 -0.261 0.000 1.041 37 F CB 1.208 40.061 39.000 -0.244 0.000 1.234 37 F HN 0.481 nan 8.300 nan 0.000 0.503 38 Y N -1.917 118.211 120.300 -0.287 0.000 2.609 38 Y HA 0.434 4.984 4.550 0.000 0.000 0.336 38 Y C -1.270 174.467 175.900 -0.271 0.000 1.129 38 Y CA -1.786 56.087 58.100 -0.378 0.000 1.040 38 Y CB 0.654 38.936 38.460 -0.297 0.000 1.310 38 Y HN 0.385 nan 8.280 nan 0.000 0.460 39 Q N 1.797 121.497 119.800 -0.167 0.000 2.286 39 Q HA 0.083 4.423 4.340 0.000 0.000 0.267 39 Q C -1.617 174.516 176.000 0.222 0.000 1.028 39 Q CA 0.592 56.361 55.803 -0.056 0.000 0.901 39 Q CB 1.090 29.778 28.738 -0.083 0.000 1.183 39 Q HN 0.877 nan 8.270 nan 0.000 0.392 40 W N 3.853 125.159 121.300 0.011 0.000 2.957 40 W HA 0.251 4.911 4.660 -0.000 0.000 0.336 40 W C -0.892 175.684 176.519 0.096 0.000 1.087 40 W CA -0.967 56.446 57.345 0.113 0.000 1.235 40 W CB 1.207 30.676 29.460 0.015 0.000 1.399 40 W HN 0.403 nan 8.180 nan 0.000 0.480 41 N N 6.436 124.944 118.700 -0.319 0.000 2.420 41 N HA 0.327 5.067 4.740 0.000 0.000 0.249 41 N C -1.901 172.963 175.510 -1.077 0.000 1.033 41 N CA -2.122 50.612 53.050 -0.527 0.000 0.944 41 N CB 2.011 40.312 38.487 -0.311 0.000 1.113 41 N HN 0.097 nan 8.380 nan 0.000 0.502 42 P HA -0.042 nan 4.420 nan 0.000 0.226 42 P C -0.356 176.600 177.300 -0.572 0.000 1.153 42 P CA 1.205 63.640 63.100 -1.109 0.000 0.777 42 P CB 0.110 31.510 31.700 -0.500 0.000 0.794 43 K N -1.569 118.595 120.400 -0.392 0.000 3.165 43 K HA 0.604 4.924 4.320 0.000 0.000 0.206 43 K C -0.115 176.388 176.600 -0.163 0.000 1.123 43 K CA -0.528 55.630 56.287 -0.215 0.000 0.978 43 K CB 0.455 32.861 32.500 -0.156 0.000 0.749 43 K HN -0.041 nan 8.250 nan 0.000 0.454 44 G N -0.347 108.355 108.800 -0.163 0.000 2.547 44 G HA2 0.474 4.434 3.960 0.000 0.000 0.291 44 G HA3 0.474 4.434 3.960 0.000 0.000 0.291 44 G C -0.960 173.948 174.900 0.014 0.000 1.471 44 G CA -0.405 44.647 45.100 -0.081 0.000 0.798 44 G HN 0.083 nan 8.290 nan 0.000 0.504 45 A N -0.624 122.239 122.820 0.072 0.000 2.423 45 A HA 0.601 4.921 4.320 0.000 0.000 0.246 45 A C 0.771 178.523 177.584 0.280 0.000 1.278 45 A CA 0.757 52.913 52.037 0.198 0.000 0.903 45 A CB -0.534 18.539 19.000 0.121 0.000 0.997 45 A HN 2.015 nan 8.150 nan 0.000 0.510 46 V N -5.571 114.393 119.914 0.084 0.000 2.960 46 V HA 0.703 4.823 4.120 0.000 0.000 0.315 46 V C -0.145 175.526 176.094 -0.704 0.000 1.087 46 V CA -1.711 60.492 62.300 -0.163 0.000 0.982 46 V CB 0.926 32.658 31.823 -0.152 0.000 1.039 46 V HN 0.435 nan 8.190 nan 0.000 0.437 47 W N 2.439 122.663 121.300 -1.794 0.000 2.293 47 W HA 0.516 5.176 4.660 0.000 0.000 0.342 47 W C 0.557 176.642 176.519 -0.724 0.000 1.274 47 W CA 2.161 58.476 57.345 -1.717 0.000 1.290 47 W CB 0.077 28.734 29.460 -1.339 0.000 1.176 47 W HN 1.413 nan 8.180 nan 0.000 0.570 48 G N 4.134 112.129 108.800 -1.342 0.000 2.350 48 G HA2 0.061 4.021 3.960 0.000 0.000 0.305 48 G HA3 0.061 4.021 3.960 0.000 0.000 0.305 48 G C -0.494 173.965 174.900 -0.735 0.000 1.479 48 G CA -0.543 43.923 45.100 -1.058 0.000 0.949 48 G HN 0.953 nan 8.290 nan 0.000 0.651 49 N N -1.655 116.739 118.700 -0.509 0.000 2.721 49 N HA -0.186 4.554 4.740 0.000 0.000 0.249 49 N C 0.241 175.609 175.510 -0.237 0.000 1.072 49 N CA 1.199 54.075 53.050 -0.290 0.000 0.710 49 N CB -1.022 37.314 38.487 -0.251 0.000 0.993 49 N HN 0.811 nan 8.380 nan 0.000 0.547 50 I N 0.718 121.131 120.570 -0.261 0.000 2.618 50 I HA 0.057 4.227 4.170 0.000 0.000 0.284 50 I C 0.776 176.953 176.117 0.100 0.000 1.146 50 I CA -0.158 61.061 61.300 -0.135 0.000 1.425 50 I CB 0.940 38.826 38.000 -0.190 0.000 1.383 50 I HN 0.150 nan 8.210 nan 0.000 0.562 51 V N 3.790 123.796 119.914 0.154 0.000 3.130 51 V HA 0.556 4.676 4.120 0.000 0.000 0.310 51 V C -1.423 174.863 176.094 0.320 0.000 1.158 51 V CA -1.027 61.436 62.300 0.273 0.000 1.029 51 V CB 1.671 33.652 31.823 0.263 0.000 1.057 51 V HN 0.636 nan 8.190 nan 0.000 0.436 52 W N 2.400 123.687 121.300 -0.021 0.000 2.507 52 W HA 0.771 5.431 4.660 0.000 0.000 0.334 52 W C 0.715 177.173 176.519 -0.101 0.000 1.165 52 W CA 0.336 57.610 57.345 -0.119 0.000 1.460 52 W CB 0.330 29.618 29.460 -0.286 0.000 1.404 52 W HN 0.999 nan 8.180 nan 0.000 0.435 53 A N 3.077 125.774 122.820 -0.205 0.000 2.280 53 A HA 0.481 4.801 4.320 0.000 0.000 0.268 53 A C -0.783 176.636 177.584 -0.274 0.000 1.111 53 A CA -0.111 51.656 52.037 -0.450 0.000 0.814 53 A CB 0.506 18.768 19.000 -1.230 0.000 1.093 53 A HN 0.717 nan 8.150 nan 0.000 0.498 54 H N -0.441 118.507 119.070 -0.203 0.000 3.042 54 H HA 0.530 5.086 4.556 0.000 0.000 0.345 54 H C -1.483 173.907 175.328 0.105 0.000 1.052 54 H CA -0.391 55.638 56.048 -0.031 0.000 1.311 54 H CB 1.427 31.295 29.762 0.176 0.000 1.810 54 H HN 0.624 nan 8.280 nan 0.000 0.505 55 S N 2.205 117.927 115.700 0.037 0.000 2.595 55 S HA 0.470 4.940 4.470 0.000 0.000 0.281 55 S C -0.717 174.036 174.600 0.255 0.000 1.117 55 S CA -0.623 57.643 58.200 0.111 0.000 0.873 55 S CB 2.144 65.524 63.200 0.299 0.000 1.108 55 S HN 0.755 nan 8.310 nan 0.000 0.477 56 T N -1.259 113.522 114.554 0.377 0.000 2.916 56 T HA 0.879 5.229 4.350 0.000 0.000 0.292 56 T C -0.578 174.193 174.700 0.118 0.000 1.055 56 T CA -0.814 61.454 62.100 0.279 0.000 1.009 56 T CB 1.760 70.770 68.868 0.236 0.000 1.118 56 T HN 0.514 nan 8.240 nan 0.000 0.497 57 S N -0.675 114.934 115.700 -0.151 0.000 2.567 57 S HA 0.563 5.033 4.470 0.000 0.000 0.270 57 S C 0.509 175.035 174.600 -0.124 0.000 1.152 57 S CA -0.023 57.938 58.200 -0.398 0.000 0.835 57 S CB 1.399 63.799 63.200 -1.333 0.000 1.115 57 S HN 1.247 nan 8.310 nan 0.000 0.459 58 T N -0.865 113.633 114.554 -0.093 0.000 3.023 58 T HA 0.240 4.590 4.350 0.000 0.000 0.253 58 T C 0.379 175.151 174.700 0.119 0.000 1.038 58 T CA 0.811 62.917 62.100 0.009 0.000 0.962 58 T CB -0.214 68.633 68.868 -0.034 0.000 1.018 58 T HN 0.626 nan 8.240 nan 0.000 0.521 59 D N 0.539 120.930 120.400 -0.014 0.000 2.525 59 D HA 0.171 4.811 4.640 0.000 0.000 0.231 59 D C 1.042 177.221 176.300 -0.201 0.000 1.216 59 D CA -0.438 53.524 54.000 -0.063 0.000 0.813 59 D CB -0.622 40.118 40.800 -0.100 0.000 1.108 59 D HN 0.366 nan 8.370 nan 0.000 0.524 60 L N -0.086 120.928 121.223 -0.349 0.000 4.496 60 L HA -0.235 4.105 4.340 0.000 0.000 0.419 60 L C 0.242 177.066 176.870 -0.076 0.000 1.139 60 L CA 0.371 55.043 54.840 -0.280 0.000 0.975 60 L CB -1.178 40.720 42.059 -0.269 0.000 2.099 60 L HN 0.221 nan 8.230 nan 0.000 0.818 61 I N -2.148 118.268 120.570 -0.256 0.000 4.399 61 I HA 0.173 4.343 4.170 0.000 0.000 0.301 61 I C 1.016 177.112 176.117 -0.035 0.000 1.198 61 I CA 0.712 62.005 61.300 -0.011 0.000 1.315 61 I CB -0.048 37.926 38.000 -0.044 0.000 1.452 61 I HN 0.153 nan 8.210 nan 0.000 0.457 62 N N 1.026 119.570 118.700 -0.260 0.000 2.419 62 N HA 0.248 4.988 4.740 0.000 0.000 0.277 62 N C -1.507 173.800 175.510 -0.340 0.000 1.006 62 N CA -0.122 52.834 53.050 -0.157 0.000 0.923 62 N CB 1.358 39.779 38.487 -0.110 0.000 1.140 62 N HN 0.036 nan 8.380 nan 0.000 0.488 63 W N 0.899 122.236 121.300 0.062 0.000 2.656 63 W HA 0.308 4.968 4.660 -0.000 0.000 0.327 63 W C -0.470 176.022 176.519 -0.045 0.000 1.041 63 W CA -0.703 56.681 57.345 0.066 0.000 1.229 63 W CB 1.345 30.939 29.460 0.223 0.000 1.397 63 W HN 0.230 nan 8.180 nan 0.000 0.479 64 D N 4.686 125.146 120.400 0.101 0.000 2.198 64 D HA 0.274 4.914 4.640 0.000 0.000 0.245 64 D C -2.241 173.855 176.300 -0.340 0.000 1.079 64 D CA -1.395 52.517 54.000 -0.146 0.000 0.854 64 D CB 1.445 42.096 40.800 -0.247 0.000 1.148 64 D HN -0.058 nan 8.370 nan 0.000 0.456 65 P HA 0.238 nan 4.420 nan 0.000 0.279 65 P C -0.577 176.329 177.300 -0.658 0.000 1.252 65 P CA -0.158 62.722 63.100 -0.367 0.000 0.811 65 P CB 1.554 33.122 31.700 -0.219 0.000 1.035 66 H N -0.920 118.089 119.070 -0.101 0.000 2.977 66 H HA 0.447 5.003 4.556 0.000 0.000 0.350 66 H C -2.170 173.169 175.328 0.017 0.000 1.238 66 H CA -1.594 54.423 56.048 -0.052 0.000 1.124 66 H CB 0.537 30.240 29.762 -0.099 0.000 1.866 66 H HN 0.262 nan 8.280 nan 0.000 0.550 67 P HA 0.134 nan 4.420 nan 0.000 0.270 67 P C -2.513 174.931 177.300 0.240 0.000 1.223 67 P CA -1.173 62.033 63.100 0.177 0.000 0.785 67 P CB -0.435 31.375 31.700 0.183 0.000 0.923 68 P HA -0.023 nan 4.420 nan 0.000 0.260 68 P C 0.206 177.741 177.300 0.391 0.000 1.185 68 P CA 0.554 63.812 63.100 0.263 0.000 0.763 68 P CB 0.243 32.077 31.700 0.225 0.000 0.776 69 A N 5.009 128.020 122.820 0.317 0.000 1.898 69 A HA 0.056 4.376 4.320 0.000 0.000 0.214 69 A C 0.870 178.386 177.584 -0.114 0.000 1.183 69 A CA 1.124 53.245 52.037 0.141 0.000 0.622 69 A CB -0.285 18.660 19.000 -0.091 0.000 0.824 69 A HN 0.542 nan 8.150 nan 0.000 0.444 70 I N 0.628 121.076 120.570 -0.203 0.000 2.468 70 I HA 0.471 4.641 4.170 0.000 0.000 0.284 70 I C -1.211 174.763 176.117 -0.238 0.000 1.038 70 I CA -0.579 60.377 61.300 -0.573 0.000 1.083 70 I CB 1.444 38.654 38.000 -1.317 0.000 1.223 70 I HN 0.358 nan 8.210 nan 0.000 0.443 71 F N 4.784 124.625 119.950 -0.180 0.000 2.664 71 F HA 0.761 5.288 4.527 -0.000 0.000 0.317 71 F C -3.012 172.740 175.800 -0.079 0.000 1.108 71 F CA -3.388 54.567 58.000 -0.074 0.000 0.957 71 F CB 0.400 39.392 39.000 -0.013 0.000 1.365 71 F HN 0.047 nan 8.300 nan 0.000 0.475 72 P HA 0.141 nan 4.420 nan 0.000 0.260 72 P C -0.063 177.241 177.300 0.008 0.000 1.207 72 P CA 0.404 63.515 63.100 0.018 0.000 0.780 72 P CB 0.696 32.421 31.700 0.041 0.000 0.789 73 S N 2.078 117.675 115.700 -0.172 0.000 3.067 73 S HA 0.636 5.106 4.470 0.000 0.000 0.253 73 S C 0.000 174.439 174.600 -0.269 0.000 0.942 73 S CA -0.198 57.904 58.200 -0.164 0.000 1.197 73 S CB 0.056 63.119 63.200 -0.227 0.000 1.143 73 S HN 0.504 nan 8.310 nan 0.000 0.638 74 A N 1.298 123.861 122.820 -0.427 0.000 2.586 74 A HA 0.798 5.118 4.320 0.000 0.000 0.291 74 A C -2.772 174.440 177.584 -0.621 0.000 1.062 74 A CA -1.267 50.389 52.037 -0.635 0.000 0.666 74 A CB 0.135 18.390 19.000 -1.242 0.000 1.281 74 A HN -0.017 nan 8.150 nan 0.000 0.421 75 P HA -0.149 nan 4.420 nan 0.000 0.215 75 P C 1.181 178.341 177.300 -0.233 0.000 1.157 75 P CA 2.165 65.119 63.100 -0.244 0.000 0.874 75 P CB -0.258 31.380 31.700 -0.104 0.000 0.790 76 F N -0.243 119.666 119.950 -0.069 0.000 2.641 76 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 76 F C 0.334 176.068 175.800 -0.112 0.000 1.146 76 F CA 0.678 58.618 58.000 -0.099 0.000 1.464 76 F CB -1.223 37.706 39.000 -0.117 0.000 1.101 76 F HN 0.006 nan 8.300 nan 0.000 0.585 77 D N -1.133 119.161 120.400 -0.176 0.000 2.822 77 D HA 0.046 4.686 4.640 0.000 0.000 0.327 77 D C 0.987 177.220 176.300 -0.113 0.000 1.577 77 D CA -0.321 53.644 54.000 -0.058 0.000 0.785 77 D CB -1.314 39.562 40.800 0.127 0.000 1.199 77 D HN 0.224 nan 8.370 nan 0.000 0.443 78 I N 0.854 121.334 120.570 -0.150 0.000 2.493 78 I HA -0.025 4.145 4.170 0.000 0.000 0.254 78 I C 0.776 176.852 176.117 -0.069 0.000 1.160 78 I CA 1.102 62.332 61.300 -0.117 0.000 1.445 78 I CB -0.178 37.751 38.000 -0.119 0.000 1.086 78 I HN 0.032 nan 8.210 nan 0.000 0.433 79 N N 0.968 119.623 118.700 -0.075 0.000 2.235 79 N HA 0.323 5.063 4.740 0.000 0.000 0.209 79 N C 0.141 175.626 175.510 -0.041 0.000 1.122 79 N CA 0.767 53.782 53.050 -0.058 0.000 0.845 79 N CB 0.661 39.106 38.487 -0.071 0.000 1.004 79 N HN 0.363 nan 8.380 nan 0.000 0.499 80 G N -0.074 108.715 108.800 -0.019 0.000 2.306 80 G HA2 -0.039 3.921 3.960 0.000 0.000 0.340 80 G HA3 -0.039 3.921 3.960 0.000 0.000 0.340 80 G C -1.232 173.750 174.900 0.138 0.000 1.630 80 G CA -0.954 44.203 45.100 0.095 0.000 0.937 80 G HN 0.134 nan 8.290 nan 0.000 0.693 81 C N 2.734 122.216 119.300 0.304 0.000 2.176 81 C HA 0.625 5.085 4.460 0.000 0.000 0.329 81 C C 0.563 175.987 174.990 0.723 0.000 1.113 81 C CA -0.958 58.282 59.018 0.370 0.000 1.562 81 C CB -1.604 26.155 27.740 0.031 0.000 2.040 81 C HN 0.550 nan 8.230 nan 0.000 0.460 82 W N 1.369 122.914 121.300 0.409 0.000 1.971 82 W HA 0.434 5.094 4.660 0.000 0.000 0.476 82 W C 0.911 177.738 176.519 0.513 0.000 1.983 82 W CA -0.849 56.727 57.345 0.384 0.000 2.229 82 W CB -0.342 29.282 29.460 0.273 0.000 1.624 82 W HN 0.390 nan 8.180 nan 0.000 0.751 83 S N -0.161 115.845 115.700 0.509 0.000 2.584 83 S HA 0.596 5.066 4.470 0.000 0.000 0.270 83 S C 0.250 175.108 174.600 0.429 0.000 1.346 83 S CA 0.485 58.857 58.200 0.287 0.000 1.018 83 S CB 0.572 63.834 63.200 0.104 0.000 0.899 83 S HN 0.646 nan 8.310 nan 0.000 0.542 84 G N 0.209 109.238 108.800 0.381 0.000 2.428 84 G HA2 0.536 4.496 3.960 0.000 0.000 0.304 84 G HA3 0.536 4.496 3.960 0.000 0.000 0.304 84 G C -1.721 173.382 174.900 0.340 0.000 1.303 84 G CA -0.601 44.751 45.100 0.420 0.000 0.825 84 G HN 0.676 nan 8.290 nan 0.000 0.484 85 S N -1.222 114.660 115.700 0.303 0.000 2.564 85 S HA 0.797 5.267 4.470 0.000 0.000 0.274 85 S C -0.121 174.609 174.600 0.217 0.000 1.124 85 S CA 0.032 58.378 58.200 0.242 0.000 0.869 85 S CB 1.756 65.094 63.200 0.230 0.000 1.105 85 S HN 1.629 nan 8.310 nan 0.000 0.472 86 A N 1.796 124.746 122.820 0.218 0.000 2.301 86 A HA 0.692 5.012 4.320 0.000 0.000 0.298 86 A C -0.089 177.636 177.584 0.235 0.000 1.185 86 A CA -0.337 51.819 52.037 0.199 0.000 0.830 86 A CB 0.127 19.260 19.000 0.222 0.000 1.112 86 A HN 0.606 nan 8.150 nan 0.000 0.508 87 T N 3.601 118.269 114.554 0.190 0.000 2.797 87 T HA 0.460 4.810 4.350 0.000 0.000 0.279 87 T C -0.196 174.564 174.700 0.100 0.000 0.991 87 T CA -0.260 61.952 62.100 0.187 0.000 0.979 87 T CB 0.739 69.703 68.868 0.160 0.000 0.943 87 T HN 0.416 nan 8.240 nan 0.000 0.444 88 I N 4.461 125.142 120.570 0.185 0.000 2.297 88 I HA 0.296 4.466 4.170 0.000 0.000 0.291 88 I C 0.342 176.552 176.117 0.155 0.000 1.033 88 I CA -0.518 60.883 61.300 0.169 0.000 1.253 88 I CB 0.483 38.644 38.000 0.268 0.000 1.396 88 I HN 0.486 nan 8.210 nan 0.000 0.476 89 L N 8.141 129.385 121.223 0.036 0.000 2.453 89 L HA 0.228 4.568 4.340 0.000 0.000 0.261 89 L C -0.984 175.997 176.870 0.184 0.000 1.179 89 L CA -1.356 53.521 54.840 0.061 0.000 0.813 89 L CB 0.126 42.101 42.059 -0.140 0.000 1.110 89 L HN 0.291 nan 8.230 nan 0.000 0.466 90 P HA -0.204 nan 4.420 nan 0.000 0.218 90 P C 0.781 178.171 177.300 0.149 0.000 1.154 90 P CA 1.391 64.619 63.100 0.213 0.000 0.872 90 P CB -0.123 31.707 31.700 0.216 0.000 0.790 91 N N -1.140 117.632 118.700 0.120 0.000 2.575 91 N HA -0.009 4.731 4.740 0.000 0.000 0.192 91 N C 1.238 176.808 175.510 0.100 0.000 1.200 91 N CA 1.194 54.299 53.050 0.091 0.000 0.897 91 N CB -1.087 37.438 38.487 0.063 0.000 0.990 91 N HN 0.259 nan 8.380 nan 0.000 0.449 92 G N -0.347 108.530 108.800 0.128 0.000 2.195 92 G HA2 -0.319 3.641 3.960 0.000 0.000 0.246 92 G HA3 -0.319 3.641 3.960 0.000 0.000 0.246 92 G C -0.117 174.908 174.900 0.209 0.000 0.984 92 G CA 0.213 45.418 45.100 0.175 0.000 0.633 92 G HN 0.603 nan 8.290 nan 0.000 0.525 93 K N 1.998 122.451 120.400 0.088 0.000 2.339 93 K HA 0.448 4.768 4.320 0.000 0.000 0.286 93 K C -2.280 174.267 176.600 -0.088 0.000 1.050 93 K CA -1.663 54.607 56.287 -0.027 0.000 0.956 93 K CB 1.214 33.665 32.500 -0.083 0.000 0.990 93 K HN 0.127 nan 8.250 nan 0.000 0.475 94 P HA 0.099 nan 4.420 nan 0.000 0.290 94 P C -1.056 176.192 177.300 -0.087 0.000 1.276 94 P CA -0.548 62.489 63.100 -0.104 0.000 0.808 94 P CB 1.336 32.954 31.700 -0.136 0.000 0.966 95 V N 1.747 121.649 119.914 -0.021 0.000 2.823 95 V HA 0.624 4.744 4.120 0.000 0.000 0.312 95 V C -0.490 175.672 176.094 0.114 0.000 1.072 95 V CA -1.117 61.211 62.300 0.047 0.000 0.937 95 V CB 2.000 33.766 31.823 -0.096 0.000 1.013 95 V HN 0.307 nan 8.190 nan 0.000 0.430 96 I N 4.034 124.665 120.570 0.101 0.000 2.392 96 I HA 0.486 4.656 4.170 0.000 0.000 0.295 96 I C -0.564 175.546 176.117 -0.011 0.000 0.985 96 I CA -0.573 60.687 61.300 -0.065 0.000 1.221 96 I CB 1.774 39.468 38.000 -0.511 0.000 1.366 96 I HN 0.484 nan 8.210 nan 0.000 0.467 97 L N 7.366 128.598 121.223 0.015 0.000 2.313 97 L HA 0.516 4.856 4.340 0.000 0.000 0.283 97 L C -1.047 175.833 176.870 0.017 0.000 1.013 97 L CA -0.772 54.027 54.840 -0.069 0.000 0.816 97 L CB 1.183 43.146 42.059 -0.159 0.000 1.236 97 L HN 0.529 nan 8.230 nan 0.000 0.419 98 Y N -0.059 120.113 120.300 -0.213 0.000 2.562 98 Y HA 0.570 5.120 4.550 -0.000 0.000 0.345 98 Y C -0.493 175.348 175.900 -0.098 0.000 1.045 98 Y CA -1.142 56.903 58.100 -0.091 0.000 1.028 98 Y CB 1.275 39.566 38.460 -0.282 0.000 1.297 98 Y HN 0.307 nan 8.280 nan 0.000 0.463 99 T N 2.542 117.135 114.554 0.064 0.000 2.814 99 T HA 0.530 4.880 4.350 0.000 0.000 0.297 99 T C 0.253 174.957 174.700 0.008 0.000 0.956 99 T CA 0.246 62.315 62.100 -0.053 0.000 1.123 99 T CB 0.492 69.427 68.868 0.112 0.000 0.902 99 T HN 0.977 nan 8.240 nan 0.000 0.528 100 G N 2.396 111.075 108.800 -0.201 0.000 2.420 100 G HA2 0.609 4.569 3.960 0.000 0.000 0.331 100 G HA3 0.609 4.569 3.960 0.000 0.000 0.331 100 G C -0.728 174.034 174.900 -0.229 0.000 1.168 100 G CA -0.706 44.328 45.100 -0.110 0.000 0.936 100 G HN 0.602 nan 8.290 nan 0.000 0.479 101 I N 2.750 123.146 120.570 -0.291 0.000 2.304 101 I HA 0.211 4.381 4.170 0.000 0.000 0.291 101 I C 0.018 176.035 176.117 -0.166 0.000 1.018 101 I CA -1.040 60.065 61.300 -0.325 0.000 1.260 101 I CB 0.769 38.487 38.000 -0.469 0.000 1.390 101 I HN 0.642 nan 8.210 nan 0.000 0.475 102 D N 8.359 128.687 120.400 -0.120 0.000 2.478 102 D HA 0.286 4.926 4.640 0.000 0.000 0.269 102 D C -2.230 174.030 176.300 -0.067 0.000 1.232 102 D CA -1.893 52.065 54.000 -0.069 0.000 1.059 102 D CB 0.373 41.153 40.800 -0.032 0.000 1.104 102 D HN 0.118 nan 8.370 nan 0.000 0.566 103 P HA -0.055 nan 4.420 nan 0.000 0.222 103 P C 0.506 177.784 177.300 -0.036 0.000 1.147 103 P CA 1.442 64.515 63.100 -0.045 0.000 0.790 103 P CB 0.109 31.787 31.700 -0.038 0.000 0.780 104 K N -0.360 120.020 120.400 -0.033 0.000 2.469 104 K HA 0.115 4.435 4.320 0.000 0.000 0.201 104 K C -0.072 176.509 176.600 -0.031 0.000 1.028 104 K CA -0.141 56.130 56.287 -0.026 0.000 1.170 104 K CB -0.495 31.992 32.500 -0.021 0.000 0.874 104 K HN 0.047 nan 8.250 nan 0.000 0.507 105 N N 2.598 121.271 118.700 -0.046 0.000 2.714 105 N HA -0.203 4.537 4.740 0.000 0.000 0.252 105 N C -0.929 174.542 175.510 -0.065 0.000 1.014 105 N CA 1.105 54.118 53.050 -0.061 0.000 0.735 105 N CB -0.951 37.520 38.487 -0.027 0.000 0.924 105 N HN 0.504 nan 8.380 nan 0.000 0.540 106 Q N 0.197 119.956 119.800 -0.068 0.000 2.274 106 Q HA 0.336 4.676 4.340 0.000 0.000 0.260 106 Q C -0.082 175.872 176.000 -0.078 0.000 0.974 106 Q CA -0.524 55.250 55.803 -0.047 0.000 0.876 106 Q CB 1.549 30.275 28.738 -0.020 0.000 1.297 106 Q HN 0.172 nan 8.270 nan 0.000 0.446 107 Q N 1.534 121.310 119.800 -0.040 0.000 2.294 107 Q HA 0.372 4.712 4.340 0.000 0.000 0.257 107 Q C -0.509 175.514 176.000 0.038 0.000 0.955 107 Q CA -0.410 55.355 55.803 -0.064 0.000 0.936 107 Q CB 1.037 29.769 28.738 -0.009 0.000 1.188 107 Q HN 0.462 nan 8.270 nan 0.000 0.420 108 V N -0.404 119.462 119.914 -0.079 0.000 3.040 108 V HA 0.514 4.634 4.120 0.000 0.000 0.312 108 V C -1.201 174.727 176.094 -0.276 0.000 1.115 108 V CA -1.187 61.062 62.300 -0.084 0.000 0.998 108 V CB 2.374 34.158 31.823 -0.065 0.000 1.042 108 V HN 0.525 nan 8.190 nan 0.000 0.433 109 Q N 2.813 122.400 119.800 -0.354 0.000 2.314 109 Q HA 0.587 4.927 4.340 0.000 0.000 0.259 109 Q C -1.048 174.614 176.000 -0.563 0.000 0.951 109 Q CA -0.278 55.215 55.803 -0.517 0.000 0.909 109 Q CB 1.394 29.764 28.738 -0.614 0.000 1.236 109 Q HN 0.852 nan 8.270 nan 0.000 0.444 110 N N 1.849 120.100 118.700 -0.748 0.000 2.402 110 N HA 0.555 5.295 4.740 0.000 0.000 0.294 110 N C -0.707 174.433 175.510 -0.616 0.000 1.203 110 N CA -0.620 51.961 53.050 -0.782 0.000 0.838 110 N CB 2.232 40.117 38.487 -1.003 0.000 1.306 110 N HN 0.508 nan 8.380 nan 0.000 0.510 111 I N 0.446 120.787 120.570 -0.383 0.000 2.493 111 I HA 0.642 4.812 4.170 0.000 0.000 0.298 111 I C -0.871 175.233 176.117 -0.022 0.000 0.998 111 I CA -0.564 60.648 61.300 -0.147 0.000 1.137 111 I CB 1.294 39.257 38.000 -0.062 0.000 1.310 111 I HN 0.597 nan 8.210 nan 0.000 0.445 112 A N 6.499 129.349 122.820 0.051 0.000 2.413 112 A HA 0.819 5.139 4.320 0.000 0.000 0.307 112 A C -1.295 176.415 177.584 0.211 0.000 1.087 112 A CA -0.488 51.601 52.037 0.086 0.000 0.750 112 A CB 1.514 20.467 19.000 -0.079 0.000 1.296 112 A HN 0.750 nan 8.150 nan 0.000 0.423 113 E N 0.737 121.072 120.200 0.225 0.000 2.392 113 E HA 0.583 4.933 4.350 0.000 0.000 0.279 113 E C -3.116 173.263 176.600 -0.369 0.000 0.964 113 E CA -2.214 54.190 56.400 0.007 0.000 0.777 113 E CB 1.807 31.454 29.700 -0.089 0.000 1.249 113 E HN 0.243 nan 8.360 nan 0.000 0.449 114 P HA -0.029 nan 4.420 nan 0.000 0.264 114 P C -0.058 176.934 177.300 -0.514 0.000 1.183 114 P CA 0.039 62.474 63.100 -1.109 0.000 0.763 114 P CB 0.694 31.783 31.700 -1.019 0.000 0.807 115 K N 2.397 122.562 120.400 -0.391 0.000 2.296 115 K HA -0.061 4.259 4.320 0.000 0.000 0.200 115 K C 0.281 176.786 176.600 -0.159 0.000 1.048 115 K CA 0.861 57.033 56.287 -0.191 0.000 0.966 115 K CB 0.097 32.535 32.500 -0.103 0.000 0.754 115 K HN 0.331 nan 8.250 nan 0.000 0.466 116 N N 0.315 118.897 118.700 -0.196 0.000 2.594 116 N HA 0.088 4.828 4.740 0.000 0.000 0.280 116 N C -0.010 175.413 175.510 -0.145 0.000 1.156 116 N CA -0.211 52.764 53.050 -0.125 0.000 0.831 116 N CB 0.983 39.432 38.487 -0.064 0.000 1.379 116 N HN -0.028 nan 8.380 nan 0.000 0.536 117 L N 1.013 122.160 121.223 -0.128 0.000 2.362 117 L HA -0.006 4.334 4.340 0.000 0.000 0.219 117 L C 1.586 178.491 176.870 0.059 0.000 1.134 117 L CA 0.722 55.512 54.840 -0.083 0.000 0.807 117 L CB -0.087 41.941 42.059 -0.052 0.000 0.927 117 L HN 0.407 nan 8.230 nan 0.000 0.447 118 S N -1.396 114.315 115.700 0.017 0.000 2.489 118 S HA -0.080 4.390 4.470 0.000 0.000 0.228 118 S C 0.702 175.314 174.600 0.019 0.000 0.995 118 S CA 0.200 58.413 58.200 0.023 0.000 0.934 118 S CB -0.290 62.912 63.200 0.003 0.000 0.771 118 S HN 0.350 nan 8.310 nan 0.000 0.522 119 D N 2.215 122.625 120.400 0.016 0.000 2.344 119 D HA 0.147 4.787 4.640 0.000 0.000 0.253 119 D C -1.873 174.441 176.300 0.024 0.000 1.255 119 D CA -2.214 51.800 54.000 0.022 0.000 0.894 119 D CB 1.186 42.009 40.800 0.039 0.000 1.067 119 D HN 0.026 nan 8.370 nan 0.000 0.492 120 P HA -0.088 nan 4.420 nan 0.000 0.223 120 P C 0.449 177.676 177.300 -0.122 0.000 1.151 120 P CA 0.989 63.981 63.100 -0.179 0.000 0.787 120 P CB -0.041 31.369 31.700 -0.483 0.000 0.788 121 Y N -0.963 119.446 120.300 0.182 0.000 2.490 121 Y HA 0.221 4.771 4.550 -0.000 0.000 0.281 121 Y C 1.029 177.101 175.900 0.288 0.000 1.174 121 Y CA -0.541 57.652 58.100 0.155 0.000 1.295 121 Y CB -0.636 37.756 38.460 -0.114 0.000 1.062 121 Y HN -0.318 nan 8.280 nan 0.000 0.522 122 L N 0.809 122.209 121.223 0.295 0.000 3.965 122 L HA -0.395 3.945 4.340 0.000 0.000 0.476 122 L C 1.275 178.382 176.870 0.396 0.000 1.201 122 L CA 0.244 55.173 54.840 0.148 0.000 0.710 122 L CB -1.040 41.036 42.059 0.029 0.000 1.509 122 L HN 0.434 nan 8.230 nan 0.000 0.815 123 R N 0.315 120.982 120.500 0.279 0.000 2.073 123 R HA 0.037 4.377 4.340 0.000 0.000 0.229 123 R C 0.490 177.039 176.300 0.415 0.000 1.120 123 R CA 1.055 57.365 56.100 0.350 0.000 0.967 123 R CB 0.142 30.568 30.300 0.209 0.000 0.862 123 R HN 0.540 nan 8.270 nan 0.000 0.436 124 E N -0.644 119.699 120.200 0.238 0.000 2.171 124 E HA 0.164 4.514 4.350 0.000 0.000 0.271 124 E C -1.418 175.229 176.600 0.079 0.000 0.916 124 E CA -0.504 56.029 56.400 0.222 0.000 0.774 124 E CB 1.396 31.166 29.700 0.118 0.000 1.128 124 E HN 0.006 nan 8.360 nan 0.000 0.403 125 W N 2.760 124.023 121.300 -0.060 0.000 2.761 125 W HA 0.335 4.995 4.660 -0.000 0.000 0.340 125 W C -0.170 176.265 176.519 -0.141 0.000 1.072 125 W CA -0.752 56.511 57.345 -0.135 0.000 1.215 125 W CB 1.258 30.577 29.460 -0.235 0.000 1.420 125 W HN 0.330 nan 8.180 nan 0.000 0.519 126 K N 1.293 121.730 120.400 0.063 0.000 2.238 126 K HA 0.833 5.153 4.320 0.000 0.000 0.239 126 K C -0.912 175.711 176.600 0.039 0.000 0.987 126 K CA -1.121 55.179 56.287 0.021 0.000 0.857 126 K CB 2.220 34.714 32.500 -0.011 0.000 1.154 126 K HN 0.397 nan 8.250 nan 0.000 0.439 127 K N 0.761 121.191 120.400 0.050 0.000 2.378 127 K HA 0.183 4.503 4.320 0.000 0.000 0.252 127 K C -0.960 175.667 176.600 0.046 0.000 0.931 127 K CA -0.882 55.452 56.287 0.078 0.000 0.794 127 K CB 2.181 34.814 32.500 0.222 0.000 1.181 127 K HN 0.694 nan 8.250 nan 0.000 0.425 128 S N 2.220 117.882 115.700 -0.064 0.000 2.549 128 S HA 0.117 4.587 4.470 0.000 0.000 0.283 128 S C -1.701 172.839 174.600 -0.100 0.000 1.320 128 S CA -1.113 57.035 58.200 -0.086 0.000 1.058 128 S CB 0.408 63.536 63.200 -0.120 0.000 0.882 128 S HN 0.322 nan 8.310 nan 0.000 0.498 129 P HA 0.032 nan 4.420 nan 0.000 0.230 129 P C 0.653 177.934 177.300 -0.032 0.000 1.158 129 P CA 0.776 63.894 63.100 0.030 0.000 0.769 129 P CB 0.006 31.727 31.700 0.034 0.000 0.807 130 L N -2.184 118.981 121.223 -0.097 0.000 2.591 130 L HA 0.095 4.435 4.340 0.000 0.000 0.228 130 L C 0.650 177.396 176.870 -0.206 0.000 1.133 130 L CA -0.082 54.695 54.840 -0.105 0.000 0.880 130 L CB -0.697 41.321 42.059 -0.069 0.000 1.033 130 L HN -0.047 nan 8.230 nan 0.000 0.450 131 N N 1.923 120.367 118.700 -0.427 0.000 2.441 131 N HA 0.123 4.863 4.740 0.000 0.000 0.251 131 N C -2.232 173.018 175.510 -0.433 0.000 1.242 131 N CA -0.924 51.701 53.050 -0.708 0.000 0.898 131 N CB 0.414 37.858 38.487 -1.738 0.000 1.100 131 N HN -0.033 nan 8.380 nan 0.000 0.443 132 P HA 0.147 nan 4.420 nan 0.000 0.285 132 P C 0.583 177.734 177.300 -0.248 0.000 1.259 132 P CA -0.471 62.434 63.100 -0.325 0.000 0.794 132 P CB 0.988 32.574 31.700 -0.190 0.000 0.940 133 L N 1.965 123.010 121.223 -0.297 0.000 2.109 133 L HA 0.081 4.421 4.340 0.000 0.000 0.207 133 L C 1.281 178.038 176.870 -0.188 0.000 1.086 133 L CA 1.898 56.617 54.840 -0.200 0.000 0.760 133 L CB -0.711 41.193 42.059 -0.258 0.000 0.910 133 L HN 0.464 nan 8.230 nan 0.000 0.437 134 M N -1.833 117.587 119.600 -0.300 0.000 2.386 134 M HA 0.631 5.111 4.480 0.000 0.000 0.293 134 M C -0.872 175.392 176.300 -0.059 0.000 1.120 134 M CA -0.176 54.956 55.300 -0.281 0.000 0.909 134 M CB 2.742 34.878 32.600 -0.773 0.000 1.661 134 M HN -0.110 nan 8.290 nan 0.000 0.452 135 A N 2.488 125.363 122.820 0.093 0.000 2.608 135 A HA 0.962 5.282 4.320 0.000 0.000 0.292 135 A C -3.126 174.464 177.584 0.010 0.000 1.066 135 A CA -1.306 50.815 52.037 0.141 0.000 0.676 135 A CB 1.309 20.329 19.000 0.034 0.000 1.277 135 A HN 0.452 nan 8.150 nan 0.000 0.413 136 P HA 0.532 nan 4.420 nan 0.000 0.278 136 P C -1.226 176.024 177.300 -0.084 0.000 1.238 136 P CA 0.256 63.251 63.100 -0.176 0.000 0.794 136 P CB 0.845 32.442 31.700 -0.171 0.000 0.955 137 D N -0.266 120.081 120.400 -0.088 0.000 2.692 137 D HA 0.425 5.065 4.640 0.000 0.000 0.303 137 D C 0.685 176.949 176.300 -0.059 0.000 1.278 137 D CA -0.876 53.091 54.000 -0.055 0.000 0.852 137 D CB -0.083 40.697 40.800 -0.034 0.000 1.375 137 D HN 0.144 nan 8.370 nan 0.000 0.453 138 A N -0.274 122.520 122.820 -0.044 0.000 1.940 138 A HA -0.047 4.273 4.320 0.000 0.000 0.219 138 A C 1.978 179.534 177.584 -0.046 0.000 1.176 138 A CA 2.143 54.154 52.037 -0.042 0.000 0.631 138 A CB -0.951 18.031 19.000 -0.030 0.000 0.814 138 A HN 0.372 nan 8.150 nan 0.000 0.446 139 V N 1.794 121.682 119.914 -0.044 0.000 2.255 139 V HA -0.255 3.865 4.120 0.000 0.000 0.243 139 V C 2.411 178.467 176.094 -0.062 0.000 1.038 139 V CA 2.222 64.496 62.300 -0.045 0.000 1.008 139 V CB -1.260 30.542 31.823 -0.034 0.000 0.645 139 V HN 0.891 nan 8.190 nan 0.000 0.449 140 N N 1.337 119.993 118.700 -0.075 0.000 2.309 140 N HA 0.011 4.751 4.740 0.000 0.000 0.182 140 N C 1.488 176.925 175.510 -0.123 0.000 1.018 140 N CA 1.357 54.343 53.050 -0.105 0.000 0.876 140 N CB -0.658 37.757 38.487 -0.120 0.000 0.972 140 N HN 0.572 nan 8.380 nan 0.000 0.434 141 G N -0.228 108.503 108.800 -0.115 0.000 2.168 141 G HA2 -0.302 3.658 3.960 0.000 0.000 0.257 141 G HA3 -0.302 3.658 3.960 0.000 0.000 0.257 141 G C -0.108 174.702 174.900 -0.151 0.000 0.997 141 G CA 0.356 45.387 45.100 -0.114 0.000 0.708 141 G HN 0.461 nan 8.290 nan 0.000 0.520 142 I N 0.488 120.932 120.570 -0.210 0.000 2.634 142 I HA 0.084 4.254 4.170 0.000 0.000 0.284 142 I C 0.745 176.732 176.117 -0.216 0.000 1.124 142 I CA -0.299 60.829 61.300 -0.287 0.000 1.417 142 I CB 0.431 38.079 38.000 -0.586 0.000 1.396 142 I HN 0.127 nan 8.210 nan 0.000 0.571 143 N N 4.640 123.246 118.700 -0.155 0.000 2.431 143 N HA 0.179 4.919 4.740 0.000 0.000 0.265 143 N C 0.824 176.319 175.510 -0.024 0.000 1.184 143 N CA -0.076 52.923 53.050 -0.084 0.000 0.943 143 N CB 1.197 39.642 38.487 -0.070 0.000 1.080 143 N HN 0.731 nan 8.380 nan 0.000 0.477 144 A N 1.727 124.535 122.820 -0.021 0.000 2.172 144 A HA -0.079 4.241 4.320 0.000 0.000 0.216 144 A C 1.570 179.190 177.584 0.060 0.000 1.154 144 A CA 0.992 53.042 52.037 0.021 0.000 0.701 144 A CB 0.008 19.005 19.000 -0.005 0.000 0.789 144 A HN 0.572 nan 8.150 nan 0.000 0.465 145 S N -0.650 115.086 115.700 0.060 0.000 2.524 145 S HA 0.163 4.633 4.470 0.000 0.000 0.215 145 S C 0.416 175.097 174.600 0.135 0.000 0.986 145 S CA 0.111 58.362 58.200 0.085 0.000 0.911 145 S CB 0.350 63.591 63.200 0.067 0.000 0.805 145 S HN 0.348 nan 8.310 nan 0.000 0.501 146 S N 1.694 117.482 115.700 0.147 0.000 2.112 146 S HA 0.498 4.968 4.470 0.000 0.000 0.151 146 S C -1.145 173.625 174.600 0.282 0.000 1.723 146 S CA -0.431 57.879 58.200 0.182 0.000 1.263 146 S CB 0.184 63.454 63.200 0.117 0.000 1.194 146 S HN 0.358 nan 8.310 nan 0.000 0.419 147 F N 3.671 123.670 119.950 0.081 0.000 3.397 147 F HA 0.379 4.906 4.527 -0.000 0.000 0.406 147 F C -0.597 175.247 175.800 0.073 0.000 1.166 147 F CA -0.441 57.597 58.000 0.063 0.000 1.322 147 F CB 0.378 39.392 39.000 0.023 0.000 2.322 147 F HN 0.440 nan 8.300 nan 0.000 0.709 148 R N 1.469 121.922 120.500 -0.078 0.000 2.752 148 R HA 0.669 5.009 4.340 0.000 0.000 0.271 148 R C -1.630 174.667 176.300 -0.005 0.000 1.026 148 R CA -0.904 55.160 56.100 -0.061 0.000 0.901 148 R CB 1.259 31.679 30.300 0.201 0.000 1.243 148 R HN 0.140 nan 8.270 nan 0.000 0.463 149 D N -0.619 119.807 120.400 0.042 0.000 3.293 149 D HA -0.064 4.576 4.640 0.000 0.000 0.252 149 D C -2.501 173.827 176.300 0.048 0.000 1.073 149 D CA 0.211 54.268 54.000 0.095 0.000 0.957 149 D CB -0.940 39.944 40.800 0.140 0.000 0.987 149 D HN 0.424 nan 8.370 nan 0.000 0.422 150 P HA 0.105 nan 4.420 nan 0.000 0.268 150 P C 0.707 178.060 177.300 0.089 0.000 1.204 150 P CA -0.054 63.022 63.100 -0.040 0.000 0.768 150 P CB 0.623 32.227 31.700 -0.160 0.000 0.842 151 T N -0.207 114.439 114.554 0.153 0.000 2.754 151 T HA 0.201 4.551 4.350 0.000 0.000 0.286 151 T C 0.285 175.157 174.700 0.287 0.000 0.997 151 T CA -0.520 61.742 62.100 0.271 0.000 0.982 151 T CB -0.311 68.805 68.868 0.415 0.000 1.027 151 T HN 0.199 nan 8.240 nan 0.000 0.529 152 T N 1.898 116.672 114.554 0.367 0.000 2.928 152 T HA 0.456 4.806 4.350 0.000 0.000 0.305 152 T C 0.586 175.622 174.700 0.560 0.000 1.035 152 T CA -0.058 62.292 62.100 0.417 0.000 1.145 152 T CB 0.022 69.145 68.868 0.425 0.000 0.963 152 T HN 0.941 nan 8.240 nan 0.000 0.545 153 A N 3.144 126.287 122.820 0.539 0.000 2.286 153 A HA 0.675 4.995 4.320 0.000 0.000 0.286 153 A C -0.553 177.568 177.584 0.895 0.000 1.097 153 A CA -0.862 51.532 52.037 0.594 0.000 0.821 153 A CB 0.349 19.724 19.000 0.624 0.000 1.076 153 A HN 0.967 nan 8.150 nan 0.000 0.490 154 W N 0.831 122.541 121.300 0.682 0.000 2.883 154 W HA 0.591 5.251 4.660 0.000 0.000 0.335 154 W C -1.596 175.059 176.519 0.227 0.000 1.083 154 W CA -1.206 56.418 57.345 0.464 0.000 1.233 154 W CB 0.844 30.480 29.460 0.293 0.000 1.412 154 W HN 0.509 nan 8.180 nan 0.000 0.490 155 L N 4.731 125.873 121.223 -0.135 0.000 2.278 155 L HA 0.706 5.046 4.340 0.000 0.000 0.287 155 L C 0.570 177.362 176.870 -0.131 0.000 1.072 155 L CA 0.118 54.549 54.840 -0.682 0.000 0.819 155 L CB 0.300 41.653 42.059 -1.176 0.000 1.176 155 L HN 0.771 nan 8.230 nan 0.000 0.435 156 G N 3.526 112.311 108.800 -0.026 0.000 2.572 156 G HA2 0.213 4.173 3.960 0.000 0.000 0.261 156 G HA3 0.213 4.173 3.960 0.000 0.000 0.261 156 G C 0.550 175.621 174.900 0.286 0.000 1.197 156 G CA 0.051 45.285 45.100 0.224 0.000 0.870 156 G HN 0.768 nan 8.290 nan 0.000 0.548 157 Q N 0.723 120.800 119.800 0.462 0.000 2.156 157 Q HA -0.225 4.115 4.340 0.000 0.000 0.211 157 Q C 1.203 177.243 176.000 0.066 0.000 0.995 157 Q CA 2.260 58.180 55.803 0.196 0.000 0.877 157 Q CB -0.808 27.946 28.738 0.027 0.000 0.920 157 Q HN 0.672 nan 8.270 nan 0.000 0.416 158 D N -0.032 120.407 120.400 0.065 0.000 2.324 158 D HA 0.059 4.699 4.640 0.000 0.000 0.235 158 D C -0.066 176.236 176.300 0.003 0.000 1.095 158 D CA 0.278 54.292 54.000 0.024 0.000 0.871 158 D CB -0.038 40.778 40.800 0.027 0.000 0.906 158 D HN 0.447 nan 8.370 nan 0.000 0.522 159 K N -1.415 118.977 120.400 -0.014 0.000 3.472 159 K HA -0.217 4.103 4.320 0.000 0.000 0.315 159 K C -0.450 176.086 176.600 -0.106 0.000 1.320 159 K CA 0.842 57.089 56.287 -0.067 0.000 0.962 159 K CB -1.411 31.076 32.500 -0.022 0.000 1.251 159 K HN 0.301 nan 8.250 nan 0.000 0.443 160 K N 0.309 120.659 120.400 -0.083 0.000 2.183 160 K HA 0.270 4.590 4.320 0.000 0.000 0.274 160 K C -0.245 176.291 176.600 -0.107 0.000 1.009 160 K CA -0.679 55.573 56.287 -0.058 0.000 0.888 160 K CB 0.668 33.159 32.500 -0.014 0.000 1.078 160 K HN 0.009 nan 8.250 nan 0.000 0.459 161 W N 1.568 122.817 121.300 -0.085 0.000 2.126 161 W HA 0.229 4.889 4.660 0.000 0.000 0.346 161 W C 0.383 176.807 176.519 -0.157 0.000 1.279 161 W CA -0.095 57.205 57.345 -0.075 0.000 1.259 161 W CB 0.551 29.984 29.460 -0.045 0.000 1.133 161 W HN 0.276 nan 8.180 nan 0.000 0.592 162 R N 0.968 121.404 120.500 -0.107 0.000 2.621 162 R HA 0.731 5.071 4.340 0.000 0.000 0.292 162 R C -1.504 174.410 176.300 -0.642 0.000 0.969 162 R CA -0.959 54.871 56.100 -0.451 0.000 0.887 162 R CB 2.025 31.782 30.300 -0.906 0.000 1.180 162 R HN 0.304 nan 8.270 nan 0.000 0.450 163 V N 4.587 124.339 119.914 -0.270 0.000 2.841 163 V HA 0.645 4.765 4.120 0.000 0.000 0.310 163 V C -1.024 175.049 176.094 -0.036 0.000 1.090 163 V CA -0.806 61.359 62.300 -0.225 0.000 0.930 163 V CB 1.963 33.616 31.823 -0.283 0.000 1.014 163 V HN 0.739 nan 8.190 nan 0.000 0.425 164 I N 3.598 124.248 120.570 0.135 0.000 2.648 164 I HA 0.744 4.914 4.170 0.000 0.000 0.304 164 I C -1.056 175.154 176.117 0.155 0.000 1.009 164 I CA -0.788 60.639 61.300 0.212 0.000 1.114 164 I CB 2.046 40.221 38.000 0.293 0.000 1.293 164 I HN 0.469 nan 8.210 nan 0.000 0.449 165 I N 2.937 123.610 120.570 0.170 0.000 2.545 165 I HA 0.526 4.696 4.170 0.000 0.000 0.292 165 I C 0.591 176.824 176.117 0.194 0.000 1.040 165 I CA -0.545 60.800 61.300 0.075 0.000 1.068 165 I CB 2.085 40.002 38.000 -0.137 0.000 1.251 165 I HN 0.804 nan 8.210 nan 0.000 0.424 166 G N 2.569 111.479 108.800 0.184 0.000 2.442 166 G HA2 0.506 4.466 3.960 0.000 0.000 0.249 166 G HA3 0.506 4.466 3.960 0.000 0.000 0.249 166 G C -0.462 174.599 174.900 0.268 0.000 1.263 166 G CA 0.072 45.340 45.100 0.281 0.000 0.846 166 G HN 0.573 nan 8.290 nan 0.000 0.555 167 S N 0.098 115.947 115.700 0.249 0.000 2.661 167 S HA 0.775 5.245 4.470 0.000 0.000 0.268 167 S C -1.218 173.415 174.600 0.056 0.000 1.162 167 S CA -0.713 57.603 58.200 0.194 0.000 0.817 167 S CB 1.556 64.895 63.200 0.231 0.000 1.141 167 S HN 1.140 nan 8.310 nan 0.000 0.477 168 K N 0.739 121.151 120.400 0.020 0.000 2.568 168 K HA 0.665 4.985 4.320 0.000 0.000 0.273 168 K C -1.809 174.739 176.600 -0.087 0.000 0.951 168 K CA -0.927 55.324 56.287 -0.060 0.000 0.854 168 K CB 1.092 33.582 32.500 -0.017 0.000 1.424 168 K HN 0.405 nan 8.250 nan 0.000 0.427 169 I N 4.161 124.661 120.570 -0.117 0.000 2.439 169 I HA 0.292 4.462 4.170 0.000 0.000 0.283 169 I C 0.412 176.467 176.117 -0.104 0.000 1.023 169 I CA -0.096 61.093 61.300 -0.184 0.000 1.100 169 I CB 0.224 38.138 38.000 -0.144 0.000 1.238 169 I HN 0.851 nan 8.210 nan 0.000 0.445 170 H N 5.020 124.076 119.070 -0.023 0.000 1.452 170 H HA -0.230 4.326 4.556 0.000 0.000 0.090 170 H C 0.902 176.229 175.328 -0.002 0.000 0.648 170 H CA 1.114 57.156 56.048 -0.011 0.000 1.901 170 H CB -0.569 29.184 29.762 -0.016 0.000 2.257 170 H HN 0.542 nan 8.280 nan 0.000 0.961 171 R N 2.432 123.029 120.500 0.161 0.000 2.359 171 R HA 0.137 4.477 4.340 0.000 0.000 0.231 171 R C 1.006 177.342 176.300 0.060 0.000 0.913 171 R CA 0.003 56.156 56.100 0.090 0.000 1.075 171 R CB 0.149 30.495 30.300 0.076 0.000 1.087 171 R HN 0.291 nan 8.270 nan 0.000 0.515 172 R N 1.022 121.542 120.500 0.034 0.000 2.207 172 R HA 0.272 4.612 4.340 0.000 0.000 0.334 172 R C -0.246 175.956 176.300 -0.165 0.000 1.013 172 R CA -0.151 55.932 56.100 -0.028 0.000 0.858 172 R CB 0.938 31.229 30.300 -0.016 0.000 1.094 172 R HN 0.019 nan 8.270 nan 0.000 0.457 173 G N 4.334 112.940 108.800 -0.323 0.000 2.467 173 G HA2 0.436 4.396 3.960 0.000 0.000 0.257 173 G HA3 0.436 4.396 3.960 0.000 0.000 0.257 173 G C -0.681 173.425 174.900 -1.323 0.000 1.227 173 G CA -0.539 44.026 45.100 -0.891 0.000 0.835 173 G HN 0.513 nan 8.290 nan 0.000 0.556 174 L N 0.381 120.967 121.223 -1.062 0.000 2.409 174 L HA 0.657 4.997 4.340 0.000 0.000 0.262 174 L C 0.023 176.788 176.870 -0.175 0.000 0.992 174 L CA -1.175 53.286 54.840 -0.632 0.000 0.817 174 L CB 2.615 44.533 42.059 -0.235 0.000 1.350 174 L HN 0.594 nan 8.230 nan 0.000 0.411 175 A N 3.335 126.210 122.820 0.092 0.000 2.511 175 A HA 0.613 4.933 4.320 0.000 0.000 0.340 175 A C -0.280 177.439 177.584 0.226 0.000 1.396 175 A CA -0.362 51.877 52.037 0.338 0.000 0.887 175 A CB -0.230 19.067 19.000 0.495 0.000 1.145 175 A HN 0.609 nan 8.150 nan 0.000 0.497 176 I N 2.078 122.781 120.570 0.222 0.000 2.556 176 I HA 0.102 4.272 4.170 0.000 0.000 0.284 176 I C 0.362 176.624 176.117 0.241 0.000 1.114 176 I CA 0.539 61.963 61.300 0.206 0.000 1.418 176 I CB 1.112 39.295 38.000 0.305 0.000 1.394 176 I HN 0.458 nan 8.210 nan 0.000 0.552 177 T N 5.628 120.266 114.554 0.140 0.000 2.824 177 T HA 0.502 4.852 4.350 0.000 0.000 0.280 177 T C -0.830 173.911 174.700 0.069 0.000 0.995 177 T CA -0.394 61.794 62.100 0.146 0.000 1.009 177 T CB 0.835 69.774 68.868 0.118 0.000 0.955 177 T HN 0.190 nan 8.240 nan 0.000 0.452 178 Y N 1.279 121.641 120.300 0.104 0.000 2.462 178 Y HA 0.574 5.124 4.550 -0.000 0.000 0.346 178 Y C 0.779 176.837 175.900 0.264 0.000 0.976 178 Y CA -0.845 57.367 58.100 0.187 0.000 1.044 178 Y CB 2.194 40.776 38.460 0.203 0.000 1.230 178 Y HN 0.749 nan 8.280 nan 0.000 0.455 179 T N -1.195 113.566 114.554 0.345 0.000 2.908 179 T HA 0.804 5.154 4.350 0.000 0.000 0.290 179 T C -0.718 173.926 174.700 -0.092 0.000 1.034 179 T CA -0.877 61.312 62.100 0.149 0.000 1.010 179 T CB 1.863 70.763 68.868 0.055 0.000 1.068 179 T HN 0.557 nan 8.240 nan 0.000 0.481 180 S N -0.138 115.302 115.700 -0.433 0.000 2.533 180 S HA 0.416 4.886 4.470 0.000 0.000 0.271 180 S C 0.275 174.702 174.600 -0.288 0.000 1.143 180 S CA -0.847 56.938 58.200 -0.690 0.000 0.891 180 S CB 1.727 63.757 63.200 -1.950 0.000 1.105 180 S HN 0.823 nan 8.310 nan 0.000 0.468 181 K N 1.196 121.493 120.400 -0.172 0.000 2.098 181 K HA 0.031 4.351 4.320 0.000 0.000 0.203 181 K C 0.707 177.354 176.600 0.078 0.000 1.051 181 K CA 1.411 57.696 56.287 -0.004 0.000 0.957 181 K CB -0.051 32.438 32.500 -0.019 0.000 0.738 181 K HN 0.743 nan 8.250 nan 0.000 0.447 182 D N -1.074 119.304 120.400 -0.037 0.000 2.379 182 D HA -0.035 4.605 4.640 0.000 0.000 0.208 182 D C 0.456 176.782 176.300 0.043 0.000 1.065 182 D CA -0.359 53.655 54.000 0.024 0.000 0.848 182 D CB -0.096 40.702 40.800 -0.004 0.000 0.949 182 D HN 0.155 nan 8.370 nan 0.000 0.509 183 F N -0.513 119.207 119.950 -0.383 0.000 2.699 183 F HA -0.278 4.249 4.527 -0.000 0.000 0.343 183 F C 0.314 176.080 175.800 -0.057 0.000 0.633 183 F CA 0.526 58.287 58.000 -0.399 0.000 1.365 183 F CB -1.242 37.559 39.000 -0.332 0.000 1.795 183 F HN 0.077 nan 8.300 nan 0.000 0.304 184 L N -1.131 120.053 121.223 -0.066 0.000 2.600 184 L HA 0.173 4.513 4.340 0.000 0.000 0.213 184 L C 0.831 177.722 176.870 0.035 0.000 1.045 184 L CA 0.157 55.043 54.840 0.077 0.000 0.863 184 L CB 0.051 42.139 42.059 0.048 0.000 1.189 184 L HN -0.177 nan 8.230 nan 0.000 0.484 185 K N 0.804 121.122 120.400 -0.137 0.000 2.263 185 K HA 0.177 4.497 4.320 0.000 0.000 0.282 185 K C -1.600 174.865 176.600 -0.224 0.000 1.089 185 K CA -0.211 56.024 56.287 -0.086 0.000 0.907 185 K CB 0.574 33.033 32.500 -0.070 0.000 1.148 185 K HN -0.056 nan 8.250 nan 0.000 0.470 186 W N 2.061 123.346 121.300 -0.025 0.000 2.573 186 W HA 0.273 4.933 4.660 -0.000 0.000 0.326 186 W C 0.038 176.657 176.519 0.167 0.000 1.049 186 W CA -0.566 56.800 57.345 0.036 0.000 1.220 186 W CB 1.270 30.699 29.460 -0.051 0.000 1.373 186 W HN 0.445 nan 8.180 nan 0.000 0.507 187 E N 3.643 124.063 120.200 0.367 0.000 2.191 187 E HA 0.202 4.552 4.350 0.000 0.000 0.263 187 E C -0.647 175.972 176.600 0.031 0.000 0.881 187 E CA -0.830 55.683 56.400 0.187 0.000 0.757 187 E CB 1.110 30.848 29.700 0.063 0.000 1.147 187 E HN 0.383 nan 8.360 nan 0.000 0.414 188 K N 2.542 122.777 120.400 -0.275 0.000 2.448 188 K HA 0.110 4.430 4.320 0.000 0.000 0.278 188 K C -0.656 175.747 176.600 -0.328 0.000 1.009 188 K CA -0.019 55.801 56.287 -0.779 0.000 0.995 188 K CB 0.658 32.688 32.500 -0.783 0.000 0.917 188 K HN 0.417 nan 8.250 nan 0.000 0.481 189 S N 5.550 121.090 115.700 -0.267 0.000 2.565 189 S HA 0.107 4.577 4.470 0.000 0.000 0.276 189 S C -1.705 172.827 174.600 -0.112 0.000 1.326 189 S CA -1.386 56.746 58.200 -0.114 0.000 1.045 189 S CB 1.288 64.467 63.200 -0.035 0.000 0.918 189 S HN 0.586 nan 8.310 nan 0.000 0.505 190 P HA -0.076 nan 4.420 nan 0.000 0.215 190 P C 0.158 177.421 177.300 -0.062 0.000 1.157 190 P CA 1.257 64.317 63.100 -0.066 0.000 0.874 190 P CB 0.198 31.874 31.700 -0.041 0.000 0.790 191 E N -0.566 119.617 120.200 -0.027 0.000 2.214 191 E HA 0.301 4.651 4.350 0.000 0.000 0.274 191 E C -2.217 174.400 176.600 0.027 0.000 0.977 191 E CA -2.390 54.005 56.400 -0.008 0.000 0.827 191 E CB 0.526 30.246 29.700 0.033 0.000 1.130 191 E HN 0.124 nan 8.360 nan 0.000 0.394 192 P HA 0.088 nan 4.420 nan 0.000 0.276 192 P C 0.854 178.271 177.300 0.195 0.000 1.252 192 P CA -0.504 62.657 63.100 0.103 0.000 0.802 192 P CB 1.052 32.799 31.700 0.078 0.000 1.035 193 L N 0.191 121.546 121.223 0.220 0.000 2.046 193 L HA -0.024 4.316 4.340 0.000 0.000 0.208 193 L C 1.087 178.205 176.870 0.412 0.000 1.077 193 L CA 1.910 56.900 54.840 0.250 0.000 0.747 193 L CB -0.696 41.420 42.059 0.096 0.000 0.896 193 L HN 0.537 nan 8.230 nan 0.000 0.432 194 H N -3.159 116.106 119.070 0.326 0.000 3.003 194 H HA 0.354 4.910 4.556 0.000 0.000 0.327 194 H C -1.714 173.846 175.328 0.386 0.000 1.353 194 H CA -0.277 56.015 56.048 0.406 0.000 1.142 194 H CB 1.564 31.634 29.762 0.515 0.000 1.864 194 H HN 0.008 nan 8.280 nan 0.000 0.529 195 Y N 0.290 120.335 120.300 -0.425 0.000 2.689 195 Y HA 0.570 5.120 4.550 0.000 0.000 0.333 195 Y C -1.973 173.699 175.900 -0.380 0.000 1.190 195 Y CA -0.983 56.778 58.100 -0.566 0.000 1.063 195 Y CB 1.861 40.084 38.460 -0.396 0.000 1.294 195 Y HN 0.600 nan 8.280 nan 0.000 0.466 196 D N 0.146 120.427 120.400 -0.198 0.000 2.977 196 D HA 0.240 4.880 4.640 0.000 0.000 0.220 196 D C -2.106 174.238 176.300 0.074 0.000 1.267 196 D CA -0.421 53.571 54.000 -0.013 0.000 0.884 196 D CB 1.536 42.511 40.800 0.291 0.000 1.667 196 D HN 0.588 nan 8.370 nan 0.000 0.536 197 D N 2.420 122.878 120.400 0.097 0.000 2.317 197 D HA 0.441 5.081 4.640 0.000 0.000 0.252 197 D C 1.288 177.636 176.300 0.079 0.000 1.174 197 D CA 0.844 54.902 54.000 0.097 0.000 0.866 197 D CB 1.530 42.392 40.800 0.104 0.000 1.127 197 D HN 0.753 nan 8.370 nan 0.000 0.467 198 G N 2.037 110.882 108.800 0.075 0.000 2.176 198 G HA2 -0.351 3.609 3.960 0.000 0.000 0.232 198 G HA3 -0.351 3.609 3.960 0.000 0.000 0.232 198 G C 1.200 176.154 174.900 0.091 0.000 0.986 198 G CA 0.601 45.744 45.100 0.072 0.000 0.643 198 G HN 0.524 nan 8.290 nan 0.000 0.522 199 S N 0.138 115.917 115.700 0.132 0.000 2.436 199 S HA 0.450 4.920 4.470 0.000 0.000 0.228 199 S C 2.074 176.791 174.600 0.195 0.000 1.014 199 S CA 1.377 59.691 58.200 0.190 0.000 0.950 199 S CB 0.030 63.468 63.200 0.397 0.000 0.784 199 S HN 2.562 nan 8.310 nan 0.000 0.504 200 G N 1.437 110.330 108.800 0.155 0.000 2.681 200 G HA2 -0.186 3.774 3.960 0.000 0.000 0.220 200 G HA3 -0.186 3.774 3.960 0.000 0.000 0.220 200 G C -0.336 174.686 174.900 0.205 0.000 1.353 200 G CA -0.261 44.926 45.100 0.145 0.000 0.872 200 G HN 0.781 nan 8.290 nan 0.000 0.557 201 M N -0.377 119.343 119.600 0.199 0.000 2.251 201 M HA 0.446 4.926 4.480 0.000 0.000 0.343 201 M C -0.487 176.086 176.300 0.454 0.000 1.245 201 M CA -0.361 55.085 55.300 0.244 0.000 1.061 201 M CB -0.082 32.640 32.600 0.203 0.000 1.723 201 M HN 0.481 nan 8.290 nan 0.000 0.449 202 W N 6.098 127.478 121.300 0.134 0.000 2.316 202 W HA 0.387 5.047 4.660 0.000 0.000 0.339 202 W C -0.171 176.434 176.519 0.143 0.000 1.002 202 W CA -0.692 56.737 57.345 0.140 0.000 1.465 202 W CB -0.268 29.276 29.460 0.139 0.000 1.300 202 W HN 0.632 nan 8.180 nan 0.000 0.378 203 E N 1.001 121.389 120.200 0.314 0.000 2.319 203 E HA 0.246 4.596 4.350 0.000 0.000 0.268 203 E C 0.297 176.984 176.600 0.145 0.000 1.050 203 E CA -0.459 56.078 56.400 0.229 0.000 0.878 203 E CB 1.226 31.070 29.700 0.241 0.000 1.066 203 E HN 0.320 nan 8.360 nan 0.000 0.406 204 C N 2.162 121.544 119.300 0.136 0.000 3.349 204 C HA -0.096 4.364 4.460 0.000 0.000 0.275 204 C C -1.928 173.132 174.990 0.117 0.000 1.322 204 C CA -0.802 58.279 59.018 0.105 0.000 2.261 204 C CB -2.625 25.138 27.740 0.037 0.000 1.446 204 C HN 0.528 nan 8.230 nan 0.000 0.533 205 P HA 0.418 nan 4.420 nan 0.000 0.272 205 P C -0.253 177.173 177.300 0.209 0.000 1.223 205 P CA 0.709 63.912 63.100 0.172 0.000 0.784 205 P CB 0.916 32.758 31.700 0.238 0.000 0.923 206 D N 0.794 121.324 120.400 0.218 0.000 2.857 206 D HA 0.551 5.191 4.640 0.000 0.000 0.227 206 D C -2.016 174.454 176.300 0.283 0.000 1.192 206 D CA -0.430 53.761 54.000 0.318 0.000 0.857 206 D CB 1.212 42.254 40.800 0.403 0.000 1.645 206 D HN 0.118 nan 8.370 nan 0.000 0.482 207 F N 4.789 124.790 119.950 0.085 0.000 2.671 207 F HA 0.563 5.090 4.527 0.000 0.000 0.332 207 F C -1.795 173.887 175.800 -0.197 0.000 1.189 207 F CA -0.699 57.135 58.000 -0.277 0.000 0.988 207 F CB 0.629 39.355 39.000 -0.456 0.000 1.258 207 F HN 0.261 nan 8.300 nan 0.000 0.471 208 F N 4.767 124.285 119.950 -0.720 0.000 2.662 208 F HA 0.916 5.443 4.527 -0.000 0.000 0.312 208 F C -3.224 172.103 175.800 -0.789 0.000 1.113 208 F CA -2.707 54.944 58.000 -0.581 0.000 0.951 208 F CB 1.263 40.101 39.000 -0.270 0.000 1.344 208 F HN 0.102 nan 8.300 nan 0.000 0.462 209 P HA 0.528 nan 4.420 nan 0.000 0.287 209 P C -1.305 175.857 177.300 -0.230 0.000 1.270 209 P CA -0.613 62.021 63.100 -0.777 0.000 0.844 209 P CB 2.280 33.540 31.700 -0.733 0.000 1.068 210 V N -2.051 117.740 119.914 -0.205 0.000 2.789 210 V HA 0.606 4.726 4.120 0.000 0.000 0.311 210 V C -0.072 176.011 176.094 -0.018 0.000 1.073 210 V CA -0.720 61.565 62.300 -0.026 0.000 0.921 210 V CB 1.382 33.224 31.823 0.033 0.000 1.009 210 V HN 0.555 nan 8.190 nan 0.000 0.426 211 T N 2.015 116.590 114.554 0.035 0.000 2.884 211 T HA 0.278 4.628 4.350 0.000 0.000 0.298 211 T C 1.032 175.786 174.700 0.090 0.000 0.998 211 T CA 0.157 62.291 62.100 0.058 0.000 1.124 211 T CB 0.921 69.831 68.868 0.070 0.000 0.931 211 T HN 0.964 nan 8.240 nan 0.000 0.531 212 R N 3.574 124.139 120.500 0.108 0.000 2.091 212 R HA 0.080 4.420 4.340 0.000 0.000 0.238 212 R C -0.143 176.271 176.300 0.190 0.000 1.136 212 R CA 1.524 57.706 56.100 0.136 0.000 0.959 212 R CB -0.317 30.070 30.300 0.145 0.000 0.856 212 R HN 0.558 nan 8.270 nan 0.000 0.437 213 F N -0.860 119.126 119.950 0.060 0.000 2.561 213 F HA 0.570 5.097 4.527 0.000 0.000 0.313 213 F C -0.230 175.588 175.800 0.030 0.000 1.126 213 F CA 0.221 58.256 58.000 0.058 0.000 0.918 213 F CB 2.092 41.120 39.000 0.046 0.000 1.199 213 F HN 0.361 nan 8.300 nan 0.000 0.444 214 G N 2.249 111.206 108.800 0.262 0.000 2.357 214 G HA2 0.267 4.227 3.960 0.000 0.000 0.643 214 G HA3 0.267 4.227 3.960 0.000 0.000 0.643 214 G C -0.393 174.444 174.900 -0.105 0.000 1.358 214 G CA -0.216 44.944 45.100 0.101 0.000 0.986 214 G HN 1.288 nan 8.290 nan 0.000 0.620 215 S N -0.779 114.736 115.700 -0.308 0.000 2.559 215 S HA 0.250 4.720 4.470 0.000 0.000 0.226 215 S C 0.553 174.960 174.600 -0.322 0.000 1.000 215 S CA 0.154 57.940 58.200 -0.689 0.000 0.948 215 S CB 0.156 62.541 63.200 -1.359 0.000 0.870 215 S HN 0.621 nan 8.310 nan 0.000 0.497 216 N N 2.645 121.257 118.700 -0.146 0.000 2.508 216 N HA 0.454 5.194 4.740 0.000 0.000 0.264 216 N C 0.375 175.916 175.510 0.051 0.000 1.216 216 N CA 0.467 53.489 53.050 -0.046 0.000 0.943 216 N CB 0.531 39.014 38.487 -0.008 0.000 1.113 216 N HN 0.453 nan 8.380 nan 0.000 0.447 217 G N -0.431 108.433 108.800 0.106 0.000 2.539 217 G HA2 0.430 4.390 3.960 0.000 0.000 0.258 217 G HA3 0.430 4.390 3.960 0.000 0.000 0.258 217 G C -0.559 174.505 174.900 0.273 0.000 1.202 217 G CA -0.363 44.858 45.100 0.202 0.000 0.851 217 G HN 0.327 nan 8.290 nan 0.000 0.556 218 V N 1.218 121.188 119.914 0.094 0.000 2.495 218 V HA 0.283 4.403 4.120 0.000 0.000 0.298 218 V C 0.244 175.986 176.094 -0.586 0.000 1.031 218 V CA -1.083 61.130 62.300 -0.144 0.000 0.871 218 V CB 1.706 33.462 31.823 -0.112 0.000 0.988 218 V HN 0.777 nan 8.190 nan 0.000 0.432 219 E N 2.074 121.677 120.200 -0.994 0.000 2.452 219 E HA 0.002 4.352 4.350 0.000 0.000 0.261 219 E C 1.070 177.398 176.600 -0.453 0.000 0.987 219 E CA 0.335 56.042 56.400 -1.155 0.000 0.926 219 E CB 1.363 30.642 29.700 -0.700 0.000 0.934 219 E HN 0.808 nan 8.360 nan 0.000 0.452 220 T N 2.447 116.853 114.554 -0.248 0.000 2.737 220 T HA -0.127 4.223 4.350 0.000 0.000 0.269 220 T C 1.359 176.055 174.700 -0.006 0.000 1.040 220 T CA 1.649 63.727 62.100 -0.036 0.000 1.142 220 T CB 0.064 69.047 68.868 0.190 0.000 0.861 220 T HN 0.279 nan 8.240 nan 0.000 0.456 221 S N 0.779 116.487 115.700 0.015 0.000 2.577 221 S HA 0.252 4.722 4.470 0.000 0.000 0.219 221 S C 0.740 175.168 174.600 -0.287 0.000 0.962 221 S CA -0.366 57.816 58.200 -0.032 0.000 0.921 221 S CB 0.157 63.382 63.200 0.042 0.000 0.789 221 S HN 0.352 nan 8.310 nan 0.000 0.497 222 S N 1.360 116.921 115.700 -0.232 0.000 2.545 222 S HA 0.539 5.009 4.470 0.000 0.000 0.275 222 S C -0.220 174.252 174.600 -0.214 0.000 1.299 222 S CA -0.548 57.546 58.200 -0.178 0.000 1.048 222 S CB 0.024 63.159 63.200 -0.109 0.000 0.938 222 S HN 0.209 nan 8.310 nan 0.000 0.496 223 F N 1.879 121.875 119.950 0.077 0.000 2.368 223 F HA 0.524 5.051 4.527 -0.000 0.000 0.315 223 F C 1.402 177.246 175.800 0.072 0.000 1.145 223 F CA -0.483 57.576 58.000 0.097 0.000 1.095 223 F CB 0.533 39.583 39.000 0.083 0.000 1.286 223 F HN 0.619 nan 8.300 nan 0.000 0.530 224 G N 0.723 109.700 108.800 0.295 0.000 2.404 224 G HA2 0.446 4.406 3.960 0.000 0.000 0.316 224 G HA3 0.446 4.406 3.960 0.000 0.000 0.316 224 G C -0.766 174.225 174.900 0.152 0.000 1.074 224 G CA -0.485 44.723 45.100 0.179 0.000 0.989 224 G HN 0.555 nan 8.290 nan 0.000 0.430 225 E N 3.050 123.321 120.200 0.119 0.000 2.410 225 E HA 0.130 4.480 4.350 0.000 0.000 0.255 225 E C -1.494 175.145 176.600 0.064 0.000 1.194 225 E CA -1.091 55.358 56.400 0.082 0.000 0.955 225 E CB 0.785 30.526 29.700 0.067 0.000 0.988 225 E HN 0.211 nan 8.360 nan 0.000 0.461 226 P HA -0.102 nan 4.420 nan 0.000 0.236 226 P C -0.083 177.238 177.300 0.036 0.000 1.172 226 P CA 0.914 64.036 63.100 0.037 0.000 0.759 226 P CB 0.059 31.773 31.700 0.024 0.000 0.843 227 N N -2.060 116.664 118.700 0.040 0.000 2.564 227 N HA 0.015 4.755 4.740 0.000 0.000 0.202 227 N C 0.469 176.006 175.510 0.045 0.000 1.052 227 N CA 0.285 53.357 53.050 0.036 0.000 0.872 227 N CB -0.051 38.454 38.487 0.029 0.000 1.303 227 N HN -0.033 nan 8.380 nan 0.000 0.440 228 E N 1.394 121.627 120.200 0.056 0.000 2.194 228 E HA 0.314 4.664 4.350 0.000 0.000 0.284 228 E C -0.550 176.095 176.600 0.075 0.000 1.035 228 E CA -0.333 56.105 56.400 0.064 0.000 0.836 228 E CB 1.413 31.153 29.700 0.068 0.000 1.070 228 E HN 0.289 nan 8.360 nan 0.000 0.401 229 I N 5.648 126.265 120.570 0.078 0.000 2.321 229 I HA 0.239 4.409 4.170 0.000 0.000 0.291 229 I C -0.100 176.067 176.117 0.083 0.000 0.998 229 I CA -0.463 60.888 61.300 0.085 0.000 1.227 229 I CB 0.741 38.794 38.000 0.089 0.000 1.368 229 I HN 0.214 nan 8.210 nan 0.000 0.466 230 L N 6.939 128.212 121.223 0.083 0.000 2.346 230 L HA 0.544 4.884 4.340 0.000 0.000 0.276 230 L C -0.278 176.633 176.870 0.069 0.000 1.006 230 L CA -1.024 53.845 54.840 0.049 0.000 0.817 230 L CB 1.614 43.686 42.059 0.022 0.000 1.272 230 L HN 0.441 nan 8.230 nan 0.000 0.421 231 K N 0.852 121.265 120.400 0.021 0.000 2.139 231 K HA 0.552 4.872 4.320 0.000 0.000 0.243 231 K C -0.988 175.553 176.600 -0.098 0.000 0.983 231 K CA -0.890 55.423 56.287 0.044 0.000 0.890 231 K CB 1.739 34.264 32.500 0.042 0.000 1.090 231 K HN 0.432 nan 8.250 nan 0.000 0.445 232 H N -0.807 118.219 119.070 -0.073 0.000 2.495 232 H HA 0.399 4.955 4.556 0.000 0.000 0.348 232 H C -0.836 174.242 175.328 -0.416 0.000 1.113 232 H CA -0.549 55.290 56.048 -0.349 0.000 1.195 232 H CB 1.609 31.143 29.762 -0.379 0.000 1.521 232 H HN 0.058 nan 8.280 nan 0.000 0.509 233 V N 4.286 123.722 119.914 -0.796 0.000 2.398 233 V HA 0.169 4.289 4.120 0.000 0.000 0.286 233 V C -0.653 174.855 176.094 -0.977 0.000 1.026 233 V CA -0.728 61.074 62.300 -0.830 0.000 0.868 233 V CB 1.434 32.633 31.823 -1.041 0.000 0.982 233 V HN 0.446 nan 8.190 nan 0.000 0.443 234 L N 6.480 127.258 121.223 -0.742 0.000 2.287 234 L HA 0.566 4.906 4.340 0.000 0.000 0.287 234 L C -0.240 176.477 176.870 -0.255 0.000 1.022 234 L CA 0.185 54.727 54.840 -0.496 0.000 0.814 234 L CB 0.955 42.603 42.059 -0.686 0.000 1.217 234 L HN 0.582 nan 8.230 nan 0.000 0.420 235 K N 6.965 127.290 120.400 -0.125 0.000 2.259 235 K HA 0.615 4.935 4.320 0.000 0.000 0.252 235 K C -1.335 175.213 176.600 -0.086 0.000 0.936 235 K CA -0.622 55.632 56.287 -0.054 0.000 0.810 235 K CB 1.551 34.121 32.500 0.117 0.000 1.143 235 K HN 0.787 nan 8.250 nan 0.000 0.427 236 I N -0.772 119.701 120.570 -0.162 0.000 2.769 236 I HA 0.397 4.567 4.170 0.000 0.000 0.298 236 I C -0.759 175.306 176.117 -0.087 0.000 1.128 236 I CA -0.797 60.383 61.300 -0.201 0.000 1.031 236 I CB 2.368 39.979 38.000 -0.648 0.000 1.235 236 I HN 0.268 nan 8.210 nan 0.000 0.423 237 S N 5.588 121.246 115.700 -0.071 0.000 2.442 237 S HA 0.594 5.064 4.470 0.000 0.000 0.297 237 S C -0.298 174.382 174.600 0.133 0.000 1.131 237 S CA -0.623 57.495 58.200 -0.135 0.000 1.092 237 S CB 1.024 63.873 63.200 -0.585 0.000 0.998 237 S HN 0.403 nan 8.310 nan 0.000 0.478 238 L N 3.154 124.568 121.223 0.318 0.000 2.264 238 L HA 0.305 4.645 4.340 0.000 0.000 0.289 238 L C 0.820 177.918 176.870 0.380 0.000 1.044 238 L CA -0.681 54.364 54.840 0.342 0.000 0.807 238 L CB 0.958 43.187 42.059 0.283 0.000 1.192 238 L HN 0.537 nan 8.230 nan 0.000 0.425 239 D N 1.241 121.822 120.400 0.302 0.000 2.149 239 D HA -0.242 4.398 4.640 0.000 0.000 0.194 239 D C 1.510 177.866 176.300 0.093 0.000 1.001 239 D CA 1.546 55.654 54.000 0.180 0.000 0.849 239 D CB 0.204 41.093 40.800 0.149 0.000 0.939 239 D HN 0.639 nan 8.370 nan 0.000 0.449 240 D N -1.095 119.375 120.400 0.116 0.000 2.117 240 D HA -0.103 4.537 4.640 0.000 0.000 0.197 240 D C 1.791 178.110 176.300 0.032 0.000 0.987 240 D CA 2.126 56.169 54.000 0.072 0.000 0.829 240 D CB -0.050 40.803 40.800 0.089 0.000 0.961 240 D HN 0.332 nan 8.370 nan 0.000 0.460 241 T N -3.902 110.678 114.554 0.043 0.000 3.003 241 T HA 0.180 4.530 4.350 0.000 0.000 0.261 241 T C 0.478 174.930 174.700 -0.414 0.000 1.003 241 T CA -0.268 61.791 62.100 -0.070 0.000 0.917 241 T CB 0.275 69.233 68.868 0.149 0.000 1.084 241 T HN -0.031 nan 8.240 nan 0.000 0.522 242 K N 0.895 121.168 120.400 -0.211 0.000 3.129 242 K HA -0.168 4.152 4.320 0.000 0.000 0.273 242 K C -0.719 175.784 176.600 -0.162 0.000 1.123 242 K CA 0.907 56.991 56.287 -0.339 0.000 0.800 242 K CB -2.930 29.304 32.500 -0.443 0.000 1.238 242 K HN 0.809 nan 8.250 nan 0.000 0.492 243 H N -0.640 118.621 119.070 0.319 0.000 2.834 243 H HA 0.476 5.032 4.556 0.000 0.000 0.369 243 H C -0.533 174.767 175.328 -0.046 0.000 1.174 243 H CA -1.211 54.876 56.048 0.065 0.000 1.165 243 H CB 1.497 31.089 29.762 -0.284 0.000 1.820 243 H HN -0.148 nan 8.280 nan 0.000 0.558 244 D N 0.918 121.240 120.400 -0.129 0.000 2.193 244 D HA 0.206 4.846 4.640 0.000 0.000 0.244 244 D C -0.950 175.046 176.300 -0.506 0.000 1.064 244 D CA -0.095 53.788 54.000 -0.194 0.000 0.845 244 D CB 0.919 41.727 40.800 0.013 0.000 1.148 244 D HN 0.313 nan 8.370 nan 0.000 0.464 245 Y N 1.175 121.374 120.300 -0.169 0.000 2.485 245 Y HA 0.462 5.012 4.550 -0.000 0.000 0.345 245 Y C -0.236 175.510 175.900 -0.257 0.000 0.998 245 Y CA -1.250 56.709 58.100 -0.235 0.000 1.059 245 Y CB 1.462 39.815 38.460 -0.178 0.000 1.234 245 Y HN 0.306 nan 8.280 nan 0.000 0.461 246 Y N -1.101 119.073 120.300 -0.211 0.000 2.553 246 Y HA 0.890 5.440 4.550 0.000 0.000 0.347 246 Y C -0.972 174.822 175.900 -0.177 0.000 1.019 246 Y CA -1.330 56.612 58.100 -0.264 0.000 1.032 246 Y CB 1.721 39.935 38.460 -0.411 0.000 1.284 246 Y HN 0.581 nan 8.280 nan 0.000 0.466 247 T N 0.859 115.362 114.554 -0.085 0.000 2.909 247 T HA 0.720 5.070 4.350 0.000 0.000 0.299 247 T C -1.000 173.547 174.700 -0.255 0.000 1.073 247 T CA -0.732 61.169 62.100 -0.332 0.000 0.999 247 T CB 1.554 70.342 68.868 -0.132 0.000 1.098 247 T HN 0.749 nan 8.240 nan 0.000 0.477 248 I N 1.884 122.022 120.570 -0.721 0.000 2.336 248 I HA 0.692 4.862 4.170 0.000 0.000 0.292 248 I C 0.867 176.899 176.117 -0.142 0.000 0.991 248 I CA -0.315 60.808 61.300 -0.295 0.000 1.227 248 I CB 1.318 39.175 38.000 -0.238 0.000 1.366 248 I HN 1.053 nan 8.210 nan 0.000 0.466 249 G N 3.474 112.370 108.800 0.159 0.000 2.815 249 G HA2 0.680 4.641 3.960 0.000 0.000 0.305 249 G HA3 0.680 4.641 3.960 0.000 0.000 0.305 249 G C -1.142 173.836 174.900 0.130 0.000 1.277 249 G CA -0.403 44.667 45.100 -0.050 0.000 0.795 249 G HN 0.491 nan 8.290 nan 0.000 0.528 250 T N -2.622 111.924 114.554 -0.013 0.000 2.863 250 T HA 0.531 4.881 4.350 0.000 0.000 0.285 250 T C -1.444 173.405 174.700 0.248 0.000 1.009 250 T CA -0.573 61.623 62.100 0.160 0.000 0.989 250 T CB 2.052 70.971 68.868 0.086 0.000 1.004 250 T HN 0.694 nan 8.240 nan 0.000 0.455 251 Y N 2.887 123.269 120.300 0.136 0.000 2.594 251 Y HA 0.320 4.870 4.550 -0.000 0.000 0.342 251 Y C 0.021 175.975 175.900 0.089 0.000 1.010 251 Y CA -1.896 56.265 58.100 0.101 0.000 1.270 251 Y CB -0.011 38.242 38.460 -0.345 0.000 1.125 251 Y HN 0.787 nan 8.280 nan 0.000 0.513 252 D N 5.951 126.384 120.400 0.055 0.000 2.357 252 D HA 0.017 4.657 4.640 0.000 0.000 0.265 252 D C 0.815 176.968 176.300 -0.244 0.000 1.334 252 D CA 0.261 54.223 54.000 -0.063 0.000 0.984 252 D CB 0.579 41.396 40.800 0.028 0.000 1.077 252 D HN 0.710 nan 8.370 nan 0.000 0.514 253 R N 2.496 122.770 120.500 -0.376 0.000 2.189 253 R HA -0.028 4.312 4.340 0.000 0.000 0.218 253 R C 1.811 178.038 176.300 -0.122 0.000 1.074 253 R CA 0.398 56.253 56.100 -0.409 0.000 0.991 253 R CB 0.122 30.253 30.300 -0.283 0.000 0.883 253 R HN 0.330 nan 8.270 nan 0.000 0.457 254 V N 1.385 121.261 119.914 -0.064 0.000 2.379 254 V HA -0.183 3.937 4.120 0.000 0.000 0.245 254 V C 1.982 178.084 176.094 0.012 0.000 1.044 254 V CA 1.664 63.957 62.300 -0.011 0.000 1.036 254 V CB -0.268 31.554 31.823 -0.003 0.000 0.664 254 V HN 0.251 nan 8.190 nan 0.000 0.453 255 K N -0.889 119.524 120.400 0.021 0.000 2.361 255 K HA 0.010 4.330 4.320 0.000 0.000 0.196 255 K C 0.626 177.282 176.600 0.093 0.000 1.039 255 K CA 0.586 56.907 56.287 0.057 0.000 1.001 255 K CB 0.069 32.610 32.500 0.069 0.000 0.795 255 K HN 0.347 nan 8.250 nan 0.000 0.495 256 D N 1.295 121.749 120.400 0.090 0.000 2.746 256 D HA -0.147 4.493 4.640 0.000 0.000 0.236 256 D C -1.093 175.401 176.300 0.323 0.000 1.129 256 D CA 1.114 55.244 54.000 0.216 0.000 0.691 256 D CB -0.767 40.163 40.800 0.216 0.000 1.077 256 D HN 0.185 nan 8.370 nan 0.000 0.432 257 K N -0.244 120.333 120.400 0.294 0.000 2.340 257 K HA 0.563 4.883 4.320 0.000 0.000 0.244 257 K C -0.446 176.408 176.600 0.423 0.000 0.973 257 K CA -1.003 55.482 56.287 0.330 0.000 0.828 257 K CB 1.447 34.095 32.500 0.246 0.000 1.226 257 K HN 0.022 nan 8.250 nan 0.000 0.437 258 F N 1.621 121.707 119.950 0.226 0.000 2.420 258 F HA 0.389 4.916 4.527 0.000 0.000 0.342 258 F C -0.903 174.918 175.800 0.035 0.000 1.113 258 F CA -0.783 57.315 58.000 0.163 0.000 1.059 258 F CB 1.125 40.184 39.000 0.098 0.000 1.128 258 F HN 0.078 nan 8.300 nan 0.000 0.475 259 V N 7.682 127.137 119.914 -0.765 0.000 2.349 259 V HA 0.342 4.462 4.120 0.000 0.000 0.284 259 V C -2.305 173.227 176.094 -0.937 0.000 1.014 259 V CA -1.972 59.949 62.300 -0.632 0.000 0.826 259 V CB 0.992 32.675 31.823 -0.232 0.000 1.009 259 V HN 0.643 nan 8.190 nan 0.000 0.431 260 P HA 0.120 nan 4.420 nan 0.000 0.267 260 P C -0.390 176.842 177.300 -0.113 0.000 1.200 260 P CA -0.088 62.741 63.100 -0.451 0.000 0.772 260 P CB 0.499 32.108 31.700 -0.151 0.000 0.855 261 D N 1.128 121.576 120.400 0.081 0.000 2.423 261 D HA -0.037 4.603 4.640 0.000 0.000 0.238 261 D C 0.753 177.185 176.300 0.220 0.000 1.142 261 D CA 0.237 54.357 54.000 0.199 0.000 0.884 261 D CB -0.017 40.977 40.800 0.324 0.000 1.199 261 D HN 0.331 nan 8.370 nan 0.000 0.438 262 N N 0.688 119.446 118.700 0.097 0.000 2.294 262 N HA -0.050 4.690 4.740 0.000 0.000 0.263 262 N C 1.074 176.565 175.510 -0.031 0.000 1.281 262 N CA 1.220 54.291 53.050 0.036 0.000 0.846 262 N CB 0.378 38.875 38.487 0.016 0.000 1.061 262 N HN 0.631 nan 8.380 nan 0.000 0.478 263 G N 3.468 112.231 108.800 -0.062 0.000 2.349 263 G HA2 -0.249 3.711 3.960 0.000 0.000 0.213 263 G HA3 -0.249 3.711 3.960 0.000 0.000 0.213 263 G C 0.002 174.783 174.900 -0.198 0.000 1.044 263 G CA -0.408 44.582 45.100 -0.184 0.000 0.633 263 G HN 0.547 nan 8.290 nan 0.000 0.506 264 F N 2.025 121.976 119.950 0.002 0.000 2.443 264 F HA 0.626 5.153 4.527 0.000 0.000 0.353 264 F C 0.744 176.553 175.800 0.014 0.000 1.101 264 F CA 0.298 58.301 58.000 0.004 0.000 1.226 264 F CB 1.401 40.404 39.000 0.006 0.000 1.140 264 F HN 0.085 nan 8.300 nan 0.000 0.557 265 K N 3.427 123.967 120.400 0.234 0.000 2.482 265 K HA 0.394 4.714 4.320 0.000 0.000 0.251 265 K C -0.961 175.741 176.600 0.170 0.000 0.936 265 K CA -1.061 55.331 56.287 0.176 0.000 0.791 265 K CB 1.516 34.082 32.500 0.109 0.000 1.213 265 K HN 0.565 nan 8.250 nan 0.000 0.428 266 M N 5.336 125.073 119.600 0.228 0.000 3.254 266 M HA 0.107 4.587 4.480 0.000 0.000 0.257 266 M C -1.244 175.115 176.300 0.099 0.000 1.490 266 M CA 0.383 55.782 55.300 0.165 0.000 1.620 266 M CB -0.895 31.895 32.600 0.317 0.000 1.157 266 M HN 0.659 nan 8.290 nan 0.000 0.541 267 D N -0.068 120.314 120.400 -0.031 0.000 3.103 267 D HA 0.354 4.994 4.640 0.000 0.000 0.337 267 D C 0.896 176.931 176.300 -0.442 0.000 1.356 267 D CA -0.108 53.810 54.000 -0.136 0.000 0.951 267 D CB -0.324 40.476 40.800 0.000 0.000 1.438 267 D HN 0.138 nan 8.370 nan 0.000 0.562 268 G N -0.888 107.644 108.800 -0.446 0.000 2.499 268 G HA2 -0.207 3.753 3.960 0.000 0.000 0.221 268 G HA3 -0.207 3.753 3.960 0.000 0.000 0.221 268 G C 1.266 176.078 174.900 -0.146 0.000 1.109 268 G CA 2.003 46.788 45.100 -0.525 0.000 0.749 268 G HN 0.731 nan 8.290 nan 0.000 0.568 269 T N -1.726 112.795 114.554 -0.055 0.000 3.088 269 T HA 0.538 4.888 4.350 0.000 0.000 0.259 269 T C 1.334 176.091 174.700 0.095 0.000 1.122 269 T CA 0.576 62.708 62.100 0.052 0.000 1.095 269 T CB 0.035 68.928 68.868 0.042 0.000 0.930 269 T HN 0.396 nan 8.240 nan 0.000 0.508 270 A N 3.255 126.126 122.820 0.085 0.000 2.386 270 A HA 0.553 4.873 4.320 0.000 0.000 0.246 270 A C -1.854 175.808 177.584 0.130 0.000 1.089 270 A CA -1.421 50.691 52.037 0.125 0.000 0.790 270 A CB -0.122 18.919 19.000 0.068 0.000 1.042 270 A HN 0.351 nan 8.150 nan 0.000 0.497 271 P HA 0.302 nan 4.420 nan 0.000 0.273 271 P C -0.723 176.316 177.300 -0.435 0.000 1.250 271 P CA -0.061 62.932 63.100 -0.179 0.000 0.793 271 P CB 0.570 32.081 31.700 -0.316 0.000 1.011 272 R N -0.605 119.610 120.500 -0.476 0.000 2.854 272 R HA 0.346 4.686 4.340 0.000 0.000 0.271 272 R C 1.006 177.163 176.300 -0.238 0.000 0.996 272 R CA -0.610 55.117 56.100 -0.621 0.000 0.961 272 R CB 0.557 30.185 30.300 -1.120 0.000 1.182 272 R HN 0.352 nan 8.270 nan 0.000 0.479 273 Y N 0.025 120.279 120.300 -0.076 0.000 2.145 273 Y HA -0.098 4.452 4.550 -0.000 0.000 0.286 273 Y C 0.857 176.521 175.900 -0.393 0.000 1.145 273 Y CA 1.213 59.218 58.100 -0.160 0.000 1.148 273 Y CB 0.179 38.509 38.460 -0.217 0.000 0.981 273 Y HN 0.433 nan 8.280 nan 0.000 0.507 274 D N -2.144 117.989 120.400 -0.445 0.000 2.896 274 D HA 0.125 4.765 4.640 0.000 0.000 0.241 274 D C -1.159 174.798 176.300 -0.571 0.000 1.188 274 D CA -0.616 53.073 54.000 -0.518 0.000 0.879 274 D CB 1.078 41.382 40.800 -0.827 0.000 1.553 274 D HN 0.040 nan 8.370 nan 0.000 0.515 275 Y N 1.237 121.339 120.300 -0.331 0.000 2.571 275 Y HA 0.319 4.869 4.550 0.000 0.000 0.275 275 Y C 1.365 176.960 175.900 -0.508 0.000 1.179 275 Y CA -0.238 57.645 58.100 -0.362 0.000 1.242 275 Y CB 1.291 39.599 38.460 -0.255 0.000 1.126 275 Y HN 0.413 nan 8.280 nan 0.000 0.524 276 G N -0.148 108.318 108.800 -0.556 0.000 3.414 276 G HA2 0.238 4.198 3.960 0.000 0.000 0.189 276 G HA3 0.238 4.198 3.960 0.000 0.000 0.189 276 G C -0.953 173.434 174.900 -0.856 0.000 1.329 276 G CA -0.639 43.735 45.100 -1.209 0.000 0.851 276 G HN -0.081 nan 8.290 nan 0.000 0.671 277 K N -0.098 119.958 120.400 -0.573 0.000 2.268 277 K HA 0.569 4.889 4.320 0.000 0.000 0.276 277 K C -2.071 174.489 176.600 -0.066 0.000 1.080 277 K CA -0.515 55.629 56.287 -0.240 0.000 0.910 277 K CB 0.050 32.461 32.500 -0.148 0.000 1.163 277 K HN 0.406 nan 8.250 nan 0.000 0.465 278 Y N 3.878 124.065 120.300 -0.189 0.000 2.314 278 Y HA 0.323 4.873 4.550 0.000 0.000 0.317 278 Y C -2.217 173.704 175.900 0.035 0.000 1.234 278 Y CA -0.816 57.223 58.100 -0.101 0.000 1.111 278 Y CB 0.835 39.234 38.460 -0.101 0.000 1.283 278 Y HN 0.621 nan 8.280 nan 0.000 0.418 279 Y N 3.682 123.787 120.300 -0.325 0.000 2.609 279 Y HA 0.581 5.131 4.550 -0.000 0.000 0.336 279 Y C 0.145 176.085 175.900 0.067 0.000 1.129 279 Y CA -0.358 57.685 58.100 -0.096 0.000 1.040 279 Y CB 2.183 40.558 38.460 -0.142 0.000 1.310 279 Y HN 0.965 nan 8.280 nan 0.000 0.460 280 A N 1.722 124.334 122.820 -0.346 0.000 2.872 280 A HA -0.158 4.162 4.320 0.000 0.000 0.273 280 A C 0.189 177.773 177.584 -0.001 0.000 1.442 280 A CA 0.926 52.914 52.037 -0.081 0.000 0.801 280 A CB -2.512 16.664 19.000 0.293 0.000 1.031 280 A HN 1.448 nan 8.150 nan 0.000 0.582 281 S N -0.828 114.859 115.700 -0.021 0.000 2.585 281 S HA 0.636 5.106 4.470 0.000 0.000 0.273 281 S C -0.175 174.519 174.600 0.156 0.000 1.339 281 S CA 0.391 58.630 58.200 0.065 0.000 1.028 281 S CB 1.757 65.074 63.200 0.194 0.000 0.906 281 S HN 1.000 nan 8.310 nan 0.000 0.528 282 K N 0.679 121.184 120.400 0.176 0.000 2.550 282 K HA 0.381 4.701 4.320 0.000 0.000 0.252 282 K C -1.025 175.709 176.600 0.223 0.000 0.943 282 K CA -0.429 55.978 56.287 0.200 0.000 0.806 282 K CB 1.888 34.490 32.500 0.170 0.000 1.289 282 K HN 0.945 nan 8.250 nan 0.000 0.435 283 T N 0.242 114.882 114.554 0.143 0.000 2.943 283 T HA 0.741 5.091 4.350 0.000 0.000 0.284 283 T C -0.228 174.623 174.700 0.253 0.000 1.015 283 T CA -0.695 61.434 62.100 0.049 0.000 1.042 283 T CB 0.633 69.255 68.868 -0.410 0.000 1.055 283 T HN 0.447 nan 8.240 nan 0.000 0.500 284 F N -0.398 119.598 119.950 0.076 0.000 2.643 284 F HA 0.787 5.314 4.527 0.000 0.000 0.314 284 F C -1.518 174.398 175.800 0.194 0.000 1.096 284 F CA -2.120 55.986 58.000 0.177 0.000 0.953 284 F CB 1.342 40.502 39.000 0.267 0.000 1.345 284 F HN 0.566 nan 8.300 nan 0.000 0.468 285 F N 2.920 122.895 119.950 0.041 0.000 2.390 285 F HA 0.303 4.830 4.527 -0.000 0.000 0.361 285 F C 0.056 175.851 175.800 -0.008 0.000 1.124 285 F CA -0.924 57.037 58.000 -0.065 0.000 1.149 285 F CB 0.190 39.239 39.000 0.082 0.000 1.160 285 F HN 0.578 nan 8.300 nan 0.000 0.501 286 D N 3.805 123.823 120.400 -0.637 0.000 2.402 286 D HA 0.029 4.669 4.640 0.000 0.000 0.235 286 D C 1.063 176.939 176.300 -0.706 0.000 1.226 286 D CA 0.253 54.027 54.000 -0.376 0.000 0.918 286 D CB 0.747 41.392 40.800 -0.259 0.000 1.043 286 D HN 0.569 nan 8.370 nan 0.000 0.506 287 S N 2.545 117.901 115.700 -0.574 0.000 2.481 287 S HA -0.059 4.411 4.470 0.000 0.000 0.231 287 S C 1.959 176.437 174.600 -0.203 0.000 0.996 287 S CA 0.454 58.354 58.200 -0.499 0.000 0.942 287 S CB 0.033 63.193 63.200 -0.067 0.000 0.768 287 S HN 0.402 nan 8.310 nan 0.000 0.520 288 A N 2.413 125.161 122.820 -0.121 0.000 1.858 288 A HA 0.045 4.365 4.320 0.000 0.000 0.216 288 A C 2.083 179.629 177.584 -0.064 0.000 1.190 288 A CA 1.377 53.374 52.037 -0.067 0.000 0.617 288 A CB -0.341 18.632 19.000 -0.045 0.000 0.827 288 A HN 0.552 nan 8.150 nan 0.000 0.443 289 K N -1.362 118.993 120.400 -0.075 0.000 2.414 289 K HA 0.170 4.490 4.320 0.000 0.000 0.204 289 K C -0.660 175.872 176.600 -0.114 0.000 1.026 289 K CA -0.124 56.120 56.287 -0.072 0.000 1.108 289 K CB 0.388 32.864 32.500 -0.040 0.000 0.855 289 K HN 0.417 nan 8.250 nan 0.000 0.517 290 N N 2.724 121.312 118.700 -0.186 0.000 2.608 290 N HA -0.199 4.541 4.740 0.000 0.000 0.273 290 N C -1.533 173.905 175.510 -0.120 0.000 1.133 290 N CA 0.915 53.868 53.050 -0.162 0.000 0.726 290 N CB -0.564 37.913 38.487 -0.016 0.000 0.890 290 N HN 0.428 nan 8.380 nan 0.000 0.548 291 R N -1.005 119.369 120.500 -0.211 0.000 2.594 291 R HA 0.477 4.817 4.340 0.000 0.000 0.265 291 R C -0.978 175.213 176.300 -0.182 0.000 1.070 291 R CA -1.088 54.934 56.100 -0.130 0.000 0.909 291 R CB 1.446 31.660 30.300 -0.142 0.000 1.243 291 R HN 0.195 nan 8.270 nan 0.000 0.455 292 R N 3.060 123.507 120.500 -0.088 0.000 2.267 292 R HA 0.399 4.739 4.340 0.000 0.000 0.319 292 R C -0.670 175.440 176.300 -0.316 0.000 1.067 292 R CA -0.208 55.771 56.100 -0.201 0.000 0.936 292 R CB 0.700 30.881 30.300 -0.198 0.000 1.006 292 R HN 0.643 nan 8.270 nan 0.000 0.452 293 I N 5.385 125.652 120.570 -0.505 0.000 2.441 293 I HA 0.262 4.432 4.170 0.000 0.000 0.295 293 I C -0.959 174.982 176.117 -0.294 0.000 0.994 293 I CA -1.225 59.806 61.300 -0.447 0.000 1.144 293 I CB 1.913 39.569 38.000 -0.575 0.000 1.314 293 I HN 0.500 nan 8.210 nan 0.000 0.445 294 L N 6.731 127.784 121.223 -0.283 0.000 2.305 294 L HA 0.497 4.837 4.340 0.000 0.000 0.284 294 L C -1.537 175.241 176.870 -0.153 0.000 1.013 294 L CA -0.016 54.703 54.840 -0.203 0.000 0.819 294 L CB 0.977 42.825 42.059 -0.352 0.000 1.227 294 L HN 0.426 nan 8.230 nan 0.000 0.417 295 W N 3.735 125.046 121.300 0.018 0.000 2.512 295 W HA 0.751 5.411 4.660 0.000 0.000 0.335 295 W C 0.382 176.870 176.519 -0.052 0.000 1.088 295 W CA -0.361 56.989 57.345 0.007 0.000 1.236 295 W CB 2.262 31.714 29.460 -0.013 0.000 1.307 295 W HN 0.752 nan 8.180 nan 0.000 0.567 296 G N 1.818 110.728 108.800 0.184 0.000 2.753 296 G HA2 0.356 4.316 3.960 0.000 0.000 0.295 296 G HA3 0.356 4.316 3.960 0.000 0.000 0.295 296 G C -2.534 172.295 174.900 -0.117 0.000 1.437 296 G CA -0.886 44.036 45.100 -0.298 0.000 1.094 296 G HN 0.457 nan 8.290 nan 0.000 0.540 297 W N 3.124 124.250 121.300 -0.290 0.000 2.322 297 W HA 0.676 5.336 4.660 0.000 0.000 0.307 297 W C -0.606 175.839 176.519 -0.124 0.000 1.220 297 W CA -0.690 56.571 57.345 -0.141 0.000 1.210 297 W CB 1.504 30.916 29.460 -0.080 0.000 1.223 297 W HN 0.380 nan 8.180 nan 0.000 0.511 298 T N 8.053 122.422 114.554 -0.308 0.000 2.809 298 T HA 0.150 4.500 4.350 0.000 0.000 0.296 298 T C 0.250 174.662 174.700 -0.480 0.000 1.015 298 T CA -0.742 61.097 62.100 -0.434 0.000 0.954 298 T CB 0.223 69.008 68.868 -0.138 0.000 0.950 298 T HN 0.526 nan 8.240 nan 0.000 0.450 299 N N 2.770 121.016 118.700 -0.757 0.000 2.327 299 N HA 0.147 4.887 4.740 0.000 0.000 0.257 299 N C -0.177 175.274 175.510 -0.098 0.000 1.281 299 N CA -0.534 52.311 53.050 -0.342 0.000 0.942 299 N CB 0.455 38.713 38.487 -0.381 0.000 1.199 299 N HN 0.282 nan 8.380 nan 0.000 0.532 300 E N -0.670 119.535 120.200 0.007 0.000 2.383 300 E HA 0.123 4.473 4.350 0.000 0.000 0.264 300 E C -0.125 176.505 176.600 0.051 0.000 1.050 300 E CA -0.080 56.357 56.400 0.061 0.000 0.896 300 E CB 0.639 30.314 29.700 -0.041 0.000 0.982 300 E HN 0.605 nan 8.360 nan 0.000 0.424 301 S N 0.284 116.087 115.700 0.172 0.000 2.539 301 S HA 0.030 4.500 4.470 0.000 0.000 0.221 301 S C 0.511 175.098 174.600 -0.022 0.000 0.987 301 S CA -0.247 58.032 58.200 0.131 0.000 0.929 301 S CB 0.264 63.591 63.200 0.212 0.000 0.832 301 S HN 0.507 nan 8.310 nan 0.000 0.492 302 S N 1.919 117.393 115.700 -0.377 0.000 2.632 302 S HA 0.524 4.994 4.470 0.000 0.000 0.271 302 S C 0.438 174.845 174.600 -0.322 0.000 1.260 302 S CA -0.714 57.104 58.200 -0.636 0.000 1.010 302 S CB 1.016 63.485 63.200 -1.218 0.000 0.965 302 S HN 0.345 nan 8.310 nan 0.000 0.534 303 S N 0.493 116.036 115.700 -0.261 0.000 2.576 303 S HA 0.052 4.522 4.470 0.000 0.000 0.272 303 S C 1.039 175.553 174.600 -0.143 0.000 1.352 303 S CA -0.278 57.827 58.200 -0.158 0.000 1.021 303 S CB 0.670 63.793 63.200 -0.129 0.000 0.887 303 S HN 1.061 nan 8.310 nan 0.000 0.542 304 V N 1.791 121.656 119.914 -0.082 0.000 2.594 304 V HA -0.121 3.999 4.120 0.000 0.000 0.253 304 V C 2.303 178.355 176.094 -0.069 0.000 1.069 304 V CA 2.397 64.665 62.300 -0.053 0.000 1.082 304 V CB -1.125 30.685 31.823 -0.022 0.000 0.680 304 V HN 0.979 nan 8.190 nan 0.000 0.469 305 E N 0.067 120.221 120.200 -0.076 0.000 2.038 305 E HA -0.226 4.124 4.350 0.000 0.000 0.195 305 E C 1.980 178.524 176.600 -0.094 0.000 1.000 305 E CA 1.874 58.231 56.400 -0.071 0.000 0.803 305 E CB -0.267 29.395 29.700 -0.063 0.000 0.750 305 E HN 0.607 nan 8.360 nan 0.000 0.448 306 D N 0.453 120.772 120.400 -0.135 0.000 2.149 306 D HA -0.145 4.495 4.640 0.000 0.000 0.198 306 D C 1.387 177.555 176.300 -0.220 0.000 0.990 306 D CA 1.094 54.989 54.000 -0.175 0.000 0.839 306 D CB -0.300 40.345 40.800 -0.259 0.000 0.948 306 D HN 0.141 nan 8.370 nan 0.000 0.460 307 D N -0.186 120.075 120.400 -0.231 0.000 2.084 307 D HA -0.094 4.546 4.640 0.000 0.000 0.194 307 D C 2.302 178.512 176.300 -0.150 0.000 0.990 307 D CA 0.440 54.290 54.000 -0.250 0.000 0.826 307 D CB -0.417 40.298 40.800 -0.141 0.000 0.971 307 D HN 0.035 nan 8.370 nan 0.000 0.453 308 V N 0.961 120.827 119.914 -0.079 0.000 2.332 308 V HA -0.238 3.882 4.120 0.000 0.000 0.248 308 V C 2.409 178.481 176.094 -0.038 0.000 1.055 308 V CA 1.860 64.136 62.300 -0.039 0.000 1.038 308 V CB -0.417 31.388 31.823 -0.030 0.000 0.651 308 V HN 0.263 nan 8.190 nan 0.000 0.450 309 E N 0.770 120.937 120.200 -0.055 0.000 2.047 309 E HA -0.262 4.088 4.350 0.000 0.000 0.191 309 E C 2.286 178.874 176.600 -0.020 0.000 0.987 309 E CA 1.577 57.957 56.400 -0.033 0.000 0.799 309 E CB -0.086 29.592 29.700 -0.036 0.000 0.752 309 E HN 0.758 nan 8.360 nan 0.000 0.449 310 K N -0.874 119.482 120.400 -0.074 0.000 2.365 310 K HA 0.010 4.330 4.320 0.000 0.000 0.199 310 K C 1.212 177.855 176.600 0.072 0.000 1.045 310 K CA 1.077 57.343 56.287 -0.034 0.000 0.962 310 K CB 0.187 32.576 32.500 -0.186 0.000 0.759 310 K HN 0.233 nan 8.250 nan 0.000 0.469 311 G N 1.324 110.135 108.800 0.019 0.000 2.141 311 G HA2 -0.196 3.764 3.960 0.000 0.000 0.242 311 G HA3 -0.196 3.764 3.960 0.000 0.000 0.242 311 G C -0.370 174.708 174.900 0.296 0.000 0.982 311 G CA 0.267 45.458 45.100 0.152 0.000 0.662 311 G HN 0.523 nan 8.290 nan 0.000 0.527 312 W N -1.667 119.690 121.300 0.095 0.000 3.059 312 W HA 0.772 5.432 4.660 -0.000 0.000 0.329 312 W C -0.883 175.707 176.519 0.119 0.000 1.246 312 W CA -0.785 56.629 57.345 0.115 0.000 1.190 312 W CB 1.015 30.529 29.460 0.089 0.000 1.423 312 W HN 0.777 nan 8.180 nan 0.000 0.571 313 S N 0.955 116.875 115.700 0.366 0.000 2.584 313 S HA 0.624 5.094 4.470 0.000 0.000 0.280 313 S C -0.519 174.155 174.600 0.123 0.000 1.162 313 S CA 0.581 58.878 58.200 0.161 0.000 0.951 313 S CB 0.548 63.874 63.200 0.211 0.000 1.108 313 S HN 2.101 nan 8.310 nan 0.000 0.464 314 G N 3.282 112.196 108.800 0.190 0.000 3.067 314 G HA2 0.129 4.089 3.960 0.000 0.000 0.686 314 G HA3 0.129 4.089 3.960 0.000 0.000 0.686 314 G C -0.899 174.122 174.900 0.200 0.000 1.119 314 G CA -0.342 44.857 45.100 0.166 0.000 0.790 314 G HN 1.657 nan 8.290 nan 0.000 0.605 315 I N -1.512 119.181 120.570 0.206 0.000 3.042 315 I HA 0.844 5.014 4.170 0.000 0.000 0.310 315 I C -0.274 175.968 176.117 0.209 0.000 1.117 315 I CA -1.455 59.925 61.300 0.134 0.000 1.003 315 I CB 2.193 40.233 38.000 0.067 0.000 1.228 315 I HN 0.455 nan 8.210 nan 0.000 0.443 316 Q N 2.470 122.410 119.800 0.234 0.000 2.222 316 Q HA 0.351 4.691 4.340 0.000 0.000 0.252 316 Q C -0.181 176.020 176.000 0.334 0.000 0.926 316 Q CA -0.480 55.501 55.803 0.296 0.000 0.899 316 Q CB 1.829 30.783 28.738 0.360 0.000 1.250 316 Q HN 0.873 nan 8.270 nan 0.000 0.441 317 T N -1.825 112.911 114.554 0.303 0.000 2.813 317 T HA 0.283 4.633 4.350 0.000 0.000 0.297 317 T C 0.810 175.657 174.700 0.245 0.000 1.036 317 T CA -0.816 61.491 62.100 0.346 0.000 1.044 317 T CB 0.452 69.515 68.868 0.326 0.000 0.993 317 T HN 0.330 nan 8.240 nan 0.000 0.535 318 I N 2.860 123.512 120.570 0.137 0.000 2.741 318 I HA 0.147 4.317 4.170 0.000 0.000 0.288 318 I C -1.911 174.108 176.117 -0.163 0.000 1.192 318 I CA -2.463 58.800 61.300 -0.062 0.000 1.426 318 I CB -0.579 37.363 38.000 -0.097 0.000 1.367 318 I HN 0.529 nan 8.210 nan 0.000 0.563 319 P HA 0.108 nan 4.420 nan 0.000 0.266 319 P C -0.602 176.467 177.300 -0.385 0.000 1.195 319 P CA 0.005 62.699 63.100 -0.677 0.000 0.768 319 P CB 0.380 31.431 31.700 -1.081 0.000 0.838 320 R N 1.560 121.872 120.500 -0.312 0.000 2.561 320 R HA 0.461 4.801 4.340 0.000 0.000 0.297 320 R C -0.450 175.740 176.300 -0.183 0.000 0.969 320 R CA -1.120 54.851 56.100 -0.215 0.000 0.879 320 R CB 1.506 31.716 30.300 -0.150 0.000 1.178 320 R HN 0.330 nan 8.270 nan 0.000 0.445 321 K N 4.345 124.699 120.400 -0.078 0.000 2.448 321 K HA 0.172 4.492 4.320 0.000 0.000 0.278 321 K C -0.135 176.529 176.600 0.108 0.000 1.009 321 K CA -0.193 56.113 56.287 0.033 0.000 0.995 321 K CB 0.438 33.032 32.500 0.156 0.000 0.917 321 K HN 0.719 nan 8.250 nan 0.000 0.481 322 I N 1.354 121.964 120.570 0.067 0.000 2.828 322 I HA 0.796 4.966 4.170 0.000 0.000 0.302 322 I C -1.375 174.862 176.117 0.201 0.000 1.101 322 I CA -0.926 60.337 61.300 -0.063 0.000 1.031 322 I CB 1.469 39.327 38.000 -0.236 0.000 1.231 322 I HN 0.929 nan 8.210 nan 0.000 0.427 323 W N 3.575 124.840 121.300 -0.059 0.000 2.937 323 W HA 0.622 5.282 4.660 -0.000 0.000 0.360 323 W C -2.531 173.967 176.519 -0.036 0.000 1.215 323 W CA -1.199 56.120 57.345 -0.044 0.000 1.183 323 W CB 0.619 30.045 29.460 -0.056 0.000 1.458 323 W HN 0.541 nan 8.180 nan 0.000 0.574 324 L N 3.680 125.015 121.223 0.187 0.000 2.331 324 L HA 0.154 4.494 4.340 0.000 0.000 0.278 324 L C 0.659 177.577 176.870 0.081 0.000 1.106 324 L CA -0.202 54.678 54.840 0.065 0.000 0.824 324 L CB 0.392 42.493 42.059 0.071 0.000 1.142 324 L HN 0.641 nan 8.230 nan 0.000 0.443 325 D N 4.611 124.999 120.400 -0.019 0.000 2.384 325 D HA -0.000 4.640 4.640 0.000 0.000 0.244 325 D C 0.841 177.060 176.300 -0.135 0.000 1.251 325 D CA -0.334 53.646 54.000 -0.033 0.000 0.961 325 D CB 0.803 41.589 40.800 -0.023 0.000 1.116 325 D HN 0.497 nan 8.370 nan 0.000 0.484 326 R N -0.357 120.009 120.500 -0.224 0.000 2.103 326 R HA -0.150 4.190 4.340 0.000 0.000 0.242 326 R C 2.336 178.593 176.300 -0.073 0.000 1.142 326 R CA 2.057 57.939 56.100 -0.362 0.000 0.960 326 R CB -0.439 29.772 30.300 -0.149 0.000 0.858 326 R HN 0.669 nan 8.270 nan 0.000 0.439 327 S N -0.836 114.869 115.700 0.008 0.000 2.481 327 S HA 0.017 4.487 4.470 0.000 0.000 0.231 327 S C 1.574 176.225 174.600 0.086 0.000 0.996 327 S CA 0.703 58.943 58.200 0.067 0.000 0.942 327 S CB 0.227 63.470 63.200 0.070 0.000 0.768 327 S HN 0.565 nan 8.310 nan 0.000 0.520 328 G N 1.417 110.260 108.800 0.072 0.000 2.168 328 G HA2 -0.317 3.643 3.960 0.000 0.000 0.263 328 G HA3 -0.317 3.643 3.960 0.000 0.000 0.263 328 G C 0.775 175.777 174.900 0.170 0.000 0.977 328 G CA 0.720 45.884 45.100 0.107 0.000 0.659 328 G HN 0.576 nan 8.290 nan 0.000 0.533 329 K N -0.210 120.297 120.400 0.179 0.000 2.323 329 K HA 0.151 4.471 4.320 0.000 0.000 0.197 329 K C 1.319 178.129 176.600 0.351 0.000 1.043 329 K CA 1.329 57.774 56.287 0.264 0.000 0.997 329 K CB 0.173 32.769 32.500 0.161 0.000 0.807 329 K HN 0.815 nan 8.250 nan 0.000 0.497 330 Q N -0.433 119.521 119.800 0.257 0.000 2.648 330 Q HA 0.427 4.767 4.340 0.000 0.000 0.300 330 Q C -1.212 174.892 176.000 0.174 0.000 0.954 330 Q CA -0.918 55.073 55.803 0.314 0.000 0.757 330 Q CB 1.100 30.006 28.738 0.281 0.000 1.482 330 Q HN -0.109 nan 8.270 nan 0.000 0.437 331 L N 1.069 122.380 121.223 0.147 0.000 2.360 331 L HA 0.521 4.861 4.340 0.000 0.000 0.271 331 L C -0.428 176.331 176.870 -0.185 0.000 1.057 331 L CA -1.131 53.638 54.840 -0.119 0.000 0.803 331 L CB 1.128 43.000 42.059 -0.311 0.000 1.207 331 L HN 0.547 nan 8.230 nan 0.000 0.445 332 I N 1.751 122.017 120.570 -0.506 0.000 2.460 332 I HA 0.424 4.594 4.170 0.000 0.000 0.298 332 I C -0.319 175.296 176.117 -0.837 0.000 0.989 332 I CA -0.521 60.365 61.300 -0.690 0.000 1.173 332 I CB 1.665 39.020 38.000 -1.073 0.000 1.338 332 I HN 0.665 nan 8.210 nan 0.000 0.456 333 Q N 4.910 124.445 119.800 -0.442 0.000 2.372 333 Q HA 0.521 4.861 4.340 0.000 0.000 0.273 333 Q C -1.538 174.465 176.000 0.005 0.000 1.078 333 Q CA -0.696 54.950 55.803 -0.261 0.000 0.806 333 Q CB 3.402 32.083 28.738 -0.095 0.000 1.332 333 Q HN 0.652 nan 8.270 nan 0.000 0.435 334 W N 2.761 123.895 121.300 -0.276 0.000 3.425 334 W HA 0.325 4.985 4.660 0.000 0.000 0.318 334 W C -3.003 173.330 176.519 -0.310 0.000 1.201 334 W CA -1.952 55.198 57.345 -0.324 0.000 1.212 334 W CB 1.892 31.319 29.460 -0.055 0.000 1.355 334 W HN 0.428 nan 8.180 nan 0.000 0.515 335 P HA -0.092 nan 4.420 nan 0.000 0.262 335 P C 0.166 177.279 177.300 -0.313 0.000 1.182 335 P CA 0.394 63.155 63.100 -0.565 0.000 0.761 335 P CB 0.319 31.586 31.700 -0.722 0.000 0.795 336 V N 2.581 122.360 119.914 -0.225 0.000 2.843 336 V HA -0.067 4.053 4.120 0.000 0.000 0.305 336 V C 1.555 177.561 176.094 -0.148 0.000 1.120 336 V CA 0.173 62.376 62.300 -0.162 0.000 1.254 336 V CB -0.120 31.577 31.823 -0.210 0.000 0.901 336 V HN 0.503 nan 8.190 nan 0.000 0.503 337 R N 1.847 122.292 120.500 -0.092 0.000 2.237 337 R HA -0.098 4.242 4.340 0.000 0.000 0.219 337 R C 1.819 178.042 176.300 -0.128 0.000 1.080 337 R CA 1.450 57.497 56.100 -0.087 0.000 0.995 337 R CB -0.115 30.154 30.300 -0.052 0.000 0.875 337 R HN 0.876 nan 8.270 nan 0.000 0.462 338 E N 0.621 120.743 120.200 -0.130 0.000 2.204 338 E HA -0.131 4.219 4.350 0.000 0.000 0.195 338 E C 1.823 178.330 176.600 -0.156 0.000 0.990 338 E CA 0.623 56.944 56.400 -0.132 0.000 0.821 338 E CB -0.185 29.441 29.700 -0.125 0.000 0.750 338 E HN 0.026 nan 8.360 nan 0.000 0.477 339 V N 0.970 120.776 119.914 -0.180 0.000 2.594 339 V HA -0.268 3.852 4.120 0.000 0.000 0.253 339 V C 1.420 177.348 176.094 -0.278 0.000 1.069 339 V CA 1.842 64.012 62.300 -0.216 0.000 1.082 339 V CB -0.177 31.509 31.823 -0.229 0.000 0.680 339 V HN 0.284 nan 8.190 nan 0.000 0.469 340 E N -0.584 119.453 120.200 -0.271 0.000 2.418 340 E HA -0.146 4.204 4.350 0.000 0.000 0.197 340 E C 2.234 178.660 176.600 -0.290 0.000 1.026 340 E CA 0.442 56.642 56.400 -0.334 0.000 0.862 340 E CB -0.083 29.424 29.700 -0.322 0.000 0.799 340 E HN 0.589 nan 8.360 nan 0.000 0.518 341 R N 0.319 120.691 120.500 -0.214 0.000 2.148 341 R HA -0.049 4.291 4.340 0.000 0.000 0.227 341 R C 2.031 178.233 176.300 -0.163 0.000 1.103 341 R CA 0.689 56.691 56.100 -0.165 0.000 0.983 341 R CB -0.138 30.087 30.300 -0.124 0.000 0.874 341 R HN 0.181 nan 8.270 nan 0.000 0.451 342 L N 0.422 121.523 121.223 -0.204 0.000 2.376 342 L HA -0.030 4.310 4.340 0.000 0.000 0.219 342 L C 0.728 177.482 176.870 -0.194 0.000 1.133 342 L CA 0.432 55.153 54.840 -0.199 0.000 0.816 342 L CB -0.226 41.664 42.059 -0.281 0.000 0.933 342 L HN 0.028 nan 8.230 nan 0.000 0.449 343 R N 0.565 120.920 120.500 -0.240 0.000 2.585 343 R HA -0.004 4.336 4.340 0.000 0.000 0.275 343 R C 0.563 176.840 176.300 -0.039 0.000 1.018 343 R CA 0.107 56.094 56.100 -0.189 0.000 1.072 343 R CB 0.204 30.215 30.300 -0.482 0.000 0.953 343 R HN -0.058 nan 8.270 nan 0.000 0.419 344 T N 2.114 116.715 114.554 0.080 0.000 2.903 344 T HA 0.002 4.352 4.350 0.000 0.000 0.314 344 T C 1.423 176.204 174.700 0.135 0.000 1.078 344 T CA -0.567 61.587 62.100 0.090 0.000 1.114 344 T CB 0.566 69.490 68.868 0.093 0.000 0.987 344 T HN 0.514 nan 8.240 nan 0.000 0.548 345 K N 2.737 123.184 120.400 0.079 0.000 2.032 345 K HA -0.076 4.244 4.320 0.000 0.000 0.209 345 K C 0.593 177.256 176.600 0.105 0.000 1.048 345 K CA 1.252 57.586 56.287 0.078 0.000 0.927 345 K CB -0.216 32.308 32.500 0.040 0.000 0.712 345 K HN 0.550 nan 8.250 nan 0.000 0.441 346 Q N 2.055 121.902 119.800 0.079 0.000 2.377 346 Q HA 0.234 4.574 4.340 0.000 0.000 0.249 346 Q C -0.454 175.556 176.000 0.017 0.000 1.005 346 Q CA -0.263 55.565 55.803 0.043 0.000 0.912 346 Q CB 1.365 30.113 28.738 0.017 0.000 1.223 346 Q HN 0.005 nan 8.270 nan 0.000 0.459 347 V N 3.072 122.967 119.914 -0.031 0.000 2.834 347 V HA 0.200 4.320 4.120 0.000 0.000 0.301 347 V C -0.125 175.821 176.094 -0.247 0.000 1.066 347 V CA -0.352 61.783 62.300 -0.275 0.000 1.052 347 V CB 1.411 32.962 31.823 -0.453 0.000 1.021 347 V HN 0.595 nan 8.190 nan 0.000 0.480 348 K N 6.044 126.251 120.400 -0.322 0.000 2.240 348 K HA 0.384 4.704 4.320 0.000 0.000 0.271 348 K C -0.459 175.982 176.600 -0.266 0.000 1.018 348 K CA -0.046 56.111 56.287 -0.217 0.000 0.874 348 K CB 0.575 32.981 32.500 -0.156 0.000 1.098 348 K HN 0.802 nan 8.250 nan 0.000 0.458 349 N N 5.219 123.810 118.700 -0.182 0.000 2.269 349 N HA 0.468 5.208 4.740 0.000 0.000 0.304 349 N C -1.461 173.984 175.510 -0.109 0.000 1.072 349 N CA -0.517 52.431 53.050 -0.170 0.000 0.802 349 N CB 0.904 39.307 38.487 -0.140 0.000 1.348 349 N HN 0.503 nan 8.380 nan 0.000 0.484 350 L N 3.053 124.211 121.223 -0.107 0.000 2.436 350 L HA 0.567 4.907 4.340 0.000 0.000 0.268 350 L C -0.559 176.266 176.870 -0.076 0.000 0.974 350 L CA -0.868 53.927 54.840 -0.074 0.000 0.826 350 L CB 2.207 44.225 42.059 -0.068 0.000 1.291 350 L HN 0.570 nan 8.230 nan 0.000 0.406 351 R N 1.959 122.426 120.500 -0.055 0.000 2.673 351 R HA 0.516 4.856 4.340 0.000 0.000 0.281 351 R C -0.810 175.466 176.300 -0.040 0.000 0.991 351 R CA -0.891 55.178 56.100 -0.052 0.000 0.896 351 R CB 1.345 31.619 30.300 -0.044 0.000 1.201 351 R HN 0.630 nan 8.270 nan 0.000 0.457 352 N N 1.556 120.231 118.700 -0.042 0.000 2.727 352 N HA -0.133 4.607 4.740 0.000 0.000 0.251 352 N C -1.132 174.364 175.510 -0.024 0.000 1.040 352 N CA 1.048 54.079 53.050 -0.032 0.000 0.712 352 N CB -0.490 37.983 38.487 -0.024 0.000 0.912 352 N HN 0.636 nan 8.380 nan 0.000 0.545 353 K N 0.327 120.711 120.400 -0.027 0.000 2.123 353 K HA 0.563 4.883 4.320 0.000 0.000 0.259 353 K C 0.277 176.872 176.600 -0.008 0.000 0.960 353 K CA -0.699 55.581 56.287 -0.011 0.000 0.872 353 K CB 2.078 34.575 32.500 -0.006 0.000 1.079 353 K HN -0.077 nan 8.250 nan 0.000 0.440 354 V N 3.829 123.743 119.914 0.000 0.000 2.334 354 V HA 0.268 4.388 4.120 0.000 0.000 0.281 354 V C 0.007 176.107 176.094 0.010 0.000 1.016 354 V CA -0.804 61.494 62.300 -0.003 0.000 0.832 354 V CB 0.905 32.723 31.823 -0.008 0.000 0.999 354 V HN 0.515 nan 8.190 nan 0.000 0.439 355 L N 6.095 127.325 121.223 0.011 0.000 2.312 355 L HA 0.345 4.685 4.340 0.000 0.000 0.287 355 L C 0.498 177.369 176.870 0.002 0.000 1.091 355 L CA -0.360 54.494 54.840 0.022 0.000 0.846 355 L CB 0.095 42.175 42.059 0.034 0.000 1.219 355 L HN 0.585 nan 8.230 nan 0.000 0.439 356 K N 1.426 121.839 120.400 0.021 0.000 2.149 356 K HA 0.195 4.515 4.320 0.000 0.000 0.245 356 K C 0.475 177.100 176.600 0.041 0.000 1.024 356 K CA -0.514 55.786 56.287 0.022 0.000 0.899 356 K CB 0.390 32.907 32.500 0.029 0.000 1.038 356 K HN 0.324 nan 8.250 nan 0.000 0.496 357 S N 0.406 116.133 115.700 0.045 0.000 2.544 357 S HA 0.239 4.709 4.470 0.000 0.000 0.290 357 S C 1.043 175.697 174.600 0.091 0.000 1.276 357 S CA 0.924 59.162 58.200 0.064 0.000 1.075 357 S CB -0.805 62.437 63.200 0.069 0.000 0.849 357 S HN 0.841 nan 8.310 nan 0.000 0.494 358 G N 3.144 112.046 108.800 0.171 0.000 2.143 358 G HA2 -0.240 3.720 3.960 0.000 0.000 0.248 358 G HA3 -0.240 3.720 3.960 0.000 0.000 0.248 358 G C 0.055 175.097 174.900 0.237 0.000 0.991 358 G CA 0.376 45.591 45.100 0.191 0.000 0.689 358 G HN 1.566 nan 8.290 nan 0.000 0.522 359 S N -0.689 115.154 115.700 0.239 0.000 2.549 359 S HA 0.874 5.344 4.470 0.000 0.000 0.297 359 S C -0.068 174.647 174.600 0.192 0.000 1.115 359 S CA -0.063 58.240 58.200 0.172 0.000 1.059 359 S CB 1.999 65.261 63.200 0.103 0.000 1.046 359 S HN 1.214 nan 8.310 nan 0.000 0.506 360 R N 0.936 121.528 120.500 0.155 0.000 2.673 360 R HA 0.784 5.124 4.340 0.000 0.000 0.281 360 R C -1.943 174.459 176.300 0.171 0.000 0.991 360 R CA -1.077 55.112 56.100 0.150 0.000 0.896 360 R CB 1.124 31.452 30.300 0.047 0.000 1.201 360 R HN 0.531 nan 8.270 nan 0.000 0.457 361 L N 1.488 122.834 121.223 0.206 0.000 2.349 361 L HA 0.404 4.744 4.340 0.000 0.000 0.278 361 L C -0.501 176.452 176.870 0.139 0.000 0.996 361 L CA -0.423 54.510 54.840 0.155 0.000 0.825 361 L CB 1.905 44.021 42.059 0.096 0.000 1.243 361 L HN 0.858 nan 8.230 nan 0.000 0.412 362 E N 3.152 123.349 120.200 -0.004 0.000 2.331 362 E HA 0.393 4.743 4.350 0.000 0.000 0.272 362 E C -1.291 174.970 176.600 -0.566 0.000 1.036 362 E CA -0.626 55.504 56.400 -0.451 0.000 0.864 362 E CB 1.203 30.447 29.700 -0.761 0.000 1.035 362 E HN 0.492 nan 8.360 nan 0.000 0.408 363 V N 5.945 125.542 119.914 -0.529 0.000 2.304 363 V HA 0.183 4.303 4.120 0.000 0.000 0.269 363 V C -0.679 175.201 176.094 -0.357 0.000 1.036 363 V CA -0.448 61.645 62.300 -0.344 0.000 0.840 363 V CB -0.473 31.229 31.823 -0.201 0.000 1.036 363 V HN 0.595 nan 8.190 nan 0.000 0.466 364 Y N 1.620 121.869 120.300 -0.085 0.000 2.326 364 Y HA 0.553 5.103 4.550 0.000 0.000 0.324 364 Y C 1.481 177.340 175.900 -0.067 0.000 1.291 364 Y CA 0.489 58.549 58.100 -0.066 0.000 1.348 364 Y CB 0.956 39.393 38.460 -0.038 0.000 1.294 364 Y HN 0.757 nan 8.280 nan 0.000 0.525 365 G N 0.236 109.115 108.800 0.131 0.000 2.256 365 G HA2 -0.138 3.822 3.960 0.000 0.000 0.272 365 G HA3 -0.138 3.822 3.960 0.000 0.000 0.272 365 G C -0.974 173.928 174.900 0.003 0.000 1.076 365 G CA 0.241 45.370 45.100 0.048 0.000 0.882 365 G HN 0.737 nan 8.290 nan 0.000 0.497 366 V N -0.197 119.710 119.914 -0.011 0.000 3.012 366 V HA 0.821 4.941 4.120 0.000 0.000 0.307 366 V C 0.554 176.631 176.094 -0.028 0.000 1.166 366 V CA 0.143 62.429 62.300 -0.023 0.000 0.974 366 V CB 2.295 34.093 31.823 -0.043 0.000 1.040 366 V HN 1.190 nan 8.190 nan 0.000 0.428 367 T N 3.479 118.027 114.554 -0.010 0.000 2.840 367 T HA 0.399 4.749 4.350 0.000 0.000 0.276 367 T C 1.096 175.777 174.700 -0.032 0.000 0.912 367 T CA 0.282 62.373 62.100 -0.015 0.000 1.116 367 T CB 0.849 69.726 68.868 0.015 0.000 0.895 367 T HN 1.290 nan 8.240 nan 0.000 0.570 368 A N 3.132 125.912 122.820 -0.066 0.000 2.067 368 A HA 0.344 4.664 4.320 0.000 0.000 0.219 368 A C 2.396 179.945 177.584 -0.060 0.000 1.158 368 A CA 0.893 52.889 52.037 -0.069 0.000 0.661 368 A CB -0.646 18.285 19.000 -0.114 0.000 0.801 368 A HN 1.077 nan 8.150 nan 0.000 0.452 369 A N -1.895 120.865 122.820 -0.100 0.000 2.275 369 A HA 0.306 4.626 4.320 0.000 0.000 0.212 369 A C 0.931 178.274 177.584 -0.402 0.000 1.201 369 A CA 0.668 52.580 52.037 -0.210 0.000 0.843 369 A CB -0.053 18.833 19.000 -0.190 0.000 0.873 369 A HN 0.495 nan 8.150 nan 0.000 0.492 370 Q N -0.519 119.181 119.800 -0.166 0.000 3.550 370 Q HA 0.565 4.905 4.340 0.000 0.000 0.206 370 Q C -1.199 174.880 176.000 0.133 0.000 0.891 370 Q CA -0.059 55.752 55.803 0.014 0.000 0.737 370 Q CB 0.823 29.583 28.738 0.038 0.000 1.417 370 Q HN 0.473 nan 8.270 nan 0.000 0.460 371 A N 1.757 124.679 122.820 0.171 0.000 2.609 371 A HA 0.702 5.022 4.320 0.000 0.000 0.291 371 A C -1.919 175.751 177.584 0.144 0.000 1.096 371 A CA -0.664 51.444 52.037 0.117 0.000 0.684 371 A CB 2.028 21.077 19.000 0.082 0.000 1.282 371 A HN 0.481 nan 8.150 nan 0.000 0.412 372 D N 0.018 120.504 120.400 0.144 0.000 2.375 372 D HA 0.533 5.173 4.640 0.000 0.000 0.247 372 D C -1.519 174.970 176.300 0.315 0.000 1.061 372 D CA 0.065 54.175 54.000 0.183 0.000 0.834 372 D CB 1.840 42.682 40.800 0.071 0.000 1.247 372 D HN 0.825 nan 8.370 nan 0.000 0.489 373 V N 3.311 123.380 119.914 0.259 0.000 2.612 373 V HA 0.459 4.579 4.120 0.000 0.000 0.301 373 V C -1.267 174.970 176.094 0.238 0.000 1.059 373 V CA -0.477 61.954 62.300 0.219 0.000 0.886 373 V CB 1.604 33.496 31.823 0.115 0.000 1.007 373 V HN 0.542 nan 8.190 nan 0.000 0.426 374 E N 4.093 124.456 120.200 0.271 0.000 2.191 374 E HA 0.746 5.096 4.350 0.000 0.000 0.274 374 E C -1.396 175.278 176.600 0.123 0.000 0.948 374 E CA -0.613 55.943 56.400 0.259 0.000 0.802 374 E CB 2.746 32.669 29.700 0.372 0.000 1.137 374 E HN 0.565 nan 8.360 nan 0.000 0.397 375 V N 4.164 124.142 119.914 0.107 0.000 2.932 375 V HA 0.420 4.540 4.120 0.000 0.000 0.307 375 V C -1.730 174.317 176.094 -0.078 0.000 1.147 375 V CA -0.615 61.645 62.300 -0.067 0.000 0.951 375 V CB 1.635 33.352 31.823 -0.176 0.000 1.031 375 V HN 0.560 nan 8.190 nan 0.000 0.426 376 L N 6.270 127.376 121.223 -0.195 0.000 2.313 376 L HA 0.615 4.955 4.340 0.000 0.000 0.283 376 L C -1.259 175.452 176.870 -0.263 0.000 1.013 376 L CA -0.315 54.461 54.840 -0.107 0.000 0.816 376 L CB 1.666 43.703 42.059 -0.036 0.000 1.236 376 L HN 0.555 nan 8.230 nan 0.000 0.419 377 F N 2.730 122.747 119.950 0.113 0.000 2.443 377 F HA 0.491 5.018 4.527 -0.000 0.000 0.335 377 F C 0.218 176.005 175.800 -0.021 0.000 1.104 377 F CA -0.627 57.415 58.000 0.071 0.000 1.013 377 F CB 1.726 40.888 39.000 0.271 0.000 1.136 377 F HN 0.270 nan 8.300 nan 0.000 0.470 378 K N 3.033 123.481 120.400 0.081 0.000 2.270 378 K HA 0.729 5.049 4.320 0.000 0.000 0.255 378 K C -1.304 175.228 176.600 -0.114 0.000 0.936 378 K CA -0.816 55.461 56.287 -0.017 0.000 0.809 378 K CB 1.710 34.193 32.500 -0.028 0.000 1.131 378 K HN 0.538 nan 8.250 nan 0.000 0.427 379 V N 1.771 121.593 119.914 -0.153 0.000 2.612 379 V HA 0.521 4.641 4.120 0.000 0.000 0.301 379 V C 0.595 176.593 176.094 -0.160 0.000 1.046 379 V CA -0.571 61.601 62.300 -0.214 0.000 0.946 379 V CB 1.728 33.405 31.823 -0.244 0.000 1.003 379 V HN 0.837 nan 8.190 nan 0.000 0.459 380 R N 0.734 121.147 120.500 -0.146 0.000 2.056 380 R HA 0.246 4.586 4.340 0.000 0.000 0.215 380 R C 0.023 176.261 176.300 -0.104 0.000 1.205 380 R CA 0.677 56.715 56.100 -0.103 0.000 1.020 380 R CB -0.036 30.216 30.300 -0.079 0.000 0.911 380 R HN 0.810 nan 8.270 nan 0.000 0.451 381 D N 2.243 122.583 120.400 -0.101 0.000 2.500 381 D HA 0.128 4.768 4.640 0.000 0.000 0.219 381 D C 1.107 177.337 176.300 -0.116 0.000 1.137 381 D CA -0.026 53.926 54.000 -0.081 0.000 0.946 381 D CB 1.313 42.085 40.800 -0.046 0.000 1.022 381 D HN 0.013 nan 8.370 nan 0.000 0.518 382 L N 1.450 122.563 121.223 -0.183 0.000 2.093 382 L HA -0.224 4.116 4.340 0.000 0.000 0.208 382 L C 1.993 178.813 176.870 -0.083 0.000 1.085 382 L CA 1.294 55.943 54.840 -0.317 0.000 0.755 382 L CB 0.066 41.746 42.059 -0.632 0.000 0.904 382 L HN 0.207 nan 8.230 nan 0.000 0.435 383 E N -0.622 119.596 120.200 0.030 0.000 2.268 383 E HA -0.184 4.166 4.350 0.000 0.000 0.195 383 E C 1.645 178.299 176.600 0.090 0.000 0.995 383 E CA 0.689 57.163 56.400 0.123 0.000 0.836 383 E CB -0.295 29.459 29.700 0.090 0.000 0.763 383 E HN 0.155 nan 8.360 nan 0.000 0.491 384 K N 0.716 121.141 120.400 0.041 0.000 2.555 384 K HA 0.177 4.497 4.320 0.000 0.000 0.193 384 K C 0.478 177.114 176.600 0.061 0.000 1.032 384 K CA 0.571 56.880 56.287 0.036 0.000 1.004 384 K CB -0.223 32.283 32.500 0.011 0.000 0.804 384 K HN 0.233 nan 8.250 nan 0.000 0.496 385 A N 1.892 124.768 122.820 0.093 0.000 2.425 385 A HA 0.105 4.425 4.320 0.000 0.000 0.249 385 A C -0.561 177.114 177.584 0.151 0.000 1.084 385 A CA -0.373 51.735 52.037 0.118 0.000 0.781 385 A CB 0.111 19.212 19.000 0.167 0.000 1.019 385 A HN 0.167 nan 8.150 nan 0.000 0.490 386 D N 0.387 120.881 120.400 0.156 0.000 2.362 386 D HA 0.362 5.002 4.640 0.000 0.000 0.242 386 D C -0.144 176.296 176.300 0.233 0.000 1.132 386 D CA -0.070 54.042 54.000 0.188 0.000 0.907 386 D CB 0.743 41.686 40.800 0.238 0.000 1.195 386 D HN 0.237 nan 8.370 nan 0.000 0.429 387 V N 2.517 122.508 119.914 0.129 0.000 2.530 387 V HA 0.075 4.195 4.120 0.000 0.000 0.282 387 V C 0.589 176.684 176.094 0.001 0.000 1.048 387 V CA -0.552 61.785 62.300 0.062 0.000 0.997 387 V CB 0.994 32.809 31.823 -0.014 0.000 0.987 387 V HN 0.498 nan 8.190 nan 0.000 0.477 388 I N 3.677 124.212 120.570 -0.058 0.000 2.588 388 I HA 0.163 4.333 4.170 0.000 0.000 0.283 388 I C 0.819 176.680 176.117 -0.426 0.000 1.119 388 I CA -0.358 60.739 61.300 -0.338 0.000 1.419 388 I CB 0.597 38.386 38.000 -0.352 0.000 1.394 388 I HN 0.635 nan 8.210 nan 0.000 0.562 389 E N 8.799 128.526 120.200 -0.788 0.000 2.415 389 E HA 0.027 4.377 4.350 0.000 0.000 0.260 389 E C -1.763 174.581 176.600 -0.427 0.000 1.016 389 E CA -1.297 54.648 56.400 -0.758 0.000 0.924 389 E CB 0.669 29.503 29.700 -1.443 0.000 0.961 389 E HN 0.443 nan 8.360 nan 0.000 0.459 390 P HA -0.130 nan 4.420 nan 0.000 0.225 390 P C 1.103 178.384 177.300 -0.032 0.000 1.148 390 P CA 1.009 64.039 63.100 -0.115 0.000 0.779 390 P CB 0.242 31.889 31.700 -0.089 0.000 0.780 391 S N -3.516 112.181 115.700 -0.004 0.000 2.593 391 S HA -0.015 4.455 4.470 0.000 0.000 0.217 391 S C 0.209 174.996 174.600 0.313 0.000 0.966 391 S CA -0.401 57.874 58.200 0.125 0.000 0.914 391 S CB -0.754 62.524 63.200 0.130 0.000 0.776 391 S HN 0.018 nan 8.310 nan 0.000 0.523 392 W N 3.712 124.998 121.300 -0.023 0.000 2.318 392 W HA 0.446 5.106 4.660 0.000 0.000 0.362 392 W C 1.263 177.816 176.519 0.056 0.000 0.978 392 W CA -0.932 56.411 57.345 -0.003 0.000 1.509 392 W CB -0.268 29.155 29.460 -0.062 0.000 1.437 392 W HN 0.411 nan 8.180 nan 0.000 0.361 393 T N -3.032 111.681 114.554 0.265 0.000 2.990 393 T HA 0.001 4.351 4.350 0.000 0.000 0.249 393 T C 0.119 174.998 174.700 0.300 0.000 1.039 393 T CA 0.119 62.369 62.100 0.251 0.000 1.036 393 T CB 0.289 69.247 68.868 0.150 0.000 0.994 393 T HN 0.046 nan 8.240 nan 0.000 0.489 394 D N 3.351 123.843 120.400 0.153 0.000 2.396 394 D HA 0.308 4.948 4.640 0.000 0.000 0.225 394 D C -1.394 174.835 176.300 -0.119 0.000 1.121 394 D CA -2.674 51.348 54.000 0.037 0.000 0.853 394 D CB 1.991 42.799 40.800 0.013 0.000 1.043 394 D HN 0.009 nan 8.370 nan 0.000 0.500 395 P HA -0.209 nan 4.420 nan 0.000 0.215 395 P C 1.349 178.447 177.300 -0.335 0.000 1.153 395 P CA 1.066 63.784 63.100 -0.636 0.000 0.853 395 P CB 0.385 31.453 31.700 -1.054 0.000 0.788 396 Q N -0.065 119.600 119.800 -0.224 0.000 2.084 396 Q HA -0.128 4.212 4.340 0.000 0.000 0.202 396 Q C 2.315 178.237 176.000 -0.130 0.000 0.978 396 Q CA 1.316 57.039 55.803 -0.133 0.000 0.844 396 Q CB -0.557 28.155 28.738 -0.044 0.000 0.898 396 Q HN 0.205 nan 8.270 nan 0.000 0.426 397 L N 0.139 121.280 121.223 -0.136 0.000 2.217 397 L HA -0.130 4.210 4.340 0.000 0.000 0.211 397 L C 2.261 178.984 176.870 -0.245 0.000 1.107 397 L CA 0.549 55.294 54.840 -0.158 0.000 0.783 397 L CB -0.235 41.740 42.059 -0.140 0.000 0.919 397 L HN 0.305 nan 8.230 nan 0.000 0.442 398 I N -0.946 119.454 120.570 -0.285 0.000 2.202 398 I HA -0.303 3.867 4.170 0.000 0.000 0.242 398 I C 2.563 178.574 176.117 -0.176 0.000 1.091 398 I CA 1.011 62.099 61.300 -0.353 0.000 1.368 398 I CB -0.432 37.428 38.000 -0.233 0.000 1.058 398 I HN 0.345 nan 8.210 nan 0.000 0.410 399 c N 0.199 118.727 118.600 -0.121 0.000 2.425 399 c HA -0.121 4.449 4.570 0.000 0.000 0.277 399 c C 3.182 177.248 174.090 -0.039 0.000 1.280 399 c CA 1.155 57.453 56.329 -0.051 0.000 1.744 399 c CB -0.962 41.473 42.510 -0.124 0.000 1.989 399 c HN 0.495 nan 8.230 nan 0.000 0.491 400 S N 0.678 116.323 115.700 -0.091 0.000 2.368 400 S HA -0.147 4.323 4.470 0.000 0.000 0.224 400 S C 1.836 176.393 174.600 -0.071 0.000 1.029 400 S CA 1.325 59.475 58.200 -0.082 0.000 0.988 400 S CB -0.180 62.962 63.200 -0.096 0.000 0.838 400 S HN 0.658 nan 8.310 nan 0.000 0.462 401 K N 0.414 120.749 120.400 -0.110 0.000 2.116 401 K HA 0.205 4.525 4.320 0.000 0.000 0.203 401 K C 0.460 177.031 176.600 -0.048 0.000 1.052 401 K CA 0.637 56.863 56.287 -0.101 0.000 0.952 401 K CB 0.034 32.426 32.500 -0.180 0.000 0.729 401 K HN 0.282 nan 8.250 nan 0.000 0.446 402 M N 2.984 122.567 119.600 -0.030 0.000 2.495 402 M HA 0.106 4.586 4.480 0.000 0.000 0.346 402 M C -0.638 175.724 176.300 0.104 0.000 1.251 402 M CA -0.687 54.652 55.300 0.065 0.000 1.249 402 M CB 0.302 32.988 32.600 0.143 0.000 1.229 402 M HN 0.142 nan 8.290 nan 0.000 0.450 403 N N 0.958 119.699 118.700 0.069 0.000 2.285 403 N HA 0.111 4.851 4.740 0.000 0.000 0.262 403 N C 1.053 176.583 175.510 0.033 0.000 1.299 403 N CA -0.615 52.482 53.050 0.079 0.000 0.930 403 N CB 0.215 38.726 38.487 0.040 0.000 1.157 403 N HN 0.288 nan 8.380 nan 0.000 0.532 404 V N -3.667 116.250 119.914 0.005 0.000 2.626 404 V HA -0.139 3.981 4.120 0.000 0.000 0.252 404 V C 1.782 177.895 176.094 0.031 0.000 1.067 404 V CA 1.856 64.116 62.300 -0.066 0.000 1.081 404 V CB -1.402 30.414 31.823 -0.011 0.000 0.686 404 V HN 0.795 nan 8.190 nan 0.000 0.468 405 S N -0.259 115.437 115.700 -0.007 0.000 2.562 405 S HA 0.182 4.652 4.470 0.000 0.000 0.221 405 S C 0.699 175.269 174.600 -0.050 0.000 0.975 405 S CA 0.272 58.434 58.200 -0.065 0.000 0.918 405 S CB -0.464 62.694 63.200 -0.069 0.000 0.772 405 S HN 0.426 nan 8.310 nan 0.000 0.531 406 V N 3.258 123.164 119.914 -0.013 0.000 2.353 406 V HA 0.282 4.402 4.120 0.000 0.000 0.264 406 V C 0.242 176.329 176.094 -0.012 0.000 1.049 406 V CA -0.682 61.624 62.300 0.009 0.000 0.896 406 V CB 0.404 32.262 31.823 0.058 0.000 1.025 406 V HN 0.346 nan 8.190 nan 0.000 0.475 407 K N 3.200 123.550 120.400 -0.083 0.000 2.219 407 K HA 0.544 4.864 4.320 0.000 0.000 0.258 407 K C 0.427 176.968 176.600 -0.099 0.000 1.008 407 K CA -0.101 56.049 56.287 -0.227 0.000 0.928 407 K CB 0.975 33.089 32.500 -0.642 0.000 0.983 407 K HN 0.851 nan 8.250 nan 0.000 0.484 408 S N -0.950 114.692 115.700 -0.097 0.000 2.705 408 S HA 0.421 4.891 4.470 0.000 0.000 0.280 408 S C 1.039 175.744 174.600 0.175 0.000 1.174 408 S CA -0.569 57.694 58.200 0.104 0.000 0.823 408 S CB 1.146 64.389 63.200 0.073 0.000 1.162 408 S HN 0.619 nan 8.310 nan 0.000 0.487 409 G N 0.280 109.215 108.800 0.225 0.000 2.587 409 G HA2 0.030 3.990 3.960 0.000 0.000 0.217 409 G HA3 0.030 3.990 3.960 0.000 0.000 0.217 409 G C 0.145 175.105 174.900 0.101 0.000 1.240 409 G CA 0.771 45.989 45.100 0.195 0.000 0.794 409 G HN 0.561 nan 8.290 nan 0.000 0.580 410 L N 1.412 122.655 121.223 0.034 0.000 2.337 410 L HA 0.625 4.965 4.340 0.000 0.000 0.269 410 L C 0.561 177.502 176.870 0.118 0.000 1.018 410 L CA 0.479 55.350 54.840 0.052 0.000 0.876 410 L CB -0.256 41.818 42.059 0.025 0.000 1.236 410 L HN 0.637 nan 8.230 nan 0.000 0.436 411 G N 4.843 113.744 108.800 0.168 0.000 2.428 411 G HA2 0.017 3.977 3.960 0.000 0.000 0.681 411 G HA3 0.017 3.977 3.960 0.000 0.000 0.681 411 G C -3.337 171.548 174.900 -0.026 0.000 1.340 411 G CA -1.015 44.149 45.100 0.107 0.000 0.915 411 G HN 0.224 nan 8.290 nan 0.000 0.645 412 P HA 0.580 nan 4.420 nan 0.000 0.287 412 P C -0.709 176.325 177.300 -0.444 0.000 1.281 412 P CA -0.242 62.676 63.100 -0.304 0.000 0.781 412 P CB 0.330 31.605 31.700 -0.709 0.000 0.903 413 F N 1.039 120.620 119.950 -0.614 0.000 2.556 413 F HA 0.902 5.429 4.527 0.000 0.000 0.314 413 F C 0.172 175.370 175.800 -1.002 0.000 1.106 413 F CA -0.630 56.744 58.000 -1.043 0.000 0.911 413 F CB 1.766 40.322 39.000 -0.740 0.000 1.190 413 F HN 0.634 nan 8.300 nan 0.000 0.448 414 G N 2.663 110.848 108.800 -1.025 0.000 2.593 414 G HA2 0.346 4.306 3.960 0.000 0.000 0.103 414 G HA3 0.346 4.306 3.960 0.000 0.000 0.103 414 G C -2.167 172.868 174.900 0.225 0.000 1.103 414 G CA -0.869 44.033 45.100 -0.328 0.000 1.109 414 G HN 0.769 nan 8.290 nan 0.000 0.516 415 L N 0.646 122.101 121.223 0.387 0.000 2.342 415 L HA 0.722 5.062 4.340 0.000 0.000 0.271 415 L C -0.276 176.830 176.870 0.392 0.000 1.008 415 L CA -0.643 54.445 54.840 0.413 0.000 0.818 415 L CB 2.178 44.397 42.059 0.268 0.000 1.296 415 L HN 0.394 nan 8.230 nan 0.000 0.427 416 M N 4.096 123.873 119.600 0.295 0.000 2.044 416 M HA 0.415 4.895 4.480 0.000 0.000 0.333 416 M C -0.662 175.781 176.300 0.239 0.000 1.004 416 M CA -0.748 54.653 55.300 0.168 0.000 0.954 416 M CB 1.620 34.197 32.600 -0.039 0.000 1.468 416 M HN 0.386 nan 8.290 nan 0.000 0.414 417 V N 1.733 121.761 119.914 0.189 0.000 2.881 417 V HA 0.600 4.720 4.120 0.000 0.000 0.316 417 V C 0.513 176.693 176.094 0.143 0.000 1.070 417 V CA -1.048 61.341 62.300 0.149 0.000 0.976 417 V CB 1.731 33.618 31.823 0.107 0.000 1.038 417 V HN 0.936 nan 8.190 nan 0.000 0.446 418 L N 0.344 121.634 121.223 0.112 0.000 3.762 418 L HA -0.170 4.170 4.340 0.000 0.000 0.460 418 L C 0.548 177.518 176.870 0.168 0.000 1.255 418 L CA 0.809 55.713 54.840 0.107 0.000 0.783 418 L CB -1.515 40.585 42.059 0.067 0.000 1.600 418 L HN 1.165 nan 8.230 nan 0.000 0.862 419 A N 0.092 123.058 122.820 0.243 0.000 2.312 419 A HA 0.772 5.092 4.320 0.000 0.000 0.328 419 A C 0.559 178.361 177.584 0.364 0.000 1.158 419 A CA 0.228 52.464 52.037 0.331 0.000 0.821 419 A CB 1.213 20.482 19.000 0.449 0.000 1.170 419 A HN 0.449 nan 8.150 nan 0.000 0.490 420 S N 1.294 117.175 115.700 0.301 0.000 2.617 420 S HA 0.236 4.706 4.470 0.000 0.000 0.269 420 S C 1.089 175.817 174.600 0.214 0.000 1.292 420 S CA -0.183 58.188 58.200 0.285 0.000 1.010 420 S CB 1.158 64.468 63.200 0.183 0.000 0.944 420 S HN 0.796 nan 8.310 nan 0.000 0.536 421 K N 1.169 121.623 120.400 0.091 0.000 2.089 421 K HA -0.180 4.140 4.320 0.000 0.000 0.210 421 K C 0.439 176.989 176.600 -0.082 0.000 1.048 421 K CA 1.697 57.811 56.287 -0.288 0.000 0.926 421 K CB -0.379 32.034 32.500 -0.144 0.000 0.714 421 K HN 0.680 nan 8.250 nan 0.000 0.448 422 N N 0.756 119.449 118.700 -0.011 0.000 2.276 422 N HA 0.042 4.782 4.740 0.000 0.000 0.212 422 N C -0.235 175.260 175.510 -0.025 0.000 1.127 422 N CA 0.084 53.121 53.050 -0.022 0.000 0.834 422 N CB 0.369 38.856 38.487 0.001 0.000 1.014 422 N HN 0.100 nan 8.380 nan 0.000 0.491 423 L N 0.386 121.605 121.223 -0.007 0.000 3.737 423 L HA -0.264 4.076 4.340 0.000 0.000 0.418 423 L C 1.118 178.092 176.870 0.172 0.000 1.216 423 L CA 0.601 55.472 54.840 0.051 0.000 0.915 423 L CB -1.641 40.296 42.059 -0.204 0.000 1.834 423 L HN 0.096 nan 8.230 nan 0.000 0.943 424 E N -0.103 120.168 120.200 0.118 0.000 2.072 424 E HA -0.044 4.306 4.350 0.000 0.000 0.191 424 E C 0.509 177.149 176.600 0.066 0.000 0.985 424 E CA 1.542 57.993 56.400 0.084 0.000 0.801 424 E CB 0.105 29.839 29.700 0.057 0.000 0.750 424 E HN 0.669 nan 8.360 nan 0.000 0.452 425 E N -0.867 119.394 120.200 0.102 0.000 2.238 425 E HA 0.487 4.837 4.350 0.000 0.000 0.267 425 E C -1.248 175.442 176.600 0.150 0.000 0.887 425 E CA -0.897 55.513 56.400 0.017 0.000 0.769 425 E CB 1.864 31.590 29.700 0.042 0.000 1.187 425 E HN 0.053 nan 8.360 nan 0.000 0.416 426 Y N -2.423 117.880 120.300 0.004 0.000 2.638 426 Y HA 0.404 4.954 4.550 0.000 0.000 0.334 426 Y C -1.245 174.648 175.900 -0.013 0.000 1.182 426 Y CA -1.170 56.933 58.100 0.006 0.000 1.102 426 Y CB 0.892 39.332 38.460 -0.035 0.000 1.343 426 Y HN 0.206 nan 8.280 nan 0.000 0.463 427 T N 2.526 117.181 114.554 0.168 0.000 2.770 427 T HA 0.528 4.878 4.350 0.000 0.000 0.283 427 T C -0.696 174.107 174.700 0.171 0.000 0.988 427 T CA -0.784 61.373 62.100 0.095 0.000 0.957 427 T CB 0.965 69.859 68.868 0.042 0.000 0.930 427 T HN 0.628 nan 8.240 nan 0.000 0.443 428 S N 2.769 118.580 115.700 0.185 0.000 2.422 428 S HA 0.457 4.927 4.470 0.000 0.000 0.298 428 S C -0.003 174.724 174.600 0.213 0.000 1.118 428 S CA -0.795 57.551 58.200 0.243 0.000 1.083 428 S CB 0.738 64.129 63.200 0.318 0.000 0.971 428 S HN 0.515 nan 8.310 nan 0.000 0.478 429 V N 5.556 125.580 119.914 0.183 0.000 2.334 429 V HA 0.573 4.693 4.120 0.000 0.000 0.281 429 V C -0.684 175.399 176.094 -0.017 0.000 1.016 429 V CA -0.720 61.570 62.300 -0.017 0.000 0.832 429 V CB -0.350 31.448 31.823 -0.043 0.000 0.999 429 V HN 0.890 nan 8.190 nan 0.000 0.439 430 Y N 2.837 122.979 120.300 -0.262 0.000 2.644 430 Y HA 0.881 5.431 4.550 0.000 0.000 0.338 430 Y C -1.622 173.849 175.900 -0.715 0.000 1.119 430 Y CA -2.088 55.736 58.100 -0.459 0.000 1.060 430 Y CB 1.306 39.662 38.460 -0.173 0.000 1.294 430 Y HN 0.301 nan 8.280 nan 0.000 0.472 431 F N 1.005 120.671 119.950 -0.474 0.000 2.507 431 F HA 0.785 5.312 4.527 0.000 0.000 0.327 431 F C -0.009 175.534 175.800 -0.428 0.000 1.068 431 F CA -0.992 56.658 58.000 -0.584 0.000 0.965 431 F CB 2.134 40.535 39.000 -0.999 0.000 1.192 431 F HN 0.378 nan 8.300 nan 0.000 0.476 432 R N 2.314 122.819 120.500 0.007 0.000 2.628 432 R HA 0.633 4.973 4.340 0.000 0.000 0.288 432 R C -1.648 174.574 176.300 -0.130 0.000 0.980 432 R CA -0.878 55.165 56.100 -0.095 0.000 0.891 432 R CB 2.379 32.637 30.300 -0.071 0.000 1.188 432 R HN 0.370 nan 8.270 nan 0.000 0.450 433 I N 3.663 124.100 120.570 -0.222 0.000 2.389 433 I HA 0.397 4.567 4.170 0.000 0.000 0.288 433 I C -0.488 175.479 176.117 -0.250 0.000 0.999 433 I CA -0.637 60.596 61.300 -0.111 0.000 1.129 433 I CB 0.884 38.871 38.000 -0.021 0.000 1.288 433 I HN 0.463 nan 8.210 nan 0.000 0.444 434 F N 3.839 123.920 119.950 0.217 0.000 2.541 434 F HA 0.499 5.026 4.527 0.000 0.000 0.331 434 F C 0.713 176.663 175.800 0.250 0.000 1.057 434 F CA -0.930 57.191 58.000 0.202 0.000 0.975 434 F CB 1.436 40.536 39.000 0.166 0.000 1.246 434 F HN 0.259 nan 8.300 nan 0.000 0.484 435 K N 0.770 121.389 120.400 0.364 0.000 2.234 435 K HA 0.524 4.844 4.320 0.000 0.000 0.282 435 K C 0.667 177.277 176.600 0.016 0.000 1.039 435 K CA -0.104 56.244 56.287 0.101 0.000 0.928 435 K CB 1.451 33.968 32.500 0.029 0.000 1.039 435 K HN 0.804 nan 8.250 nan 0.000 0.470 436 A N 4.727 127.485 122.820 -0.104 0.000 1.865 436 A HA -0.129 4.191 4.320 0.000 0.000 0.217 436 A C 1.004 178.531 177.584 -0.096 0.000 1.191 436 A CA 1.388 53.370 52.037 -0.092 0.000 0.623 436 A CB 0.001 18.929 19.000 -0.120 0.000 0.826 436 A HN 0.709 nan 8.150 nan 0.000 0.444 437 R N -1.168 119.266 120.500 -0.110 0.000 2.764 437 R HA 0.289 4.629 4.340 0.000 0.000 0.270 437 R C -1.211 175.039 176.300 -0.082 0.000 1.014 437 R CA -0.621 55.424 56.100 -0.090 0.000 0.904 437 R CB 0.888 31.137 30.300 -0.085 0.000 1.236 437 R HN 0.468 nan 8.270 nan 0.000 0.466 438 Q N 1.483 121.245 119.800 -0.063 0.000 2.274 438 Q HA 0.004 4.344 4.340 0.000 0.000 0.280 438 Q C -0.437 175.535 176.000 -0.047 0.000 1.047 438 Q CA 1.042 56.817 55.803 -0.047 0.000 0.907 438 Q CB 0.033 28.748 28.738 -0.039 0.000 1.171 438 Q HN 0.709 nan 8.270 nan 0.000 0.381 439 N N 0.980 119.656 118.700 -0.039 0.000 2.708 439 N HA -0.232 4.508 4.740 0.000 0.000 0.251 439 N C -0.975 174.501 175.510 -0.056 0.000 1.123 439 N CA 0.640 53.670 53.050 -0.033 0.000 0.739 439 N CB -0.604 37.871 38.487 -0.021 0.000 1.113 439 N HN 0.428 nan 8.380 nan 0.000 0.561 440 S N -0.612 115.027 115.700 -0.102 0.000 2.652 440 S HA 0.357 4.827 4.470 0.000 0.000 0.270 440 S C 0.924 175.397 174.600 -0.211 0.000 1.243 440 S CA -0.499 57.616 58.200 -0.142 0.000 0.999 440 S CB 1.241 64.339 63.200 -0.169 0.000 0.973 440 S HN 0.329 nan 8.310 nan 0.000 0.544 441 N N 1.179 119.781 118.700 -0.163 0.000 2.236 441 N HA 0.174 4.914 4.740 0.000 0.000 0.196 441 N C -0.619 174.775 175.510 -0.194 0.000 1.114 441 N CA 0.200 53.184 53.050 -0.110 0.000 0.859 441 N CB 0.106 38.617 38.487 0.040 0.000 0.982 441 N HN 0.476 nan 8.380 nan 0.000 0.493 442 K N 0.047 120.277 120.400 -0.282 0.000 2.174 442 K HA 0.253 4.573 4.320 0.000 0.000 0.275 442 K C -1.017 175.339 176.600 -0.407 0.000 1.015 442 K CA -0.195 55.980 56.287 -0.186 0.000 0.933 442 K CB 0.956 33.394 32.500 -0.102 0.000 1.025 442 K HN 0.003 nan 8.250 nan 0.000 0.463 443 Y N -0.297 120.042 120.300 0.066 0.000 2.570 443 Y HA 0.436 4.986 4.550 0.000 0.000 0.345 443 Y C -0.498 175.443 175.900 0.069 0.000 1.014 443 Y CA -1.169 56.974 58.100 0.072 0.000 1.063 443 Y CB 1.828 40.326 38.460 0.064 0.000 1.272 443 Y HN 0.110 nan 8.280 nan 0.000 0.477 444 V N 2.937 123.025 119.914 0.290 0.000 2.376 444 V HA 0.371 4.491 4.120 0.000 0.000 0.287 444 V C -0.908 175.394 176.094 0.347 0.000 1.015 444 V CA -0.869 61.565 62.300 0.223 0.000 0.834 444 V CB 1.341 33.249 31.823 0.141 0.000 1.001 444 V HN 0.517 nan 8.190 nan 0.000 0.428 445 V N 6.471 126.555 119.914 0.283 0.000 2.333 445 V HA 0.383 4.503 4.120 0.000 0.000 0.274 445 V C -0.125 176.206 176.094 0.395 0.000 1.028 445 V CA -0.429 62.030 62.300 0.266 0.000 0.851 445 V CB 1.397 33.287 31.823 0.112 0.000 1.000 445 V HN 0.667 nan 8.190 nan 0.000 0.456 446 L N 6.301 127.773 121.223 0.415 0.000 2.312 446 L HA 0.627 4.967 4.340 0.000 0.000 0.281 446 L C -0.289 176.670 176.870 0.148 0.000 1.070 446 L CA 0.066 55.090 54.840 0.305 0.000 0.805 446 L CB 1.271 43.561 42.059 0.385 0.000 1.174 446 L HN 0.750 nan 8.230 nan 0.000 0.434 447 M N 5.757 125.338 119.600 -0.032 0.000 2.181 447 M HA 0.456 4.936 4.480 0.000 0.000 0.323 447 M C -1.698 174.373 176.300 -0.381 0.000 1.004 447 M CA -0.307 54.853 55.300 -0.233 0.000 0.941 447 M CB 0.964 33.472 32.600 -0.153 0.000 1.579 447 M HN 0.702 nan 8.290 nan 0.000 0.427 448 c N 2.133 120.356 118.600 -0.629 0.000 2.411 448 c HA 0.684 5.254 4.570 0.000 0.000 0.330 448 c C 0.183 173.949 174.090 -0.540 0.000 1.224 448 c CA -0.679 55.265 56.329 -0.641 0.000 1.770 448 c CB 1.589 43.506 42.510 -0.988 0.000 2.297 448 c HN 0.842 nan 8.230 nan 0.000 0.507 449 S N 1.752 117.282 115.700 -0.283 0.000 2.594 449 S HA 0.343 4.813 4.470 0.000 0.000 0.322 449 S C -1.145 173.370 174.600 -0.142 0.000 1.085 449 S CA -0.208 57.898 58.200 -0.155 0.000 1.116 449 S CB 0.125 63.313 63.200 -0.019 0.000 0.979 449 S HN 0.819 nan 8.310 nan 0.000 0.465 450 D N 3.615 123.961 120.400 -0.090 0.000 2.414 450 D HA 0.257 4.897 4.640 0.000 0.000 0.232 450 D C 0.065 176.320 176.300 -0.075 0.000 1.070 450 D CA -0.367 53.597 54.000 -0.061 0.000 0.839 450 D CB 1.257 42.123 40.800 0.110 0.000 1.079 450 D HN 0.612 nan 8.370 nan 0.000 0.521 451 Q N 2.158 121.866 119.800 -0.153 0.000 2.186 451 Q HA 0.090 4.430 4.340 0.000 0.000 0.241 451 Q C 1.066 176.966 176.000 -0.165 0.000 0.849 451 Q CA -0.207 55.506 55.803 -0.150 0.000 1.053 451 Q CB 0.033 28.683 28.738 -0.148 0.000 1.146 451 Q HN 0.377 nan 8.270 nan 0.000 0.475 452 S N 1.082 116.684 115.700 -0.163 0.000 2.382 452 S HA -0.070 4.400 4.470 0.000 0.000 0.228 452 S C 1.485 175.970 174.600 -0.193 0.000 1.027 452 S CA 0.608 58.715 58.200 -0.155 0.000 0.991 452 S CB -0.123 63.004 63.200 -0.122 0.000 0.823 452 S HN 0.373 nan 8.310 nan 0.000 0.469 453 R N 1.176 121.493 120.500 -0.306 0.000 2.700 453 R HA 0.294 4.634 4.340 0.000 0.000 0.377 453 R C 1.364 177.427 176.300 -0.394 0.000 1.130 453 R CA 0.500 56.362 56.100 -0.398 0.000 1.055 453 R CB 0.380 30.302 30.300 -0.631 0.000 1.387 453 R HN 0.633 nan 8.270 nan 0.000 0.580 454 S N -1.056 114.500 115.700 -0.239 0.000 2.453 454 S HA -0.006 4.464 4.470 0.000 0.000 0.231 454 S C 0.907 175.462 174.600 -0.075 0.000 1.005 454 S CA 0.263 58.376 58.200 -0.145 0.000 0.949 454 S CB 0.305 63.441 63.200 -0.107 0.000 0.774 454 S HN 0.116 nan 8.310 nan 0.000 0.510 455 S N -1.043 114.615 115.700 -0.071 0.000 2.541 455 S HA 0.567 5.037 4.470 0.000 0.000 0.271 455 S C 0.172 174.756 174.600 -0.027 0.000 1.133 455 S CA -0.853 57.337 58.200 -0.016 0.000 0.876 455 S CB 1.073 64.282 63.200 0.015 0.000 1.105 455 S HN 0.272 nan 8.310 nan 0.000 0.470 456 L N 2.006 123.230 121.223 0.001 0.000 2.291 456 L HA 0.191 4.532 4.340 0.000 0.000 0.214 456 L C 1.303 178.170 176.870 -0.006 0.000 1.120 456 L CA 0.745 55.583 54.840 -0.004 0.000 0.799 456 L CB -0.170 41.898 42.059 0.015 0.000 0.925 456 L HN 0.559 nan 8.230 nan 0.000 0.446 457 K N 0.815 121.216 120.400 0.002 0.000 2.312 457 K HA 0.030 4.350 4.320 0.000 0.000 0.287 457 K C 0.515 177.097 176.600 -0.029 0.000 1.062 457 K CA -0.078 56.203 56.287 -0.010 0.000 0.934 457 K CB 0.994 33.491 32.500 -0.005 0.000 1.027 457 K HN 0.005 nan 8.250 nan 0.000 0.478 458 E N 2.253 122.433 120.200 -0.034 0.000 2.435 458 E HA -0.074 4.276 4.350 0.000 0.000 0.195 458 E C 0.366 176.937 176.600 -0.049 0.000 1.029 458 E CA 0.493 56.869 56.400 -0.041 0.000 0.865 458 E CB 0.228 29.906 29.700 -0.037 0.000 0.833 458 E HN 0.613 nan 8.360 nan 0.000 0.510 459 D N 0.742 121.108 120.400 -0.056 0.000 2.178 459 D HA -0.083 4.557 4.640 0.000 0.000 0.201 459 D C 0.222 176.471 176.300 -0.086 0.000 0.980 459 D CA 0.640 54.597 54.000 -0.071 0.000 0.842 459 D CB -0.149 40.601 40.800 -0.083 0.000 0.948 459 D HN 0.099 nan 8.370 nan 0.000 0.472 460 N N 1.700 120.348 118.700 -0.087 0.000 2.454 460 N HA -0.046 4.694 4.740 0.000 0.000 0.254 460 N C -0.229 175.253 175.510 -0.048 0.000 1.228 460 N CA 0.176 53.180 53.050 -0.078 0.000 0.900 460 N CB 0.487 38.965 38.487 -0.015 0.000 1.089 460 N HN 0.056 nan 8.380 nan 0.000 0.449 461 D N 1.215 121.596 120.400 -0.032 0.000 2.342 461 D HA 0.026 4.666 4.640 0.000 0.000 0.260 461 D C -0.188 176.089 176.300 -0.039 0.000 1.278 461 D CA 0.234 54.217 54.000 -0.028 0.000 0.910 461 D CB 0.289 41.085 40.800 -0.007 0.000 1.079 461 D HN 0.262 nan 8.370 nan 0.000 0.496 462 K N 2.709 123.063 120.400 -0.076 0.000 2.681 462 K HA 0.122 4.442 4.320 0.000 0.000 0.211 462 K C -0.024 176.465 176.600 -0.185 0.000 1.075 462 K CA -0.341 55.876 56.287 -0.117 0.000 1.141 462 K CB 0.420 32.858 32.500 -0.103 0.000 0.896 462 K HN 0.361 nan 8.250 nan 0.000 0.470 463 T N 1.973 116.398 114.554 -0.214 0.000 2.902 463 T HA 0.000 4.350 4.350 0.000 0.000 0.301 463 T C 0.447 174.784 174.700 -0.605 0.000 1.012 463 T CA 0.647 62.566 62.100 -0.302 0.000 1.151 463 T CB 0.752 69.498 68.868 -0.204 0.000 0.946 463 T HN 0.066 nan 8.240 nan 0.000 0.542 464 T N 3.756 118.034 114.554 -0.461 0.000 2.889 464 T HA 0.445 4.795 4.350 0.000 0.000 0.291 464 T C -0.588 173.824 174.700 -0.481 0.000 0.995 464 T CA -0.288 61.525 62.100 -0.479 0.000 1.092 464 T CB 0.209 68.939 68.868 -0.230 0.000 0.954 464 T HN 0.357 nan 8.240 nan 0.000 0.506 465 Y N 0.302 120.537 120.300 -0.110 0.000 2.567 465 Y HA 0.750 5.300 4.550 0.000 0.000 0.333 465 Y C 0.755 176.545 175.900 -0.184 0.000 1.106 465 Y CA -1.255 56.770 58.100 -0.125 0.000 1.157 465 Y CB 1.797 40.190 38.460 -0.112 0.000 1.277 465 Y HN 0.847 nan 8.280 nan 0.000 0.490 466 G N -0.517 108.268 108.800 -0.025 0.000 2.703 466 G HA2 0.721 4.681 3.960 0.000 0.000 0.294 466 G HA3 0.721 4.681 3.960 0.000 0.000 0.294 466 G C -2.117 172.580 174.900 -0.339 0.000 1.451 466 G CA -0.452 44.522 45.100 -0.209 0.000 0.869 466 G HN 0.875 nan 8.290 nan 0.000 0.516 467 A N 0.532 123.075 122.820 -0.462 0.000 2.566 467 A HA 0.770 5.090 4.320 0.000 0.000 0.297 467 A C -1.100 176.202 177.584 -0.471 0.000 1.059 467 A CA -0.775 50.856 52.037 -0.677 0.000 0.691 467 A CB 0.807 19.308 19.000 -0.832 0.000 1.282 467 A HN 0.730 nan 8.150 nan 0.000 0.401 468 F N 0.891 120.704 119.950 -0.228 0.000 2.410 468 F HA 0.478 5.005 4.527 0.000 0.000 0.334 468 F C 0.484 176.254 175.800 -0.051 0.000 1.134 468 F CA -0.112 57.844 58.000 -0.072 0.000 1.227 468 F CB 1.377 40.356 39.000 -0.035 0.000 1.194 468 F HN 0.286 nan 8.300 nan 0.000 0.571 469 V N 1.380 121.445 119.914 0.251 0.000 2.487 469 V HA 0.140 4.260 4.120 0.000 0.000 0.298 469 V C -0.661 175.523 176.094 0.150 0.000 1.028 469 V CA -0.850 61.556 62.300 0.177 0.000 0.860 469 V CB 1.679 33.625 31.823 0.205 0.000 0.991 469 V HN 0.591 nan 8.190 nan 0.000 0.427 470 D N 5.354 125.828 120.400 0.123 0.000 2.619 470 D HA 0.366 5.006 4.640 0.000 0.000 0.224 470 D C -0.192 176.160 176.300 0.088 0.000 1.133 470 D CA 0.080 54.139 54.000 0.098 0.000 1.017 470 D CB -0.200 40.655 40.800 0.092 0.000 1.077 470 D HN 0.610 nan 8.370 nan 0.000 0.503 471 I N -1.743 118.878 120.570 0.084 0.000 2.969 471 I HA 0.518 4.688 4.170 0.000 0.000 0.307 471 I C -0.464 175.698 176.117 0.075 0.000 1.149 471 I CA -1.298 60.043 61.300 0.068 0.000 1.008 471 I CB 1.937 39.964 38.000 0.045 0.000 1.232 471 I HN -0.229 nan 8.210 nan 0.000 0.435 472 N N 4.017 122.764 118.700 0.079 0.000 2.414 472 N HA 0.381 5.121 4.740 0.000 0.000 0.256 472 N C -2.007 173.550 175.510 0.078 0.000 1.029 472 N CA -2.197 50.925 53.050 0.120 0.000 0.948 472 N CB 1.453 40.017 38.487 0.129 0.000 1.102 472 N HN 0.423 nan 8.380 nan 0.000 0.496 473 P HA 0.021 nan 4.420 nan 0.000 0.237 473 P C 0.403 177.609 177.300 -0.157 0.000 1.178 473 P CA 0.859 63.893 63.100 -0.110 0.000 0.766 473 P CB 0.263 31.824 31.700 -0.232 0.000 0.876 474 H N -1.259 117.760 119.070 -0.084 0.000 2.422 474 H HA -0.056 4.500 4.556 0.000 0.000 0.298 474 H C 0.877 176.183 175.328 -0.037 0.000 1.098 474 H CA 1.150 57.163 56.048 -0.059 0.000 1.315 474 H CB -0.452 29.302 29.762 -0.013 0.000 1.382 474 H HN 0.190 nan 8.280 nan 0.000 0.523 475 Q N 0.341 120.198 119.800 0.095 0.000 2.212 475 Q HA 0.267 4.607 4.340 0.000 0.000 0.238 475 Q C -2.337 173.674 176.000 0.018 0.000 0.955 475 Q CA -2.108 53.724 55.803 0.049 0.000 0.906 475 Q CB 0.469 29.238 28.738 0.051 0.000 1.215 475 Q HN 0.098 nan 8.270 nan 0.000 0.478 476 P HA 0.059 nan 4.420 nan 0.000 0.271 476 P C -1.105 176.219 177.300 0.040 0.000 1.216 476 P CA -0.241 62.876 63.100 0.029 0.000 0.776 476 P CB 0.486 32.204 31.700 0.030 0.000 0.881 477 L N 2.282 123.543 121.223 0.064 0.000 2.276 477 L HA 0.253 4.593 4.340 0.000 0.000 0.286 477 L C 0.616 177.598 176.870 0.188 0.000 1.061 477 L CA 0.606 55.455 54.840 0.015 0.000 0.807 477 L CB 0.545 42.475 42.059 -0.214 0.000 1.177 477 L HN 0.273 nan 8.230 nan 0.000 0.429 478 S N 3.781 119.599 115.700 0.196 0.000 2.525 478 S HA 0.742 5.212 4.470 0.000 0.000 0.278 478 S C -0.741 174.151 174.600 0.488 0.000 1.234 478 S CA -0.414 57.965 58.200 0.298 0.000 1.058 478 S CB 1.268 64.604 63.200 0.226 0.000 0.983 478 S HN 0.395 nan 8.310 nan 0.000 0.495 479 L N 3.421 124.933 121.223 0.481 0.000 2.505 479 L HA 0.581 4.921 4.340 0.000 0.000 0.266 479 L C -0.721 176.368 176.870 0.364 0.000 0.954 479 L CA -0.286 54.833 54.840 0.464 0.000 0.852 479 L CB 1.651 44.014 42.059 0.507 0.000 1.282 479 L HN 0.687 nan 8.230 nan 0.000 0.403 480 R N 3.832 124.549 120.500 0.363 0.000 2.740 480 R HA 0.960 5.300 4.340 0.000 0.000 0.282 480 R C -1.593 174.865 176.300 0.263 0.000 0.969 480 R CA -0.428 55.857 56.100 0.308 0.000 0.918 480 R CB 1.996 32.455 30.300 0.266 0.000 1.175 480 R HN 0.806 nan 8.270 nan 0.000 0.464 481 A N 5.350 128.298 122.820 0.213 0.000 2.446 481 A HA 0.379 4.699 4.320 0.000 0.000 0.282 481 A C -1.184 176.511 177.584 0.185 0.000 1.102 481 A CA -0.680 51.461 52.037 0.174 0.000 0.737 481 A CB 0.894 19.974 19.000 0.133 0.000 1.212 481 A HN 0.653 nan 8.150 nan 0.000 0.434 482 L N 3.494 124.849 121.223 0.221 0.000 2.281 482 L HA 0.440 4.780 4.340 0.000 0.000 0.285 482 L C -0.493 176.540 176.870 0.271 0.000 1.074 482 L CA 0.081 55.090 54.840 0.281 0.000 0.817 482 L CB 0.698 42.972 42.059 0.359 0.000 1.168 482 L HN 0.560 nan 8.230 nan 0.000 0.434 483 I N 3.265 124.003 120.570 0.280 0.000 2.404 483 I HA 0.335 4.505 4.170 0.000 0.000 0.293 483 I C -0.589 175.633 176.117 0.176 0.000 0.992 483 I CA -0.242 61.157 61.300 0.165 0.000 1.149 483 I CB 1.917 39.975 38.000 0.098 0.000 1.315 483 I HN 0.471 nan 8.210 nan 0.000 0.446 484 D N 5.357 125.757 120.400 -0.000 0.000 2.823 484 D HA 0.209 4.849 4.640 0.000 0.000 0.255 484 D C 0.501 176.769 176.300 -0.053 0.000 1.257 484 D CA 0.014 53.945 54.000 -0.115 0.000 0.803 484 D CB 0.161 40.744 40.800 -0.363 0.000 1.384 484 D HN 0.690 nan 8.370 nan 0.000 0.541 485 H N 0.123 119.197 119.070 0.008 0.000 4.891 485 H HA -0.272 4.284 4.556 0.000 0.000 0.059 485 H C 1.100 176.454 175.328 0.044 0.000 0.587 485 H CA 2.164 58.239 56.048 0.045 0.000 0.970 485 H CB -1.546 28.248 29.762 0.054 0.000 0.535 485 H HN 0.448 nan 8.280 nan 0.000 0.802 486 S N 1.159 116.922 115.700 0.106 0.000 2.629 486 S HA 0.495 4.965 4.470 0.000 0.000 0.236 486 S C 0.318 174.759 174.600 -0.266 0.000 1.010 486 S CA 0.403 58.519 58.200 -0.139 0.000 0.981 486 S CB 1.482 64.614 63.200 -0.113 0.000 0.919 486 S HN 0.390 nan 8.310 nan 0.000 0.514 487 V N 1.374 121.165 119.914 -0.204 0.000 2.638 487 V HA 0.747 4.867 4.120 0.000 0.000 0.306 487 V C -1.624 174.379 176.094 -0.153 0.000 1.052 487 V CA -0.623 61.532 62.300 -0.241 0.000 0.885 487 V CB 2.008 33.581 31.823 -0.416 0.000 0.999 487 V HN 0.212 nan 8.190 nan 0.000 0.424 488 V N 6.270 126.126 119.914 -0.097 0.000 2.444 488 V HA 0.558 4.678 4.120 0.000 0.000 0.294 488 V C -0.335 175.730 176.094 -0.047 0.000 1.022 488 V CA -0.573 61.708 62.300 -0.032 0.000 0.850 488 V CB 1.653 33.463 31.823 -0.021 0.000 0.992 488 V HN 0.945 nan 8.190 nan 0.000 0.426 489 E N 2.788 122.983 120.200 -0.008 0.000 2.092 489 E HA 0.502 4.852 4.350 0.000 0.000 0.271 489 E C -0.783 175.647 176.600 -0.283 0.000 0.919 489 E CA -0.341 55.972 56.400 -0.145 0.000 0.760 489 E CB 1.707 31.426 29.700 0.031 0.000 1.106 489 E HN 0.606 nan 8.360 nan 0.000 0.408 490 S N 2.787 118.207 115.700 -0.467 0.000 2.451 490 S HA 0.489 4.959 4.470 0.000 0.000 0.301 490 S C -0.784 173.461 174.600 -0.591 0.000 1.116 490 S CA -0.656 57.338 58.200 -0.343 0.000 1.093 490 S CB 0.366 63.446 63.200 -0.199 0.000 1.017 490 S HN 0.307 nan 8.310 nan 0.000 0.482 491 F N 1.532 121.491 119.950 0.016 0.000 2.434 491 F HA 0.534 5.061 4.527 -0.000 0.000 0.355 491 F C 0.822 176.749 175.800 0.212 0.000 1.115 491 F CA -0.676 57.380 58.000 0.094 0.000 1.010 491 F CB 1.424 40.458 39.000 0.056 0.000 1.234 491 F HN 0.658 nan 8.300 nan 0.000 0.439 492 G N 0.478 109.470 108.800 0.320 0.000 2.389 492 G HA2 0.461 4.421 3.960 0.000 0.000 0.317 492 G HA3 0.461 4.421 3.960 0.000 0.000 0.317 492 G C 0.609 175.732 174.900 0.371 0.000 1.137 492 G CA -0.385 44.954 45.100 0.398 0.000 0.870 492 G HN 1.170 nan 8.290 nan 0.000 0.496 493 G N 0.641 109.651 108.800 0.350 0.000 2.273 493 G HA2 -0.100 3.860 3.960 0.000 0.000 0.280 493 G HA3 -0.100 3.860 3.960 0.000 0.000 0.280 493 G C 0.648 175.657 174.900 0.181 0.000 1.047 493 G CA 0.923 46.152 45.100 0.215 0.000 0.869 493 G HN 1.893 nan 8.290 nan 0.000 0.502 494 K N -1.998 118.537 120.400 0.225 0.000 3.150 494 K HA 0.015 4.335 4.320 0.000 0.000 0.267 494 K C 1.640 178.309 176.600 0.115 0.000 1.028 494 K CA 2.295 58.600 56.287 0.030 0.000 0.753 494 K CB -1.534 30.871 32.500 -0.158 0.000 1.288 494 K HN 2.398 nan 8.250 nan 0.000 0.473 495 G N -0.613 108.455 108.800 0.447 0.000 2.157 495 G HA2 -0.338 3.622 3.960 0.000 0.000 0.239 495 G HA3 -0.338 3.622 3.960 0.000 0.000 0.239 495 G C 0.830 175.845 174.900 0.191 0.000 0.982 495 G CA 0.401 45.748 45.100 0.411 0.000 0.650 495 G HN 0.479 nan 8.290 nan 0.000 0.527 496 R N 0.121 120.726 120.500 0.175 0.000 2.200 496 R HA 0.462 4.802 4.340 0.000 0.000 0.208 496 R C 1.184 177.584 176.300 0.167 0.000 1.033 496 R CA 1.193 57.373 56.100 0.132 0.000 1.000 496 R CB 0.264 30.636 30.300 0.120 0.000 0.906 496 R HN 0.740 nan 8.270 nan 0.000 0.462 497 A N 0.468 123.398 122.820 0.185 0.000 2.385 497 A HA 0.445 4.765 4.320 0.000 0.000 0.290 497 A C -0.975 176.663 177.584 0.090 0.000 1.094 497 A CA -0.712 51.406 52.037 0.136 0.000 0.729 497 A CB 0.930 19.974 19.000 0.074 0.000 1.194 497 A HN 0.176 nan 8.150 nan 0.000 0.442 498 C N 2.788 122.120 119.300 0.052 0.000 2.351 498 C HA 0.741 5.201 4.460 0.000 0.000 0.326 498 C C -0.046 174.821 174.990 -0.205 0.000 1.272 498 C CA -0.484 58.417 59.018 -0.195 0.000 1.650 498 C CB -0.190 27.415 27.740 -0.226 0.000 2.257 498 C HN 0.685 nan 8.230 nan 0.000 0.505 499 I N 2.851 123.227 120.570 -0.322 0.000 2.497 499 I HA 0.258 4.428 4.170 0.000 0.000 0.284 499 I C -0.183 175.765 176.117 -0.281 0.000 1.060 499 I CA 0.168 61.318 61.300 -0.251 0.000 1.071 499 I CB 1.629 39.540 38.000 -0.148 0.000 1.216 499 I HN 0.568 nan 8.210 nan 0.000 0.442 500 T N 4.269 118.658 114.554 -0.275 0.000 2.837 500 T HA 0.549 4.899 4.350 0.000 0.000 0.285 500 T C 0.012 174.634 174.700 -0.131 0.000 0.984 500 T CA -0.523 61.468 62.100 -0.181 0.000 1.049 500 T CB 1.374 70.186 68.868 -0.093 0.000 0.947 500 T HN 0.728 nan 8.240 nan 0.000 0.472 501 S N 3.007 118.685 115.700 -0.036 0.000 2.595 501 S HA 0.790 5.260 4.470 0.000 0.000 0.281 501 S C -1.309 173.274 174.600 -0.027 0.000 1.117 501 S CA -1.288 56.965 58.200 0.087 0.000 0.873 501 S CB 1.845 65.149 63.200 0.172 0.000 1.108 501 S HN 0.425 nan 8.310 nan 0.000 0.477 502 R N 1.001 121.484 120.500 -0.029 0.000 2.480 502 R HA 0.760 5.100 4.340 0.000 0.000 0.306 502 R C -0.750 175.368 176.300 -0.304 0.000 0.958 502 R CA -0.675 55.309 56.100 -0.194 0.000 0.861 502 R CB 1.390 31.634 30.300 -0.094 0.000 1.171 502 R HN 0.923 nan 8.270 nan 0.000 0.445 503 V N -0.134 119.426 119.914 -0.590 0.000 3.078 503 V HA 0.649 4.769 4.120 0.000 0.000 0.311 503 V C -1.302 174.269 176.094 -0.873 0.000 1.138 503 V CA -0.938 61.068 62.300 -0.490 0.000 1.007 503 V CB 2.460 34.156 31.823 -0.213 0.000 1.045 503 V HN 0.702 nan 8.190 nan 0.000 0.432 504 Y N 1.586 121.753 120.300 -0.222 0.000 2.535 504 Y HA 0.551 5.101 4.550 0.000 0.000 0.351 504 Y C -2.723 173.095 175.900 -0.137 0.000 1.050 504 Y CA -2.195 55.603 58.100 -0.503 0.000 1.168 504 Y CB 1.223 39.191 38.460 -0.821 0.000 1.116 504 Y HN 0.488 nan 8.280 nan 0.000 0.654 505 P HA 0.092 nan 4.420 nan 0.000 0.269 505 P C 0.508 177.998 177.300 0.317 0.000 1.209 505 P CA -0.139 63.091 63.100 0.217 0.000 0.776 505 P CB 1.398 33.211 31.700 0.188 0.000 0.876 506 K N 1.278 121.798 120.400 0.200 0.000 2.166 506 K HA 0.167 4.487 4.320 0.000 0.000 0.201 506 K C 1.551 178.230 176.600 0.132 0.000 1.052 506 K CA 1.278 57.669 56.287 0.173 0.000 0.969 506 K CB -0.317 32.252 32.500 0.116 0.000 0.761 506 K HN 0.337 nan 8.250 nan 0.000 0.459 507 L N -0.776 120.521 121.223 0.123 0.000 2.349 507 L HA 0.291 4.631 4.340 0.000 0.000 0.200 507 L C 0.744 177.691 176.870 0.129 0.000 1.064 507 L CA 0.110 55.018 54.840 0.113 0.000 0.821 507 L CB -0.164 41.960 42.059 0.109 0.000 1.027 507 L HN -0.104 nan 8.230 nan 0.000 0.476 508 A N 1.770 124.679 122.820 0.147 0.000 2.981 508 A HA 0.449 4.769 4.320 0.000 0.000 0.280 508 A C -0.114 177.551 177.584 0.135 0.000 1.797 508 A CA 0.225 52.353 52.037 0.151 0.000 1.456 508 A CB -1.311 17.788 19.000 0.165 0.000 1.057 508 A HN 0.269 nan 8.150 nan 0.000 0.602 509 I N 0.410 121.044 120.570 0.107 0.000 2.608 509 I HA 0.574 4.744 4.170 0.000 0.000 0.295 509 I C 1.248 177.410 176.117 0.075 0.000 1.049 509 I CA -0.205 61.154 61.300 0.100 0.000 1.063 509 I CB 1.968 40.000 38.000 0.055 0.000 1.248 509 I HN 0.696 nan 8.210 nan 0.000 0.424 510 G N 4.723 113.589 108.800 0.111 0.000 2.685 510 G HA2 -0.381 3.579 3.960 0.000 0.000 0.329 510 G HA3 -0.381 3.579 3.960 0.000 0.000 0.329 510 G C 0.801 175.713 174.900 0.020 0.000 1.271 510 G CA 0.904 46.059 45.100 0.092 0.000 1.003 510 G HN 0.708 nan 8.290 nan 0.000 0.549 511 K N 0.614 121.018 120.400 0.007 0.000 2.439 511 K HA 0.196 4.516 4.320 0.000 0.000 0.197 511 K C 2.427 178.977 176.600 -0.083 0.000 1.041 511 K CA 1.073 57.340 56.287 -0.034 0.000 0.970 511 K CB 0.007 32.502 32.500 -0.008 0.000 0.773 511 K HN 0.221 nan 8.250 nan 0.000 0.479 512 S N 0.581 116.260 115.700 -0.035 0.000 2.556 512 S HA 0.022 4.492 4.470 0.000 0.000 0.216 512 S C 0.343 174.941 174.600 -0.005 0.000 0.970 512 S CA -0.305 57.898 58.200 0.004 0.000 0.912 512 S CB 0.242 63.491 63.200 0.083 0.000 0.790 512 S HN 0.321 nan 8.310 nan 0.000 0.504 513 S N 1.742 117.390 115.700 -0.086 0.000 2.610 513 S HA 0.479 4.949 4.470 0.000 0.000 0.273 513 S C -0.541 173.896 174.600 -0.270 0.000 1.274 513 S CA -0.555 57.629 58.200 -0.027 0.000 1.023 513 S CB 0.784 63.987 63.200 0.004 0.000 0.962 513 S HN 0.391 nan 8.310 nan 0.000 0.523 514 H N 0.259 119.343 119.070 0.023 0.000 2.894 514 H HA 0.608 5.164 4.556 0.000 0.000 0.368 514 H C -1.363 173.853 175.328 -0.187 0.000 1.181 514 H CA -0.775 55.193 56.048 -0.133 0.000 1.146 514 H CB 1.817 31.475 29.762 -0.173 0.000 1.839 514 H HN 0.533 nan 8.280 nan 0.000 0.557 515 L N 1.768 122.804 121.223 -0.311 0.000 2.362 515 L HA 0.484 4.824 4.340 0.000 0.000 0.275 515 L C -1.788 174.776 176.870 -0.510 0.000 0.998 515 L CA -0.332 54.369 54.840 -0.231 0.000 0.820 515 L CB 0.887 42.867 42.059 -0.130 0.000 1.270 515 L HN 0.377 nan 8.230 nan 0.000 0.415 516 F N 3.352 123.314 119.950 0.020 0.000 2.565 516 F HA 0.809 5.336 4.527 0.000 0.000 0.313 516 F C 0.284 176.145 175.800 0.101 0.000 1.091 516 F CA -0.632 57.376 58.000 0.014 0.000 0.915 516 F CB 2.013 41.003 39.000 -0.016 0.000 1.208 516 F HN 0.609 nan 8.300 nan 0.000 0.453 517 A N 2.938 125.931 122.820 0.288 0.000 2.304 517 A HA 0.852 5.172 4.320 0.000 0.000 0.301 517 A C -1.181 176.607 177.584 0.341 0.000 1.132 517 A CA -0.363 51.862 52.037 0.314 0.000 0.819 517 A CB 0.457 19.585 19.000 0.213 0.000 1.094 517 A HN 0.794 nan 8.150 nan 0.000 0.492 518 F N 0.456 120.448 119.950 0.070 0.000 2.662 518 F HA 0.782 5.309 4.527 0.000 0.000 0.312 518 F C -1.217 174.483 175.800 -0.167 0.000 1.113 518 F CA -1.100 56.810 58.000 -0.149 0.000 0.951 518 F CB 1.804 40.529 39.000 -0.457 0.000 1.344 518 F HN 0.476 nan 8.300 nan 0.000 0.462 519 N N 1.565 120.054 118.700 -0.352 0.000 2.572 519 N HA 0.299 5.039 4.740 0.000 0.000 0.287 519 N C -1.850 173.640 175.510 -0.033 0.000 1.136 519 N CA -0.606 52.245 53.050 -0.332 0.000 0.900 519 N CB 0.775 39.174 38.487 -0.146 0.000 1.484 519 N HN 0.807 nan 8.380 nan 0.000 0.526 520 Y N 0.882 121.187 120.300 0.008 0.000 2.584 520 Y HA 0.384 4.934 4.550 0.000 0.000 0.254 520 Y C 1.587 177.410 175.900 -0.129 0.000 1.177 520 Y CA -0.928 57.161 58.100 -0.017 0.000 1.216 520 Y CB 1.071 39.547 38.460 0.026 0.000 1.172 520 Y HN 0.523 nan 8.280 nan 0.000 0.529 521 G N -0.742 108.064 108.800 0.009 0.000 2.599 521 G HA2 0.050 4.010 3.960 0.000 0.000 0.264 521 G HA3 0.050 4.010 3.960 0.000 0.000 0.264 521 G C -0.018 174.832 174.900 -0.083 0.000 1.200 521 G CA -0.237 44.821 45.100 -0.070 0.000 0.896 521 G HN 0.320 nan 8.290 nan 0.000 0.536 522 Y N -0.315 120.002 120.300 0.028 0.000 2.109 522 Y HA -0.080 4.470 4.550 0.000 0.000 0.285 522 Y C 1.970 177.866 175.900 -0.006 0.000 1.131 522 Y CA 0.877 58.986 58.100 0.015 0.000 1.121 522 Y CB 0.071 38.540 38.460 0.014 0.000 0.987 522 Y HN 0.216 nan 8.280 nan 0.000 0.495 523 Q N 1.288 121.173 119.800 0.141 0.000 2.352 523 Q HA 0.116 4.456 4.340 0.000 0.000 0.260 523 Q C 0.109 176.091 176.000 -0.030 0.000 0.976 523 Q CA -0.108 55.716 55.803 0.035 0.000 0.881 523 Q CB 1.127 29.861 28.738 -0.005 0.000 1.235 523 Q HN 0.254 nan 8.270 nan 0.000 0.419 524 S N 0.056 115.729 115.700 -0.045 0.000 2.565 524 S HA 0.538 5.008 4.470 0.000 0.000 0.274 524 S C 0.331 174.839 174.600 -0.154 0.000 1.309 524 S CA -0.831 57.323 58.200 -0.077 0.000 1.043 524 S CB 0.999 64.175 63.200 -0.040 0.000 0.939 524 S HN 0.452 nan 8.310 nan 0.000 0.504 525 V N -0.796 118.990 119.914 -0.213 0.000 2.881 525 V HA 0.690 4.810 4.120 0.000 0.000 0.316 525 V C -1.016 175.001 176.094 -0.128 0.000 1.070 525 V CA -1.060 61.062 62.300 -0.296 0.000 0.976 525 V CB 1.573 32.983 31.823 -0.688 0.000 1.038 525 V HN 0.834 nan 8.190 nan 0.000 0.446 526 D N 1.607 121.953 120.400 -0.090 0.000 2.181 526 D HA 0.532 5.172 4.640 0.000 0.000 0.248 526 D C -0.499 175.806 176.300 0.008 0.000 1.020 526 D CA -0.249 53.732 54.000 -0.033 0.000 0.891 526 D CB 2.122 42.895 40.800 -0.045 0.000 1.187 526 D HN 0.483 nan 8.370 nan 0.000 0.443 527 V N 3.216 123.109 119.914 -0.034 0.000 2.270 527 V HA 0.081 4.201 4.120 0.000 0.000 0.263 527 V C 1.707 177.729 176.094 -0.121 0.000 1.066 527 V CA -0.282 61.931 62.300 -0.145 0.000 0.857 527 V CB 0.433 32.165 31.823 -0.152 0.000 1.099 527 V HN 0.491 nan 8.190 nan 0.000 0.476 528 L N 2.330 123.487 121.223 -0.110 0.000 2.013 528 L HA -0.101 4.239 4.340 0.000 0.000 0.212 528 L C 1.012 177.834 176.870 -0.080 0.000 1.073 528 L CA 1.713 56.509 54.840 -0.073 0.000 0.753 528 L CB -0.063 41.965 42.059 -0.050 0.000 0.890 528 L HN 0.707 nan 8.230 nan 0.000 0.432 529 N N -1.199 117.434 118.700 -0.112 0.000 2.367 529 N HA 0.462 5.202 4.740 0.000 0.000 0.278 529 N C -1.852 173.575 175.510 -0.139 0.000 1.117 529 N CA -0.513 52.477 53.050 -0.100 0.000 0.867 529 N CB 1.761 40.214 38.487 -0.056 0.000 1.649 529 N HN -0.110 nan 8.380 nan 0.000 0.479 530 L N 2.718 123.859 121.223 -0.137 0.000 2.491 530 L HA 0.650 4.990 4.340 0.000 0.000 0.267 530 L C -1.772 174.985 176.870 -0.190 0.000 0.971 530 L CA -0.543 54.208 54.840 -0.149 0.000 0.857 530 L CB 1.291 43.259 42.059 -0.152 0.000 1.226 530 L HN 0.546 nan 8.230 nan 0.000 0.408 531 N N 4.259 122.815 118.700 -0.241 0.000 2.392 531 N HA 0.794 5.534 4.740 0.000 0.000 0.283 531 N C -0.983 174.175 175.510 -0.587 0.000 1.003 531 N CA -0.225 52.495 53.050 -0.551 0.000 0.892 531 N CB 2.232 40.241 38.487 -0.797 0.000 1.193 531 N HN 0.776 nan 8.380 nan 0.000 0.487 532 A N 3.029 125.489 122.820 -0.600 0.000 2.340 532 A HA 0.485 4.805 4.320 0.000 0.000 0.297 532 A C -1.008 176.372 177.584 -0.340 0.000 1.195 532 A CA -0.777 51.072 52.037 -0.314 0.000 0.769 532 A CB 0.820 19.721 19.000 -0.165 0.000 1.163 532 A HN 0.557 nan 8.150 nan 0.000 0.472 533 W N 2.105 123.389 121.300 -0.027 0.000 2.433 533 W HA 0.358 5.018 4.660 0.000 0.000 0.315 533 W C -0.054 176.435 176.519 -0.049 0.000 1.087 533 W CA -0.593 56.727 57.345 -0.041 0.000 1.205 533 W CB 1.952 31.376 29.460 -0.059 0.000 1.288 533 W HN 0.592 nan 8.180 nan 0.000 0.504 534 S N 3.750 119.540 115.700 0.151 0.000 2.531 534 S HA 0.228 4.698 4.470 0.000 0.000 0.279 534 S C 0.354 174.991 174.600 0.061 0.000 1.305 534 S CA -0.262 57.987 58.200 0.083 0.000 1.058 534 S CB 0.319 63.550 63.200 0.052 0.000 0.899 534 S HN 0.173 nan 8.310 nan 0.000 0.493 535 M N 3.957 123.562 119.600 0.008 0.000 2.180 535 M HA 0.316 4.796 4.480 0.000 0.000 0.350 535 M C -0.087 176.189 176.300 -0.039 0.000 1.125 535 M CA -0.671 54.558 55.300 -0.118 0.000 1.031 535 M CB 0.937 33.317 32.600 -0.367 0.000 1.623 535 M HN 0.470 nan 8.290 nan 0.000 0.451 536 N N 1.122 119.786 118.700 -0.060 0.000 2.482 536 N HA 0.211 4.951 4.740 0.000 0.000 0.260 536 N C -0.378 175.165 175.510 0.055 0.000 1.236 536 N CA 0.034 53.086 53.050 0.004 0.000 0.938 536 N CB 0.713 39.191 38.487 -0.016 0.000 1.128 536 N HN 0.468 nan 8.380 nan 0.000 0.448 537 S N 0.349 116.111 115.700 0.103 0.000 2.565 537 S HA 0.422 4.892 4.470 0.000 0.000 0.276 537 S C 0.387 175.049 174.600 0.103 0.000 1.326 537 S CA -0.829 57.462 58.200 0.151 0.000 1.045 537 S CB 0.862 64.129 63.200 0.112 0.000 0.918 537 S HN 0.646 nan 8.310 nan 0.000 0.505 538 A N 2.022 124.927 122.820 0.143 0.000 2.287 538 A HA 0.528 4.848 4.320 0.000 0.000 0.273 538 A C 0.074 177.699 177.584 0.068 0.000 1.091 538 A CA -0.472 51.625 52.037 0.100 0.000 0.817 538 A CB 0.256 19.348 19.000 0.154 0.000 1.069 538 A HN 0.624 nan 8.150 nan 0.000 0.492 539 Q N 0.501 120.328 119.800 0.044 0.000 2.322 539 Q HA 0.597 4.937 4.340 0.000 0.000 0.256 539 Q C -1.421 174.616 176.000 0.061 0.000 0.960 539 Q CA 0.505 56.322 55.803 0.024 0.000 0.934 539 Q CB 0.122 28.859 28.738 -0.003 0.000 1.200 539 Q HN 0.491 nan 8.270 nan 0.000 0.435 540 I N 3.262 123.851 120.570 0.032 0.000 2.468 540 I HA 0.255 4.425 4.170 0.000 0.000 0.285 540 I C -0.060 175.999 176.117 -0.098 0.000 1.039 540 I CA -0.766 60.562 61.300 0.046 0.000 1.074 540 I CB 1.809 39.811 38.000 0.003 0.000 1.228 540 I HN 0.834 nan 8.210 nan 0.000 0.436 541 S N 0.000 115.661 115.700 -0.066 0.000 2.498 541 S HA 0.000 4.470 4.470 0.000 0.000 0.327 541 S CA 0.000 58.105 58.200 -0.159 0.000 1.107 541 S CB 0.000 63.032 63.200 -0.280 0.000 0.593 541 S HN 0.000 nan 8.310 nan 0.000 0.517