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 2zwp_1_B DATA FIRST_RESID 2 DATA SEQUENCE EQNTIRVIVS VDKAKFNPHE VLGIGGHIVY QFKLIPAVVV DVPANAVGKL DATA SEQUENCE KKMPGVEKVE FDHQAVLLGK PSWLXXXXXQ PAQTIPWGIE RVKAPSVWSI DATA SEQUENCE TDGSVSVIQV AVLDTGVDYD HPDLAANIAW cVSTLRGKVS TKLRDcADQN DATA SEQUENCE GHGTHVIGTI AALNNDIGVV GVAPGVQIYS VRVLDARGSG SYSDIAIGIE DATA SEQUENCE QAILGPDGVA DXXXXXXXXX DPDADAAEVI SMSLGGPADD SYLYDMIIQA DATA SEQUENCE YNAGIVIVAA SGNEGAPSPS YPAAYPEVIA VGAIDSNDNI ASFSNRQPEV DATA SEQUENCE SAPGVDILST YPDDSYETLM GTAMATPHVS GVVALIQAAY YQKYGKILPV DATA SEQUENCE GTFDDISKNT VRGILHITAD DLGPTGWDAD YGYGVVRAAL AVQAALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.595 176.600 -0.009 0.000 1.382 2 E CA 0.000 56.394 56.400 -0.011 0.000 0.976 2 E CB 0.000 29.690 29.700 -0.017 0.000 0.812 3 Q N 0.201 119.993 119.800 -0.013 0.000 2.451 3 Q HA 0.472 5.067 4.340 0.425 0.000 0.281 3 Q C -0.977 175.014 176.000 -0.015 0.000 1.099 3 Q CA -0.517 55.280 55.803 -0.010 0.000 0.806 3 Q CB 1.552 30.287 28.738 -0.005 0.000 1.419 3 Q HN 0.402 nan 8.270 nan 0.000 0.427 4 N N 0.631 119.324 118.700 -0.011 0.000 2.447 4 N HA 0.116 5.111 4.740 0.425 0.000 0.263 4 N C -0.825 174.678 175.510 -0.011 0.000 1.226 4 N CA 0.398 53.440 53.050 -0.013 0.000 0.906 4 N CB 0.496 38.977 38.487 -0.009 0.000 1.060 4 N HN 0.508 nan 8.380 nan 0.000 0.468 5 T N -0.044 114.499 114.554 -0.018 0.000 2.856 5 T HA 0.634 5.239 4.350 0.425 0.000 0.283 5 T C -0.174 174.523 174.700 -0.005 0.000 1.008 5 T CA -0.825 61.265 62.100 -0.016 0.000 0.997 5 T CB 1.146 69.990 68.868 -0.041 0.000 0.992 5 T HN 0.220 nan 8.240 nan 0.000 0.454 6 I N 1.688 122.268 120.570 0.017 0.000 2.509 6 I HA 0.507 4.932 4.170 0.425 0.000 0.293 6 I C 0.165 176.311 176.117 0.048 0.000 1.020 6 I CA -1.180 60.145 61.300 0.041 0.000 1.088 6 I CB 2.368 40.425 38.000 0.095 0.000 1.267 6 I HN 0.587 nan 8.210 nan 0.000 0.430 7 R N 4.811 125.338 120.500 0.045 0.000 2.265 7 R HA 0.718 5.312 4.340 0.425 0.000 0.319 7 R C -1.577 174.755 176.300 0.054 0.000 1.006 7 R CA -0.287 55.836 56.100 0.039 0.000 0.880 7 R CB 1.284 31.599 30.300 0.025 0.000 1.077 7 R HN 0.527 nan 8.270 nan 0.000 0.454 8 V N 5.724 125.650 119.914 0.021 0.000 3.040 8 V HA 0.509 4.884 4.120 0.425 0.000 0.312 8 V C -1.013 175.026 176.094 -0.091 0.000 1.115 8 V CA -0.914 61.372 62.300 -0.024 0.000 0.998 8 V CB 2.430 34.242 31.823 -0.019 0.000 1.042 8 V HN 0.644 nan 8.190 nan 0.000 0.433 9 I N 3.050 123.502 120.570 -0.197 0.000 2.418 9 I HA 0.504 4.929 4.170 0.425 0.000 0.287 9 I C -0.522 175.430 176.117 -0.274 0.000 1.008 9 I CA -0.397 60.713 61.300 -0.316 0.000 1.104 9 I CB 1.870 39.358 38.000 -0.853 0.000 1.264 9 I HN 0.190 nan 8.210 nan 0.000 0.438 10 V N 4.746 124.538 119.914 -0.204 0.000 2.357 10 V HA 0.411 4.786 4.120 0.425 0.000 0.284 10 V C 0.176 176.134 176.094 -0.226 0.000 1.018 10 V CA -0.510 61.658 62.300 -0.220 0.000 0.841 10 V CB 1.318 32.991 31.823 -0.250 0.000 0.991 10 V HN 0.744 nan 8.190 nan 0.000 0.437 11 S N 4.104 119.694 115.700 -0.183 0.000 2.513 11 S HA 0.652 5.377 4.470 0.425 0.000 0.276 11 S C -0.128 174.356 174.600 -0.193 0.000 1.254 11 S CA -0.473 57.644 58.200 -0.139 0.000 1.053 11 S CB 1.359 64.518 63.200 -0.067 0.000 0.958 11 S HN 0.889 nan 8.310 nan 0.000 0.491 12 V N 0.625 120.425 119.914 -0.191 0.000 2.925 12 V HA 0.548 4.923 4.120 0.425 0.000 0.311 12 V C -0.662 175.392 176.094 -0.068 0.000 1.104 12 V CA -1.209 60.962 62.300 -0.215 0.000 0.954 12 V CB 2.013 33.555 31.823 -0.469 0.000 1.022 12 V HN 0.643 nan 8.190 nan 0.000 0.427 13 D N 3.361 123.755 120.400 -0.011 0.000 2.357 13 D HA 0.029 4.924 4.640 0.425 0.000 0.265 13 D C 1.162 177.513 176.300 0.085 0.000 1.334 13 D CA 0.448 54.470 54.000 0.036 0.000 0.984 13 D CB 1.126 41.954 40.800 0.047 0.000 1.077 13 D HN 0.893 nan 8.370 nan 0.000 0.514 14 K N 3.130 123.573 120.400 0.071 0.000 2.360 14 K HA -0.129 4.446 4.320 0.425 0.000 0.201 14 K C 1.173 177.832 176.600 0.099 0.000 1.046 14 K CA 0.970 57.319 56.287 0.103 0.000 0.945 14 K CB 0.135 32.678 32.500 0.073 0.000 0.750 14 K HN 0.311 nan 8.250 nan 0.000 0.464 15 A N 0.750 123.615 122.820 0.075 0.000 2.178 15 A HA 0.018 4.593 4.320 0.425 0.000 0.211 15 A C 1.841 179.463 177.584 0.063 0.000 1.157 15 A CA 0.606 52.677 52.037 0.057 0.000 0.780 15 A CB -0.005 19.019 19.000 0.040 0.000 0.828 15 A HN 0.306 nan 8.150 nan 0.000 0.476 16 K N -2.195 118.262 120.400 0.094 0.000 2.387 16 K HA 0.221 4.796 4.320 0.425 0.000 0.197 16 K C -0.419 176.258 176.600 0.129 0.000 1.127 16 K CA -0.324 56.019 56.287 0.094 0.000 0.950 16 K CB 0.233 32.785 32.500 0.087 0.000 1.017 16 K HN 0.307 nan 8.250 nan 0.000 0.519 17 F N 2.627 122.583 119.950 0.010 0.000 2.427 17 F HA 0.222 5.007 4.527 0.430 0.000 0.352 17 F C -0.289 175.520 175.800 0.015 0.000 1.100 17 F CA -0.670 57.337 58.000 0.012 0.000 1.191 17 F CB 0.624 39.632 39.000 0.012 0.000 1.128 17 F HN -0.074 nan 8.300 nan 0.000 0.533 18 N N 7.611 125.876 118.700 -0.725 0.000 2.558 18 N HA 0.420 5.415 4.740 0.425 0.000 0.242 18 N C -2.391 172.636 175.510 -0.805 0.000 0.979 18 N CA -2.365 50.366 53.050 -0.532 0.000 0.931 18 N CB 1.572 39.905 38.487 -0.257 0.000 1.122 18 N HN 0.218 nan 8.380 nan 0.000 0.508 19 P HA -0.131 nan 4.420 nan 0.000 0.222 19 P C 0.796 178.016 177.300 -0.133 0.000 1.147 19 P CA 0.967 63.907 63.100 -0.266 0.000 0.790 19 P CB -0.021 31.698 31.700 0.031 0.000 0.780 20 H N 0.560 119.515 119.070 -0.193 0.000 2.545 20 H HA -0.084 4.727 4.556 0.425 0.000 0.282 20 H C 1.531 176.778 175.328 -0.134 0.000 1.020 20 H CA 1.022 56.990 56.048 -0.134 0.000 1.243 20 H CB 0.319 30.014 29.762 -0.111 0.000 1.377 20 H HN 0.309 nan 8.280 nan 0.000 0.581 21 E N 0.686 120.764 120.200 -0.203 0.000 2.474 21 E HA -0.043 4.562 4.350 0.425 0.000 0.194 21 E C 2.026 178.538 176.600 -0.146 0.000 1.041 21 E CA 0.574 56.861 56.400 -0.189 0.000 0.874 21 E CB -0.046 29.562 29.700 -0.154 0.000 0.914 21 E HN 0.283 nan 8.360 nan 0.000 0.498 22 V N -0.709 119.133 119.914 -0.120 0.000 2.453 22 V HA -0.156 4.219 4.120 0.425 0.000 0.247 22 V C 2.147 178.194 176.094 -0.078 0.000 1.048 22 V CA 0.785 63.066 62.300 -0.032 0.000 1.049 22 V CB -0.546 31.316 31.823 0.065 0.000 0.672 22 V HN 0.164 nan 8.190 nan 0.000 0.457 23 L N 2.183 123.298 121.223 -0.179 0.000 2.021 23 L HA -0.100 4.495 4.340 0.425 0.000 0.215 23 L C 2.690 179.459 176.870 -0.168 0.000 1.074 23 L CA 2.608 57.309 54.840 -0.230 0.000 0.760 23 L CB -1.256 40.551 42.059 -0.420 0.000 0.889 23 L HN 0.493 nan 8.230 nan 0.000 0.433 24 G N -0.796 107.897 108.800 -0.178 0.000 2.534 24 G HA2 -0.118 4.097 3.960 0.425 0.000 0.217 24 G HA3 -0.118 4.097 3.960 0.425 0.000 0.217 24 G C 1.269 176.136 174.900 -0.055 0.000 1.128 24 G CA 0.669 45.702 45.100 -0.113 0.000 0.784 24 G HN 0.602 nan 8.290 nan 0.000 0.542 25 I N -2.985 117.562 120.570 -0.038 0.000 3.855 25 I HA 0.517 4.942 4.170 0.425 0.000 0.327 25 I C 1.358 177.483 176.117 0.013 0.000 1.359 25 I CA 0.132 61.429 61.300 -0.006 0.000 1.142 25 I CB 0.038 38.044 38.000 0.008 0.000 1.041 25 I HN 0.062 nan 8.210 nan 0.000 0.403 26 G N 1.001 109.809 108.800 0.013 0.000 2.153 26 G HA2 -0.211 4.004 3.960 0.425 0.000 0.252 26 G HA3 -0.211 4.004 3.960 0.425 0.000 0.252 26 G C 0.467 175.446 174.900 0.132 0.000 0.994 26 G CA -0.045 45.090 45.100 0.058 0.000 0.698 26 G HN 0.878 nan 8.290 nan 0.000 0.521 27 G N -1.387 107.482 108.800 0.115 0.000 2.502 27 G HA2 0.640 4.855 3.960 0.425 0.000 0.305 27 G HA3 0.640 4.855 3.960 0.425 0.000 0.305 27 G C -0.888 174.163 174.900 0.252 0.000 1.190 27 G CA -0.652 44.563 45.100 0.191 0.000 0.933 27 G HN 0.418 nan 8.290 nan 0.000 0.503 28 H N -1.137 117.934 119.070 0.002 0.000 2.679 28 H HA 0.400 5.211 4.556 0.424 0.000 0.360 28 H C -0.405 174.932 175.328 0.015 0.000 1.105 28 H CA -0.616 55.434 56.048 0.003 0.000 1.196 28 H CB 1.827 31.591 29.762 0.004 0.000 1.636 28 H HN 0.282 nan 8.280 nan 0.000 0.531 29 I N 3.469 124.086 120.570 0.079 0.000 2.301 29 I HA 0.024 4.449 4.170 0.425 0.000 0.292 29 I C 0.686 176.839 176.117 0.060 0.000 1.046 29 I CA -0.066 61.270 61.300 0.060 0.000 1.282 29 I CB 0.931 38.948 38.000 0.028 0.000 1.409 29 I HN 0.470 nan 8.210 nan 0.000 0.484 30 V N 6.886 126.841 119.914 0.067 0.000 2.426 30 V HA -0.047 4.328 4.120 0.425 0.000 0.242 30 V C -0.201 175.949 176.094 0.093 0.000 1.036 30 V CA 0.755 63.100 62.300 0.076 0.000 1.044 30 V CB -0.293 31.572 31.823 0.070 0.000 0.688 30 V HN 0.672 nan 8.190 nan 0.000 0.462 31 Y N 0.243 120.477 120.300 -0.111 0.000 2.299 31 Y HA 0.385 5.190 4.550 0.425 0.000 0.318 31 Y C -0.747 174.988 175.900 -0.275 0.000 1.205 31 Y CA -0.880 57.093 58.100 -0.212 0.000 1.106 31 Y CB 1.141 39.409 38.460 -0.319 0.000 1.246 31 Y HN 0.139 nan 8.280 nan 0.000 0.415 32 Q N 6.186 125.660 119.800 -0.544 0.000 2.360 32 Q HA 0.306 4.901 4.340 0.425 0.000 0.254 32 Q C -1.009 174.769 176.000 -0.370 0.000 0.975 32 Q CA -0.697 54.927 55.803 -0.299 0.000 0.912 32 Q CB 1.271 29.906 28.738 -0.172 0.000 1.212 32 Q HN 0.577 nan 8.270 nan 0.000 0.452 33 F N 1.948 121.926 119.950 0.046 0.000 2.608 33 F HA -0.065 4.723 4.527 0.434 0.000 0.380 33 F C 1.534 177.371 175.800 0.061 0.000 1.083 33 F CA 0.557 58.655 58.000 0.162 0.000 1.266 33 F CB 0.529 39.636 39.000 0.179 0.000 1.076 33 F HN 0.441 nan 8.300 nan 0.000 0.574 34 K N 2.636 123.191 120.400 0.259 0.000 2.228 34 K HA 0.029 4.604 4.320 0.425 0.000 0.202 34 K C 1.162 177.853 176.600 0.151 0.000 1.051 34 K CA 0.994 57.371 56.287 0.150 0.000 0.960 34 K CB 0.075 32.638 32.500 0.106 0.000 0.743 34 K HN 0.601 nan 8.250 nan 0.000 0.458 35 L N 0.564 121.902 121.223 0.193 0.000 2.858 35 L HA 0.329 4.924 4.340 0.425 0.000 0.251 35 L C 0.311 177.222 176.870 0.070 0.000 1.149 35 L CA -0.345 54.564 54.840 0.115 0.000 0.955 35 L CB 0.282 42.407 42.059 0.111 0.000 1.289 35 L HN 0.069 nan 8.230 nan 0.000 0.542 36 I N -3.958 116.663 120.570 0.084 0.000 2.828 36 I HA 0.480 4.905 4.170 0.425 0.000 0.302 36 I C -2.568 173.590 176.117 0.068 0.000 1.101 36 I CA -2.308 58.997 61.300 0.008 0.000 1.031 36 I CB 1.996 39.919 38.000 -0.128 0.000 1.231 36 I HN -0.227 nan 8.210 nan 0.000 0.427 37 P HA 0.352 nan 4.420 nan 0.000 0.225 37 P C -0.656 176.653 177.300 0.015 0.000 1.813 37 P CA 0.206 63.328 63.100 0.036 0.000 1.013 37 P CB 0.040 31.745 31.700 0.008 0.000 1.961 38 A N 1.120 124.001 122.820 0.102 0.000 2.566 38 A HA 0.737 5.312 4.320 0.425 0.000 0.292 38 A C -1.498 176.269 177.584 0.305 0.000 1.112 38 A CA -0.816 51.282 52.037 0.102 0.000 0.707 38 A CB 2.236 21.228 19.000 -0.013 0.000 1.302 38 A HN 0.175 nan 8.150 nan 0.000 0.409 39 V N 1.338 121.348 119.914 0.160 0.000 2.668 39 V HA 0.492 4.867 4.120 0.425 0.000 0.304 39 V C -1.064 175.072 176.094 0.070 0.000 1.071 39 V CA -0.469 61.902 62.300 0.120 0.000 0.894 39 V CB 1.925 33.784 31.823 0.060 0.000 1.008 39 V HN 0.897 nan 8.190 nan 0.000 0.425 40 V N 7.507 127.457 119.914 0.060 0.000 2.427 40 V HA 0.415 4.790 4.120 0.425 0.000 0.268 40 V C 0.230 176.344 176.094 0.033 0.000 1.046 40 V CA 0.037 62.354 62.300 0.028 0.000 0.970 40 V CB 1.019 32.855 31.823 0.021 0.000 1.001 40 V HN 0.831 nan 8.190 nan 0.000 0.476 41 V N 1.763 121.692 119.914 0.025 0.000 2.769 41 V HA 0.688 5.063 4.120 0.425 0.000 0.312 41 V C -0.654 175.469 176.094 0.049 0.000 1.061 41 V CA -0.791 61.540 62.300 0.053 0.000 0.931 41 V CB 2.302 34.167 31.823 0.071 0.000 1.010 41 V HN 0.677 nan 8.190 nan 0.000 0.433 42 D N 3.602 124.041 120.400 0.066 0.000 2.249 42 D HA 0.582 5.477 4.640 0.425 0.000 0.246 42 D C -0.045 176.285 176.300 0.051 0.000 1.114 42 D CA 0.205 54.226 54.000 0.036 0.000 0.854 42 D CB 1.846 42.638 40.800 -0.013 0.000 1.132 42 D HN 0.902 nan 8.370 nan 0.000 0.461 43 V N 0.111 120.047 119.914 0.038 0.000 2.914 43 V HA 0.631 5.006 4.120 0.425 0.000 0.314 43 V C -2.814 173.296 176.094 0.027 0.000 1.084 43 V CA -2.759 59.568 62.300 0.044 0.000 0.963 43 V CB 1.936 33.789 31.823 0.050 0.000 1.025 43 V HN 0.177 nan 8.190 nan 0.000 0.432 44 P HA 0.209 nan 4.420 nan 0.000 0.265 44 P C 0.756 178.073 177.300 0.029 0.000 1.193 44 P CA 0.586 63.697 63.100 0.018 0.000 0.765 44 P CB 0.985 32.696 31.700 0.019 0.000 0.823 45 A N 4.382 127.218 122.820 0.026 0.000 1.978 45 A HA -0.212 4.363 4.320 0.425 0.000 0.220 45 A C 1.565 179.173 177.584 0.041 0.000 1.170 45 A CA 1.650 53.710 52.037 0.039 0.000 0.636 45 A CB -1.072 17.942 19.000 0.023 0.000 0.810 45 A HN 0.679 nan 8.150 nan 0.000 0.448 46 N N 0.098 118.815 118.700 0.028 0.000 2.521 46 N HA 0.152 5.147 4.740 0.425 0.000 0.188 46 N C 0.889 176.415 175.510 0.027 0.000 1.146 46 N CA 1.005 54.070 53.050 0.026 0.000 0.893 46 N CB -0.101 38.396 38.487 0.017 0.000 0.975 46 N HN 0.415 nan 8.380 nan 0.000 0.451 47 A N -0.112 122.726 122.820 0.031 0.000 2.470 47 A HA 0.354 4.929 4.320 0.425 0.000 0.251 47 A C 1.704 179.307 177.584 0.032 0.000 1.245 47 A CA -0.347 51.708 52.037 0.029 0.000 0.932 47 A CB 0.135 19.152 19.000 0.028 0.000 1.037 47 A HN 0.077 nan 8.150 nan 0.000 0.522 48 V N -0.340 119.596 119.914 0.037 0.000 2.548 48 V HA -0.103 4.272 4.120 0.425 0.000 0.249 48 V C 2.670 178.777 176.094 0.021 0.000 1.055 48 V CA 2.162 64.481 62.300 0.033 0.000 1.065 48 V CB -0.610 31.247 31.823 0.056 0.000 0.681 48 V HN 0.576 nan 8.190 nan 0.000 0.462 49 G N -0.466 108.349 108.800 0.026 0.000 2.421 49 G HA2 -0.183 4.032 3.960 0.425 0.000 0.217 49 G HA3 -0.183 4.032 3.960 0.425 0.000 0.217 49 G C 1.656 176.568 174.900 0.020 0.000 1.143 49 G CA 0.459 45.571 45.100 0.020 0.000 0.784 49 G HN 0.435 nan 8.290 nan 0.000 0.541 50 K N -0.273 120.141 120.400 0.023 0.000 2.057 50 K HA 0.125 4.700 4.320 0.425 0.000 0.207 50 K C 2.345 178.965 176.600 0.033 0.000 1.049 50 K CA 0.547 56.848 56.287 0.024 0.000 0.931 50 K CB -0.268 32.245 32.500 0.022 0.000 0.714 50 K HN 0.220 nan 8.250 nan 0.000 0.440 51 L N 1.216 122.461 121.223 0.036 0.000 2.093 51 L HA -0.197 4.398 4.340 0.425 0.000 0.208 51 L C 1.709 178.609 176.870 0.050 0.000 1.085 51 L CA 1.539 56.412 54.840 0.054 0.000 0.755 51 L CB -0.077 42.005 42.059 0.039 0.000 0.904 51 L HN 0.156 nan 8.230 nan 0.000 0.435 52 K N -0.488 119.925 120.400 0.021 0.000 2.439 52 K HA -0.135 4.440 4.320 0.425 0.000 0.197 52 K C 1.445 178.058 176.600 0.022 0.000 1.041 52 K CA 0.690 56.980 56.287 0.006 0.000 0.970 52 K CB 0.175 32.669 32.500 -0.010 0.000 0.773 52 K HN 0.154 nan 8.250 nan 0.000 0.479 53 K N -0.121 120.299 120.400 0.034 0.000 2.374 53 K HA 0.231 4.806 4.320 0.425 0.000 0.202 53 K C 0.053 176.682 176.600 0.049 0.000 1.040 53 K CA -0.204 56.103 56.287 0.034 0.000 1.085 53 K CB 0.495 33.010 32.500 0.025 0.000 0.873 53 K HN 0.003 nan 8.250 nan 0.000 0.539 54 M N 2.097 121.743 119.600 0.076 0.000 2.249 54 M HA 0.074 4.808 4.480 0.425 0.000 0.340 54 M C -2.170 174.203 176.300 0.123 0.000 1.166 54 M CA -1.665 53.696 55.300 0.101 0.000 1.115 54 M CB 0.342 33.044 32.600 0.171 0.000 1.606 54 M HN -0.208 nan 8.290 nan 0.000 0.448 55 P HA 0.052 nan 4.420 nan 0.000 0.264 55 P C 0.521 177.949 177.300 0.213 0.000 1.193 55 P CA 0.833 63.995 63.100 0.103 0.000 0.763 55 P CB 0.471 32.200 31.700 0.049 0.000 0.810 56 G N 1.507 110.416 108.800 0.181 0.000 2.258 56 G HA2 -0.224 3.991 3.960 0.425 0.000 0.233 56 G HA3 -0.224 3.991 3.960 0.425 0.000 0.233 56 G C 0.055 175.017 174.900 0.104 0.000 1.006 56 G CA -0.154 45.074 45.100 0.214 0.000 0.620 56 G HN 0.526 nan 8.290 nan 0.000 0.511 57 V N 2.095 122.067 119.914 0.095 0.000 2.446 57 V HA 0.270 4.645 4.120 0.425 0.000 0.276 57 V C 1.322 177.392 176.094 -0.039 0.000 1.030 57 V CA 0.964 63.237 62.300 -0.044 0.000 1.033 57 V CB 1.179 32.998 31.823 -0.008 0.000 0.993 57 V HN 0.508 nan 8.190 nan 0.000 0.477 58 E N 3.220 123.375 120.200 -0.075 0.000 2.251 58 E HA 0.127 4.732 4.350 0.425 0.000 0.194 58 E C 0.460 177.030 176.600 -0.050 0.000 0.964 58 E CA 0.230 56.601 56.400 -0.047 0.000 0.868 58 E CB 0.622 30.297 29.700 -0.042 0.000 0.828 58 E HN 0.549 nan 8.360 nan 0.000 0.481 59 K N 0.509 120.863 120.400 -0.077 0.000 2.579 59 K HA 0.206 4.781 4.320 0.425 0.000 0.257 59 K C -1.920 174.609 176.600 -0.117 0.000 0.950 59 K CA -0.212 56.030 56.287 -0.076 0.000 0.862 59 K CB 2.061 34.535 32.500 -0.044 0.000 1.317 59 K HN -0.185 nan 8.250 nan 0.000 0.436 60 V N 4.059 123.885 119.914 -0.147 0.000 2.350 60 V HA 0.422 4.797 4.120 0.425 0.000 0.276 60 V C -0.429 175.486 176.094 -0.299 0.000 1.028 60 V CA -0.446 61.726 62.300 -0.213 0.000 0.860 60 V CB 1.284 32.973 31.823 -0.223 0.000 0.990 60 V HN 0.750 nan 8.190 nan 0.000 0.453 61 E N 3.486 123.527 120.200 -0.265 0.000 2.227 61 E HA 0.564 5.169 4.350 0.425 0.000 0.268 61 E C -1.075 175.350 176.600 -0.290 0.000 0.907 61 E CA -0.612 55.640 56.400 -0.247 0.000 0.786 61 E CB 2.311 32.043 29.700 0.052 0.000 1.191 61 E HN 0.507 nan 8.360 nan 0.000 0.411 62 F N 0.668 120.558 119.950 -0.099 0.000 2.378 62 F HA 0.135 4.914 4.527 0.420 0.000 0.319 62 F C 0.868 176.441 175.800 -0.377 0.000 1.155 62 F CA -0.481 57.381 58.000 -0.229 0.000 1.157 62 F CB 0.703 39.545 39.000 -0.262 0.000 1.252 62 F HN 0.307 nan 8.300 nan 0.000 0.550 63 D N 0.786 121.142 120.400 -0.074 0.000 2.274 63 D HA 0.155 5.050 4.640 0.425 0.000 0.239 63 D C -0.400 175.741 176.300 -0.266 0.000 1.104 63 D CA -0.164 53.788 54.000 -0.081 0.000 0.840 63 D CB 0.263 41.080 40.800 0.030 0.000 1.100 63 D HN 0.305 nan 8.370 nan 0.000 0.477 64 H N 1.537 120.559 119.070 -0.080 0.000 2.517 64 H HA 0.306 5.119 4.556 0.428 0.000 0.346 64 H C -0.182 174.941 175.328 -0.342 0.000 1.222 64 H CA -0.449 55.357 56.048 -0.403 0.000 1.314 64 H CB 1.088 30.312 29.762 -0.897 0.000 1.609 64 H HN 0.402 nan 8.280 nan 0.000 0.571 65 Q N 0.535 120.248 119.800 -0.144 0.000 2.293 65 Q HA 0.597 5.192 4.340 0.425 0.000 0.261 65 Q C -1.395 174.669 176.000 0.106 0.000 0.960 65 Q CA -0.940 54.870 55.803 0.011 0.000 0.882 65 Q CB 1.364 30.111 28.738 0.015 0.000 1.275 65 Q HN 0.740 nan 8.270 nan 0.000 0.445 66 A N 3.072 126.059 122.820 0.278 0.000 2.322 66 A HA 0.835 5.410 4.320 0.425 0.000 0.327 66 A C -1.310 176.351 177.584 0.129 0.000 1.134 66 A CA -0.568 51.642 52.037 0.289 0.000 0.831 66 A CB 1.989 21.195 19.000 0.344 0.000 1.288 66 A HN 0.547 nan 8.150 nan 0.000 0.472 67 V N 1.584 121.546 119.914 0.081 0.000 2.888 67 V HA 0.394 4.769 4.120 0.425 0.000 0.309 67 V C -0.236 175.835 176.094 -0.038 0.000 1.114 67 V CA -0.725 61.581 62.300 0.011 0.000 0.940 67 V CB 1.971 33.800 31.823 0.011 0.000 1.021 67 V HN 1.062 nan 8.190 nan 0.000 0.426 68 L N 3.941 125.082 121.223 -0.137 0.000 2.499 68 L HA 0.379 4.974 4.340 0.425 0.000 0.281 68 L C -0.315 176.448 176.870 -0.179 0.000 1.234 68 L CA 0.277 54.929 54.840 -0.312 0.000 0.839 68 L CB 0.276 41.878 42.059 -0.762 0.000 1.104 68 L HN 0.668 nan 8.230 nan 0.000 0.500 69 L N 3.368 124.557 121.223 -0.058 0.000 3.267 69 L HA 0.483 5.078 4.340 0.425 0.000 0.289 69 L C 0.509 177.421 176.870 0.069 0.000 1.260 69 L CA -0.112 54.739 54.840 0.018 0.000 1.034 69 L CB 0.572 42.658 42.059 0.045 0.000 1.413 69 L HN 0.926 nan 8.230 nan 0.000 0.594 70 G N 0.518 109.455 108.800 0.227 0.000 2.605 70 G HA2 0.741 4.956 3.960 0.425 0.000 0.296 70 G HA3 0.741 4.956 3.960 0.425 0.000 0.296 70 G C -1.406 173.537 174.900 0.071 0.000 1.304 70 G CA -0.402 44.762 45.100 0.107 0.000 0.941 70 G HN 0.083 nan 8.290 nan 0.000 0.475 71 K N -0.240 120.147 120.400 -0.022 0.000 2.555 71 K HA 0.588 5.163 4.320 0.425 0.000 0.279 71 K C -3.175 173.407 176.600 -0.029 0.000 0.986 71 K CA -1.874 54.401 56.287 -0.020 0.000 0.880 71 K CB 1.873 34.340 32.500 -0.055 0.000 1.474 71 K HN 0.222 nan 8.250 nan 0.000 0.433 72 P HA -0.083 nan 4.420 nan 0.000 0.266 72 P C -0.699 176.612 177.300 0.019 0.000 1.186 72 P CA 0.117 63.199 63.100 -0.031 0.000 0.767 72 P CB 0.641 32.324 31.700 -0.028 0.000 0.820 73 S N 1.584 117.308 115.700 0.040 0.000 2.621 73 S HA 0.210 4.935 4.470 0.425 0.000 0.302 73 S C 0.708 175.405 174.600 0.161 0.000 1.093 73 S CA -0.772 57.511 58.200 0.138 0.000 1.017 73 S CB 0.217 63.520 63.200 0.172 0.000 1.077 73 S HN 0.578 nan 8.310 nan 0.000 0.517 74 W N 3.239 124.565 121.300 0.042 0.000 2.278 74 W HA -0.212 4.703 4.660 0.424 0.000 0.339 74 W C -0.035 176.500 176.519 0.028 0.000 1.348 74 W CA 1.647 59.012 57.345 0.034 0.000 1.289 74 W CB -0.436 29.047 29.460 0.039 0.000 1.124 74 W HN 0.536 nan 8.180 nan 0.000 0.469 82 P HA 0.623 nan 4.420 nan 0.000 0.269 82 P C 0.342 177.625 177.300 -0.028 0.000 1.205 82 P CA 1.292 64.377 63.100 -0.024 0.000 0.885 82 P CB 1.172 32.866 31.700 -0.010 0.000 1.246 83 A N -0.326 122.472 122.820 -0.037 0.000 3.540 83 A HA 0.596 5.171 4.320 0.425 0.000 0.180 83 A C -0.756 176.798 177.584 -0.050 0.000 1.231 83 A CA -0.385 51.635 52.037 -0.028 0.000 0.873 83 A CB 0.179 19.172 19.000 -0.011 0.000 1.548 83 A HN 0.005 nan 8.150 nan 0.000 0.570 84 Q N 0.276 120.060 119.800 -0.027 0.000 2.290 84 Q HA 0.501 5.096 4.340 0.425 0.000 0.259 84 Q C -1.306 174.687 176.000 -0.011 0.000 0.941 84 Q CA -0.314 55.471 55.803 -0.029 0.000 0.912 84 Q CB 0.941 29.678 28.738 -0.001 0.000 1.244 84 Q HN 0.635 nan 8.270 nan 0.000 0.441 85 T N 4.948 119.485 114.554 -0.027 0.000 2.767 85 T HA 0.405 5.010 4.350 0.425 0.000 0.284 85 T C 0.241 174.967 174.700 0.043 0.000 0.973 85 T CA -0.529 61.576 62.100 0.009 0.000 0.996 85 T CB 0.485 69.348 68.868 -0.008 0.000 0.927 85 T HN 0.521 nan 8.240 nan 0.000 0.456 86 I N 5.350 125.967 120.570 0.078 0.000 2.329 86 I HA 0.199 4.624 4.170 0.425 0.000 0.295 86 I C -1.956 174.224 176.117 0.104 0.000 1.109 86 I CA -2.038 59.329 61.300 0.111 0.000 1.297 86 I CB 0.044 38.123 38.000 0.133 0.000 1.433 86 I HN 0.302 nan 8.210 nan 0.000 0.509 87 P HA -0.068 nan 4.420 nan 0.000 0.270 87 P C 0.978 178.333 177.300 0.091 0.000 1.223 87 P CA -0.297 62.858 63.100 0.093 0.000 0.785 87 P CB 0.361 32.079 31.700 0.030 0.000 0.923 88 W N 1.196 122.551 121.300 0.092 0.000 2.363 88 W HA -0.092 4.823 4.660 0.425 0.000 0.296 88 W C 1.303 177.872 176.519 0.084 0.000 1.212 88 W CA 1.434 58.823 57.345 0.074 0.000 1.260 88 W CB -2.139 27.355 29.460 0.056 0.000 1.131 88 W HN 0.399 nan 8.180 nan 0.000 0.530 89 G N 2.124 110.382 108.800 -0.904 0.000 2.422 89 G HA2 -0.210 4.005 3.960 0.425 0.000 0.218 89 G HA3 -0.210 4.005 3.960 0.425 0.000 0.218 89 G C 1.464 176.269 174.900 -0.158 0.000 1.146 89 G CA 1.391 46.006 45.100 -0.809 0.000 0.769 89 G HN 0.128 nan 8.290 nan 0.000 0.547 90 I N 1.311 121.869 120.570 -0.021 0.000 2.394 90 I HA -0.071 4.354 4.170 0.425 0.000 0.251 90 I C 2.518 178.650 176.117 0.025 0.000 1.136 90 I CA 0.812 62.156 61.300 0.074 0.000 1.425 90 I CB -1.009 37.069 38.000 0.129 0.000 1.079 90 I HN 0.340 nan 8.210 nan 0.000 0.425 91 E N 0.362 120.571 120.200 0.016 0.000 2.076 91 E HA -0.198 4.407 4.350 0.425 0.000 0.190 91 E C 2.218 178.830 176.600 0.020 0.000 0.979 91 E CA 0.484 56.887 56.400 0.005 0.000 0.807 91 E CB -0.180 29.548 29.700 0.047 0.000 0.761 91 E HN 0.182 nan 8.360 nan 0.000 0.454 92 R N 1.406 121.934 120.500 0.048 0.000 2.117 92 R HA -0.111 4.484 4.340 0.425 0.000 0.243 92 R C 2.003 178.313 176.300 0.016 0.000 1.143 92 R CA 0.978 57.119 56.100 0.068 0.000 0.968 92 R CB -0.846 29.510 30.300 0.093 0.000 0.863 92 R HN 0.036 nan 8.270 nan 0.000 0.444 93 V N 1.197 121.105 119.914 -0.011 0.000 3.461 93 V HA -0.011 4.364 4.120 0.425 0.000 0.267 93 V C -0.018 176.078 176.094 0.003 0.000 1.186 93 V CA 0.546 62.853 62.300 0.012 0.000 1.154 93 V CB -0.445 31.415 31.823 0.061 0.000 0.802 93 V HN 0.434 nan 8.190 nan 0.000 0.474 94 K N -0.881 119.502 120.400 -0.027 0.000 3.181 94 K HA -0.212 4.363 4.320 0.425 0.000 0.269 94 K C 0.668 177.191 176.600 -0.128 0.000 1.097 94 K CA 0.848 57.092 56.287 -0.071 0.000 0.783 94 K CB -2.158 30.316 32.500 -0.044 0.000 1.267 94 K HN 0.516 nan 8.250 nan 0.000 0.484 95 A N -0.434 122.274 122.820 -0.187 0.000 2.014 95 A HA 0.151 4.726 4.320 0.425 0.000 0.210 95 A C -0.750 176.303 177.584 -0.885 0.000 1.188 95 A CA 0.398 52.273 52.037 -0.270 0.000 0.731 95 A CB -0.217 18.791 19.000 0.013 0.000 0.858 95 A HN 0.250 nan 8.150 nan 0.000 0.464 96 P HA -0.131 nan 4.420 nan 0.000 0.219 96 P C 1.498 178.289 177.300 -0.848 0.000 1.146 96 P CA 1.864 64.018 63.100 -1.577 0.000 0.808 96 P CB -0.083 31.109 31.700 -0.847 0.000 0.779 97 S N -2.069 113.337 115.700 -0.491 0.000 2.522 97 S HA -0.015 4.710 4.470 0.425 0.000 0.227 97 S C 1.720 176.202 174.600 -0.198 0.000 0.986 97 S CA 0.464 58.510 58.200 -0.258 0.000 0.929 97 S CB -1.242 61.863 63.200 -0.159 0.000 0.769 97 S HN -0.023 nan 8.310 nan 0.000 0.529 98 V N -0.082 119.662 119.914 -0.282 0.000 2.878 98 V HA 0.036 4.411 4.120 0.425 0.000 0.250 98 V C 2.008 178.155 176.094 0.089 0.000 1.075 98 V CA 0.639 62.891 62.300 -0.079 0.000 1.096 98 V CB -0.822 30.984 31.823 -0.029 0.000 0.724 98 V HN 0.582 nan 8.190 nan 0.000 0.467 99 W N -0.053 121.251 121.300 0.007 0.000 2.392 99 W HA -0.067 4.847 4.660 0.423 0.000 0.279 99 W C 2.782 179.303 176.519 0.003 0.000 1.225 99 W CA 1.073 58.421 57.345 0.004 0.000 1.233 99 W CB -1.420 28.042 29.460 0.003 0.000 1.122 99 W HN 0.281 nan 8.180 nan 0.000 0.561 100 S N 0.092 115.909 115.700 0.195 0.000 2.402 100 S HA -0.088 4.637 4.470 0.425 0.000 0.229 100 S C 1.708 176.355 174.600 0.079 0.000 1.021 100 S CA 1.198 59.464 58.200 0.111 0.000 0.974 100 S CB -0.092 63.146 63.200 0.064 0.000 0.800 100 S HN 0.137 nan 8.310 nan 0.000 0.484 101 I N -0.577 120.039 120.570 0.078 0.000 2.260 101 I HA 0.114 4.539 4.170 0.425 0.000 0.237 101 I C 1.141 177.301 176.117 0.072 0.000 1.075 101 I CA 0.708 62.041 61.300 0.055 0.000 1.376 101 I CB -0.091 37.935 38.000 0.043 0.000 1.107 101 I HN 0.226 nan 8.210 nan 0.000 0.420 102 T N -0.170 114.451 114.554 0.112 0.000 2.894 102 T HA 0.198 4.803 4.350 0.425 0.000 0.309 102 T C -0.959 173.840 174.700 0.165 0.000 1.208 102 T CA -0.669 61.496 62.100 0.108 0.000 1.016 102 T CB 1.565 70.483 68.868 0.083 0.000 1.192 102 T HN 0.348 nan 8.240 nan 0.000 0.491 103 D N 0.972 121.420 120.400 0.080 0.000 2.369 103 D HA 0.317 5.212 4.640 0.425 0.000 0.211 103 D C 1.445 177.729 176.300 -0.027 0.000 1.077 103 D CA 0.751 54.744 54.000 -0.013 0.000 0.842 103 D CB 0.069 40.752 40.800 -0.196 0.000 0.947 103 D HN 1.085 nan 8.370 nan 0.000 0.509 104 G N 0.479 109.288 108.800 0.014 0.000 2.201 104 G HA2 -0.283 3.932 3.960 0.425 0.000 0.212 104 G HA3 -0.283 3.932 3.960 0.425 0.000 0.212 104 G C 0.769 175.654 174.900 -0.025 0.000 0.994 104 G CA 0.243 45.344 45.100 0.001 0.000 0.644 104 G HN 0.709 nan 8.290 nan 0.000 0.508 105 S N 0.136 115.818 115.700 -0.029 0.000 3.120 105 S HA 0.442 5.167 4.470 0.425 0.000 0.259 105 S C 0.771 175.359 174.600 -0.019 0.000 1.191 105 S CA 0.460 58.639 58.200 -0.035 0.000 1.257 105 S CB 0.334 63.511 63.200 -0.039 0.000 0.964 105 S HN 1.748 nan 8.310 nan 0.000 0.473 106 V N 2.146 122.049 119.914 -0.018 0.000 2.498 106 V HA 0.399 4.774 4.120 0.425 0.000 0.279 106 V C 1.273 177.328 176.094 -0.066 0.000 1.048 106 V CA 0.138 62.430 62.300 -0.013 0.000 0.967 106 V CB 0.971 32.814 31.823 0.033 0.000 0.988 106 V HN 0.687 nan 8.190 nan 0.000 0.473 107 S N 4.421 120.091 115.700 -0.051 0.000 2.469 107 S HA -0.097 4.628 4.470 0.425 0.000 0.238 107 S C 1.302 175.839 174.600 -0.105 0.000 0.998 107 S CA 1.521 59.685 58.200 -0.060 0.000 0.957 107 S CB 0.008 63.192 63.200 -0.026 0.000 0.764 107 S HN 0.752 nan 8.310 nan 0.000 0.514 108 V N 1.095 120.894 119.914 -0.190 0.000 3.354 108 V HA 0.296 4.671 4.120 0.425 0.000 0.258 108 V C 0.652 176.608 176.094 -0.231 0.000 1.159 108 V CA 0.281 62.429 62.300 -0.252 0.000 1.125 108 V CB -0.140 31.401 31.823 -0.471 0.000 0.774 108 V HN 0.484 nan 8.190 nan 0.000 0.464 109 I N 1.150 121.591 120.570 -0.215 0.000 2.428 109 I HA 0.436 4.861 4.170 0.425 0.000 0.289 109 I C -0.306 175.703 176.117 -0.181 0.000 1.019 109 I CA 0.130 61.328 61.300 -0.169 0.000 1.351 109 I CB 1.083 39.006 38.000 -0.128 0.000 1.412 109 I HN 0.273 nan 8.210 nan 0.000 0.513 110 Q N 4.045 123.716 119.800 -0.214 0.000 2.345 110 Q HA 0.554 5.149 4.340 0.425 0.000 0.275 110 Q C -1.192 174.643 176.000 -0.274 0.000 1.063 110 Q CA -0.514 55.057 55.803 -0.386 0.000 0.819 110 Q CB 3.159 31.432 28.738 -0.774 0.000 1.356 110 Q HN 0.385 nan 8.270 nan 0.000 0.418 111 V N 1.271 121.031 119.914 -0.257 0.000 2.409 111 V HA 0.840 5.215 4.120 0.425 0.000 0.291 111 V C -0.716 175.350 176.094 -0.048 0.000 1.020 111 V CA -0.773 61.464 62.300 -0.106 0.000 0.848 111 V CB 1.553 33.339 31.823 -0.061 0.000 0.990 111 V HN 0.851 nan 8.190 nan 0.000 0.430 112 A N 5.011 127.876 122.820 0.075 0.000 2.274 112 A HA 0.756 5.331 4.320 0.425 0.000 0.309 112 A C -0.562 177.088 177.584 0.110 0.000 1.226 112 A CA -0.413 51.732 52.037 0.180 0.000 0.853 112 A CB 1.005 20.172 19.000 0.278 0.000 1.146 112 A HN 0.677 nan 8.150 nan 0.000 0.518 113 V N 4.430 124.402 119.914 0.096 0.000 2.313 113 V HA 0.219 4.594 4.120 0.425 0.000 0.278 113 V C -0.743 175.388 176.094 0.062 0.000 1.017 113 V CA -0.229 62.112 62.300 0.068 0.000 0.823 113 V CB 0.867 32.717 31.823 0.044 0.000 1.010 113 V HN 0.712 nan 8.190 nan 0.000 0.443 114 L N 5.630 126.892 121.223 0.064 0.000 2.302 114 L HA 0.514 5.109 4.340 0.425 0.000 0.285 114 L C 0.339 177.245 176.870 0.060 0.000 1.090 114 L CA 0.920 55.790 54.840 0.049 0.000 0.866 114 L CB 0.053 42.143 42.059 0.052 0.000 1.244 114 L HN 0.672 nan 8.230 nan 0.000 0.435 115 D N -0.344 120.089 120.400 0.055 0.000 3.402 115 D HA 0.180 5.075 4.640 0.425 0.000 0.287 115 D C 0.686 177.019 176.300 0.056 0.000 1.365 115 D CA 0.315 54.367 54.000 0.087 0.000 1.012 115 D CB 1.720 42.602 40.800 0.136 0.000 1.325 115 D HN 0.320 nan 8.370 nan 0.000 0.627 116 T N -1.196 113.402 114.554 0.073 0.000 3.160 116 T HA 0.431 5.036 4.350 0.425 0.000 0.257 116 T C 0.938 175.646 174.700 0.013 0.000 1.147 116 T CA 0.858 62.978 62.100 0.033 0.000 1.064 116 T CB -0.095 68.795 68.868 0.037 0.000 0.949 116 T HN 0.763 nan 8.240 nan 0.000 0.526 117 G N -0.241 108.567 108.800 0.013 0.000 2.525 117 G HA2 0.174 4.389 3.960 0.425 0.000 0.685 117 G HA3 0.174 4.389 3.960 0.425 0.000 0.685 117 G C -1.241 173.666 174.900 0.012 0.000 1.290 117 G CA -0.489 44.614 45.100 0.006 0.000 0.915 117 G HN 0.929 nan 8.290 nan 0.000 0.548 118 V N -0.069 119.866 119.914 0.035 0.000 2.709 118 V HA 0.639 5.014 4.120 0.425 0.000 0.308 118 V C -0.578 175.531 176.094 0.024 0.000 1.062 118 V CA -0.249 62.068 62.300 0.028 0.000 0.901 118 V CB 1.890 33.744 31.823 0.052 0.000 1.003 118 V HN 1.060 nan 8.190 nan 0.000 0.425 119 D N 4.544 124.910 120.400 -0.057 0.000 2.385 119 D HA 0.042 4.937 4.640 0.425 0.000 0.260 119 D C 0.841 177.080 176.300 -0.103 0.000 1.326 119 D CA 0.323 54.242 54.000 -0.136 0.000 1.023 119 D CB 0.168 40.919 40.800 -0.082 0.000 1.083 119 D HN 0.647 nan 8.370 nan 0.000 0.517 120 Y N 0.691 120.997 120.300 0.010 0.000 2.457 120 Y HA 0.097 4.901 4.550 0.424 0.000 0.292 120 Y C 1.439 177.358 175.900 0.032 0.000 1.125 120 Y CA 0.072 58.183 58.100 0.018 0.000 1.254 120 Y CB -0.156 38.309 38.460 0.009 0.000 1.012 120 Y HN 0.112 nan 8.280 nan 0.000 0.555 121 D N -0.091 120.129 120.400 -0.300 0.000 2.269 121 D HA -0.107 4.788 4.640 0.425 0.000 0.208 121 D C 0.258 176.529 176.300 -0.049 0.000 0.963 121 D CA 0.680 54.586 54.000 -0.156 0.000 0.864 121 D CB -0.472 40.117 40.800 -0.353 0.000 0.936 121 D HN 0.561 nan 8.370 nan 0.000 0.505 122 H N -0.489 118.503 119.070 -0.129 0.000 3.001 122 H HA 0.013 4.825 4.556 0.426 0.000 0.334 122 H C -1.518 173.775 175.328 -0.058 0.000 1.034 122 H CA -1.107 54.872 56.048 -0.116 0.000 1.420 122 H CB 1.354 31.032 29.762 -0.140 0.000 1.405 122 H HN -0.099 nan 8.280 nan 0.000 0.593 123 P HA -0.136 nan 4.420 nan 0.000 0.216 123 P C 0.520 177.931 177.300 0.185 0.000 1.150 123 P CA 1.346 64.489 63.100 0.071 0.000 0.837 123 P CB 0.281 31.982 31.700 0.003 0.000 0.786 124 D N -2.050 118.589 120.400 0.398 0.000 2.325 124 D HA 0.127 5.022 4.640 0.425 0.000 0.225 124 D C 1.119 177.453 176.300 0.056 0.000 1.096 124 D CA 0.390 54.516 54.000 0.211 0.000 0.844 124 D CB -0.220 40.743 40.800 0.272 0.000 0.925 124 D HN 0.093 nan 8.370 nan 0.000 0.513 125 L N -1.602 119.660 121.223 0.066 0.000 3.066 125 L HA 0.334 4.929 4.340 0.425 0.000 0.272 125 L C 2.055 178.945 176.870 0.033 0.000 1.101 125 L CA 0.285 55.121 54.840 -0.006 0.000 1.022 125 L CB -0.082 41.934 42.059 -0.071 0.000 1.600 125 L HN -0.077 nan 8.230 nan 0.000 0.559 126 A N 1.016 123.879 122.820 0.071 0.000 1.908 126 A HA -0.139 4.436 4.320 0.425 0.000 0.218 126 A C 2.389 180.014 177.584 0.068 0.000 1.181 126 A CA 1.989 54.079 52.037 0.088 0.000 0.627 126 A CB -0.483 18.573 19.000 0.093 0.000 0.818 126 A HN 0.343 nan 8.150 nan 0.000 0.445 127 A N -0.172 122.674 122.820 0.043 0.000 2.019 127 A HA -0.152 4.423 4.320 0.425 0.000 0.219 127 A C 1.697 179.292 177.584 0.018 0.000 1.164 127 A CA 1.657 53.710 52.037 0.027 0.000 0.644 127 A CB -0.440 18.567 19.000 0.011 0.000 0.805 127 A HN 0.541 nan 8.150 nan 0.000 0.449 128 N N -0.101 118.606 118.700 0.011 0.000 2.280 128 N HA 0.104 5.099 4.740 0.425 0.000 0.192 128 N C -0.132 175.395 175.510 0.028 0.000 1.109 128 N CA 0.167 53.217 53.050 -0.002 0.000 0.855 128 N CB 0.253 38.720 38.487 -0.035 0.000 0.974 128 N HN 0.307 nan 8.380 nan 0.000 0.482 129 I N 1.390 121.997 120.570 0.063 0.000 2.347 129 I HA 0.132 4.557 4.170 0.425 0.000 0.294 129 I C 1.321 177.521 176.117 0.139 0.000 1.090 129 I CA -0.265 61.099 61.300 0.106 0.000 1.314 129 I CB 0.216 38.294 38.000 0.129 0.000 1.423 129 I HN -0.085 nan 8.210 nan 0.000 0.503 130 A N 6.189 129.128 122.820 0.198 0.000 1.956 130 A HA 0.043 4.618 4.320 0.425 0.000 0.212 130 A C 0.414 178.234 177.584 0.395 0.000 1.188 130 A CA 0.468 52.662 52.037 0.262 0.000 0.675 130 A CB 0.229 19.399 19.000 0.283 0.000 0.845 130 A HN 0.694 nan 8.150 nan 0.000 0.455 131 W N -1.637 119.781 121.300 0.197 0.000 3.259 131 W HA 0.536 5.450 4.660 0.423 0.000 0.331 131 W C -1.805 174.745 176.519 0.051 0.000 1.144 131 W CA -1.547 55.848 57.345 0.082 0.000 1.227 131 W CB 1.259 30.684 29.460 -0.058 0.000 1.371 131 W HN 0.022 nan 8.180 nan 0.000 0.491 132 c N 7.968 126.440 118.600 -0.214 0.000 2.344 132 c HA 0.837 5.662 4.570 0.425 0.000 0.326 132 c C -0.423 173.341 174.090 -0.543 0.000 1.201 132 c CA -0.266 55.874 56.329 -0.315 0.000 1.410 132 c CB -0.676 41.725 42.510 -0.182 0.000 2.070 132 c HN 0.445 nan 8.230 nan 0.000 0.445 133 V N 3.278 122.813 119.914 -0.632 0.000 3.141 133 V HA 0.910 5.285 4.120 0.425 0.000 0.312 133 V C -0.295 175.603 176.094 -0.327 0.000 1.157 133 V CA -0.542 61.413 62.300 -0.576 0.000 1.041 133 V CB 1.791 33.080 31.823 -0.891 0.000 1.071 133 V HN 0.716 nan 8.190 nan 0.000 0.441 134 S N -0.085 115.477 115.700 -0.230 0.000 2.571 134 S HA 0.627 5.352 4.470 0.425 0.000 0.284 134 S C 0.257 174.782 174.600 -0.125 0.000 1.128 134 S CA 0.269 58.383 58.200 -0.143 0.000 0.970 134 S CB 1.812 64.955 63.200 -0.096 0.000 1.039 134 S HN 1.401 nan 8.310 nan 0.000 0.485 135 T N 2.374 116.862 114.554 -0.110 0.000 3.174 135 T HA 0.381 4.986 4.350 0.425 0.000 0.269 135 T C 0.365 175.011 174.700 -0.089 0.000 1.017 135 T CA -0.274 61.755 62.100 -0.117 0.000 0.899 135 T CB -0.563 68.224 68.868 -0.136 0.000 1.077 135 T HN 0.490 nan 8.240 nan 0.000 0.552 136 L N 1.956 123.144 121.223 -0.058 0.000 2.499 136 L HA 0.329 4.924 4.340 0.425 0.000 0.273 136 L C 1.054 177.907 176.870 -0.028 0.000 1.195 136 L CA -0.169 54.651 54.840 -0.033 0.000 0.882 136 L CB 0.030 42.075 42.059 -0.023 0.000 1.133 136 L HN 0.394 nan 8.230 nan 0.000 0.483 137 R N 1.990 122.480 120.500 -0.016 0.000 3.951 137 R HA -0.203 4.392 4.340 0.425 0.000 0.352 137 R C 0.965 177.258 176.300 -0.011 0.000 1.178 137 R CA 0.512 56.608 56.100 -0.007 0.000 0.949 137 R CB -2.011 28.288 30.300 -0.002 0.000 1.452 137 R HN 1.132 nan 8.270 nan 0.000 0.540 138 G N 0.120 108.893 108.800 -0.045 0.000 2.136 138 G HA2 -0.335 3.880 3.960 0.425 0.000 0.242 138 G HA3 -0.335 3.880 3.960 0.425 0.000 0.242 138 G C -0.160 174.732 174.900 -0.013 0.000 0.989 138 G CA 0.550 45.605 45.100 -0.074 0.000 0.682 138 G HN 0.297 nan 8.290 nan 0.000 0.522 139 K N 0.646 121.037 120.400 -0.015 0.000 2.507 139 K HA 0.528 5.103 4.320 0.425 0.000 0.253 139 K C 0.304 176.903 176.600 -0.001 0.000 0.969 139 K CA -0.814 55.489 56.287 0.027 0.000 0.908 139 K CB 2.486 34.999 32.500 0.022 0.000 1.127 139 K HN 0.060 nan 8.250 nan 0.000 0.437 140 V N 2.431 122.364 119.914 0.032 0.000 2.493 140 V HA 0.042 4.417 4.120 0.425 0.000 0.292 140 V C 0.298 176.396 176.094 0.007 0.000 1.016 140 V CA 0.315 62.623 62.300 0.012 0.000 1.097 140 V CB 0.857 32.733 31.823 0.088 0.000 0.947 140 V HN 0.737 nan 8.190 nan 0.000 0.479 141 S N 3.199 118.877 115.700 -0.037 0.000 2.569 141 S HA 0.575 5.300 4.470 0.425 0.000 0.280 141 S C 0.133 174.685 174.600 -0.080 0.000 1.111 141 S CA -0.198 57.979 58.200 -0.038 0.000 0.887 141 S CB 2.342 65.521 63.200 -0.036 0.000 1.095 141 S HN 0.739 nan 8.310 nan 0.000 0.476 142 T N 2.204 116.725 114.554 -0.054 0.000 3.144 142 T HA 0.308 4.913 4.350 0.425 0.000 0.290 142 T C -0.455 174.202 174.700 -0.071 0.000 0.966 142 T CA -0.101 61.958 62.100 -0.068 0.000 0.907 142 T CB -0.080 68.808 68.868 0.033 0.000 1.152 142 T HN 0.500 nan 8.240 nan 0.000 0.532 143 K N 1.624 121.986 120.400 -0.063 0.000 2.322 143 K HA 0.325 4.900 4.320 0.425 0.000 0.283 143 K C 1.024 177.568 176.600 -0.093 0.000 1.042 143 K CA -0.318 55.931 56.287 -0.063 0.000 0.958 143 K CB 1.234 33.714 32.500 -0.034 0.000 0.984 143 K HN 0.165 nan 8.250 nan 0.000 0.473 144 L N 3.034 124.177 121.223 -0.134 0.000 2.197 144 L HA -0.284 4.311 4.340 0.425 0.000 0.215 144 L C 2.381 179.252 176.870 0.002 0.000 1.095 144 L CA 1.539 56.268 54.840 -0.186 0.000 0.764 144 L CB -0.615 41.252 42.059 -0.320 0.000 0.897 144 L HN 0.640 nan 8.230 nan 0.000 0.436 145 R N -0.439 120.067 120.500 0.009 0.000 2.090 145 R HA -0.097 4.498 4.340 0.425 0.000 0.228 145 R C 1.326 177.636 176.300 0.017 0.000 1.110 145 R CA 1.404 57.524 56.100 0.033 0.000 0.973 145 R CB -0.544 29.768 30.300 0.021 0.000 0.869 145 R HN 0.326 nan 8.270 nan 0.000 0.440 146 D N 1.124 121.518 120.400 -0.010 0.000 2.249 146 D HA -0.062 4.833 4.640 0.425 0.000 0.205 146 D C 1.991 178.273 176.300 -0.029 0.000 0.962 146 D CA 1.178 55.165 54.000 -0.021 0.000 0.860 146 D CB -0.007 40.773 40.800 -0.033 0.000 0.955 146 D HN 0.462 nan 8.370 nan 0.000 0.505 147 c N 0.613 119.192 118.600 -0.036 0.000 2.533 147 c HA 0.605 5.430 4.570 0.425 0.000 0.272 147 c C 1.396 175.507 174.090 0.036 0.000 1.371 147 c CA -0.440 55.862 56.329 -0.045 0.000 1.758 147 c CB -0.796 41.642 42.510 -0.120 0.000 1.972 147 c HN 0.109 nan 8.230 nan 0.000 0.522 148 A N 2.014 124.898 122.820 0.107 0.000 2.498 148 A HA 0.337 4.912 4.320 0.425 0.000 0.239 148 A C 0.053 177.664 177.584 0.046 0.000 1.068 148 A CA 0.265 52.397 52.037 0.158 0.000 0.766 148 A CB -0.037 19.077 19.000 0.191 0.000 1.003 148 A HN 0.601 nan 8.150 nan 0.000 0.497 149 D N 1.092 121.499 120.400 0.011 0.000 2.450 149 D HA 0.088 4.983 4.640 0.425 0.000 0.247 149 D C 0.759 177.027 176.300 -0.054 0.000 1.162 149 D CA 0.498 54.478 54.000 -0.034 0.000 0.879 149 D CB 0.648 41.403 40.800 -0.076 0.000 1.163 149 D HN 0.554 nan 8.370 nan 0.000 0.472 150 Q N 2.637 122.411 119.800 -0.043 0.000 2.189 150 Q HA 0.062 4.657 4.340 0.425 0.000 0.223 150 Q C 0.885 176.855 176.000 -0.050 0.000 0.828 150 Q CA -0.281 55.496 55.803 -0.043 0.000 0.967 150 Q CB 0.761 29.485 28.738 -0.023 0.000 1.139 150 Q HN 0.444 nan 8.270 nan 0.000 0.497 151 N N 0.365 119.030 118.700 -0.058 0.000 2.517 151 N HA -0.007 4.988 4.740 0.425 0.000 0.202 151 N C 1.161 176.589 175.510 -0.138 0.000 1.042 151 N CA 1.733 54.754 53.050 -0.049 0.000 0.952 151 N CB 1.087 39.568 38.487 -0.010 0.000 1.211 151 N HN 0.259 nan 8.380 nan 0.000 0.458 152 G N -0.100 108.579 108.800 -0.202 0.000 2.421 152 G HA2 -0.185 4.030 3.960 0.425 0.000 0.188 152 G HA3 -0.185 4.030 3.960 0.425 0.000 0.188 152 G C 0.855 175.622 174.900 -0.222 0.000 1.001 152 G CA 0.389 45.147 45.100 -0.570 0.000 0.693 152 G HN 0.550 nan 8.290 nan 0.000 0.479 153 H N 1.271 120.303 119.070 -0.062 0.000 2.353 153 H HA -0.050 4.760 4.556 0.424 0.000 0.300 153 H C 2.622 177.986 175.328 0.060 0.000 1.090 153 H CA 2.619 58.697 56.048 0.051 0.000 1.327 153 H CB -0.415 29.363 29.762 0.028 0.000 1.383 153 H HN 0.399 nan 8.280 nan 0.000 0.508 154 G N -0.398 108.473 108.800 0.119 0.000 2.404 154 G HA2 -0.231 3.984 3.960 0.425 0.000 0.215 154 G HA3 -0.231 3.984 3.960 0.425 0.000 0.215 154 G C 1.774 176.673 174.900 -0.002 0.000 1.174 154 G CA 1.214 46.351 45.100 0.061 0.000 0.780 154 G HN 0.420 nan 8.290 nan 0.000 0.537 155 T N -0.001 114.532 114.554 -0.035 0.000 2.759 155 T HA -0.176 4.429 4.350 0.425 0.000 0.269 155 T C 2.026 176.699 174.700 -0.046 0.000 1.042 155 T CA 1.435 63.491 62.100 -0.073 0.000 1.140 155 T CB -0.374 68.417 68.868 -0.129 0.000 0.864 155 T HN 0.449 nan 8.240 nan 0.000 0.455 156 H N 0.790 119.820 119.070 -0.068 0.000 2.333 156 H HA 0.039 4.850 4.556 0.424 0.000 0.302 156 H C 2.274 177.550 175.328 -0.087 0.000 1.075 156 H CA 1.204 57.242 56.048 -0.016 0.000 1.348 156 H CB -0.436 29.387 29.762 0.102 0.000 1.393 156 H HN 0.165 nan 8.280 nan 0.000 0.509 157 V N 1.511 121.447 119.914 0.036 0.000 2.324 157 V HA -0.272 4.103 4.120 0.425 0.000 0.250 157 V C 2.889 178.930 176.094 -0.087 0.000 1.060 157 V CA 1.939 64.213 62.300 -0.042 0.000 1.042 157 V CB -0.542 31.242 31.823 -0.065 0.000 0.650 157 V HN 0.353 nan 8.190 nan 0.000 0.450 158 I N 0.199 120.721 120.570 -0.080 0.000 2.286 158 I HA -0.098 4.327 4.170 0.425 0.000 0.245 158 I C 2.612 178.652 176.117 -0.129 0.000 1.104 158 I CA 1.448 62.698 61.300 -0.083 0.000 1.397 158 I CB -0.901 37.066 38.000 -0.055 0.000 1.072 158 I HN 0.399 nan 8.210 nan 0.000 0.417 159 G N 0.232 108.927 108.800 -0.174 0.000 2.469 159 G HA2 -0.259 3.956 3.960 0.425 0.000 0.220 159 G HA3 -0.259 3.956 3.960 0.425 0.000 0.220 159 G C 1.645 176.422 174.900 -0.205 0.000 1.136 159 G CA 1.577 46.555 45.100 -0.203 0.000 0.759 159 G HN 0.279 nan 8.290 nan 0.000 0.562 160 T N 1.012 115.412 114.554 -0.257 0.000 2.821 160 T HA 0.016 4.621 4.350 0.425 0.000 0.267 160 T C 2.374 176.928 174.700 -0.243 0.000 1.046 160 T CA 0.847 62.766 62.100 -0.303 0.000 1.139 160 T CB -0.091 68.542 68.868 -0.392 0.000 0.871 160 T HN 0.290 nan 8.240 nan 0.000 0.454 161 I N 0.476 120.942 120.570 -0.174 0.000 2.333 161 I HA 0.029 4.454 4.170 0.425 0.000 0.246 161 I C 2.054 178.109 176.117 -0.103 0.000 1.106 161 I CA 1.069 62.298 61.300 -0.117 0.000 1.411 161 I CB -0.055 37.899 38.000 -0.077 0.000 1.082 161 I HN 0.162 nan 8.210 nan 0.000 0.420 162 A N 0.198 122.949 122.820 -0.115 0.000 2.622 162 A HA 0.619 5.194 4.320 0.425 0.000 0.283 162 A C 0.638 178.148 177.584 -0.123 0.000 0.998 162 A CA -0.165 51.803 52.037 -0.115 0.000 0.985 162 A CB -0.194 18.752 19.000 -0.090 0.000 1.236 162 A HN 0.140 nan 8.150 nan 0.000 0.559 163 A N 0.787 123.530 122.820 -0.128 0.000 2.566 163 A HA 0.434 5.009 4.320 0.425 0.000 0.245 163 A C 0.499 178.009 177.584 -0.123 0.000 1.056 163 A CA 0.180 52.152 52.037 -0.108 0.000 0.757 163 A CB -0.436 18.515 19.000 -0.081 0.000 0.979 163 A HN 0.617 nan 8.150 nan 0.000 0.508 164 L N 1.764 122.931 121.223 -0.094 0.000 2.516 164 L HA -0.047 4.548 4.340 0.425 0.000 0.288 164 L C 0.973 177.753 176.870 -0.150 0.000 1.246 164 L CA 0.036 54.805 54.840 -0.118 0.000 0.844 164 L CB 0.114 42.139 42.059 -0.058 0.000 1.106 164 L HN 0.817 nan 8.230 nan 0.000 0.509 165 N N 2.339 120.910 118.700 -0.216 0.000 2.500 165 N HA 0.227 5.222 4.740 0.425 0.000 0.236 165 N C -0.954 174.497 175.510 -0.099 0.000 1.022 165 N CA -0.338 52.586 53.050 -0.210 0.000 0.935 165 N CB -0.013 38.244 38.487 -0.384 0.000 1.147 165 N HN 0.710 nan 8.380 nan 0.000 0.512 166 N N 0.885 119.557 118.700 -0.048 0.000 3.526 166 N HA 0.232 5.227 4.740 0.425 0.000 0.328 166 N C -0.822 174.689 175.510 0.001 0.000 1.601 166 N CA -0.492 52.547 53.050 -0.017 0.000 0.834 166 N CB 0.234 38.715 38.487 -0.010 0.000 1.983 166 N HN -0.012 nan 8.380 nan 0.000 0.579 167 D N -0.247 120.159 120.400 0.009 0.000 2.325 167 D HA 0.277 5.172 4.640 0.425 0.000 0.225 167 D C -0.018 176.287 176.300 0.008 0.000 1.096 167 D CA 0.337 54.343 54.000 0.011 0.000 0.844 167 D CB 0.056 40.863 40.800 0.012 0.000 0.925 167 D HN 0.549 nan 8.370 nan 0.000 0.513 168 I N -4.805 115.773 120.570 0.014 0.000 2.802 168 I HA 0.662 5.087 4.170 0.425 0.000 0.298 168 I C 0.700 176.822 176.117 0.009 0.000 1.176 168 I CA -0.758 60.552 61.300 0.016 0.000 1.025 168 I CB 2.406 40.445 38.000 0.066 0.000 1.243 168 I HN 0.005 nan 8.210 nan 0.000 0.424 169 G N 3.382 112.118 108.800 -0.108 0.000 2.523 169 G HA2 -0.111 4.104 3.960 0.425 0.000 0.271 169 G HA3 -0.111 4.104 3.960 0.425 0.000 0.271 169 G C -0.029 174.762 174.900 -0.182 0.000 1.146 169 G CA 0.695 45.643 45.100 -0.253 0.000 0.961 169 G HN 1.810 nan 8.290 nan 0.000 0.549 170 V N -2.874 117.043 119.914 0.004 0.000 3.344 170 V HA 0.964 5.339 4.120 0.425 0.000 0.301 170 V C 0.273 176.370 176.094 0.006 0.000 1.286 170 V CA 0.044 62.347 62.300 0.005 0.000 1.028 170 V CB 1.086 32.929 31.823 0.033 0.000 1.223 170 V HN 2.272 nan 8.190 nan 0.000 0.478 171 V N -0.663 119.252 119.914 0.000 0.000 2.969 171 V HA 0.836 5.211 4.120 0.425 0.000 0.304 171 V C 0.241 176.314 176.094 -0.035 0.000 1.192 171 V CA 0.483 62.756 62.300 -0.046 0.000 0.962 171 V CB 1.641 33.441 31.823 -0.037 0.000 1.045 171 V HN 1.524 nan 8.190 nan 0.000 0.428 172 G N 2.934 111.668 108.800 -0.110 0.000 2.580 172 G HA2 0.447 4.662 3.960 0.425 0.000 0.278 172 G HA3 0.447 4.662 3.960 0.425 0.000 0.278 172 G C 0.864 175.793 174.900 0.049 0.000 1.212 172 G CA 0.230 45.281 45.100 -0.083 0.000 0.939 172 G HN 0.906 nan 8.290 nan 0.000 0.513 173 V N 0.424 120.375 119.914 0.062 0.000 2.515 173 V HA 0.107 4.482 4.120 0.425 0.000 0.250 173 V C 1.770 178.022 176.094 0.263 0.000 1.058 173 V CA 2.028 64.454 62.300 0.210 0.000 1.064 173 V CB -0.407 31.472 31.823 0.094 0.000 0.675 173 V HN 0.834 nan 8.190 nan 0.000 0.461 174 A N 0.479 123.333 122.820 0.056 0.000 2.893 174 A HA 0.584 5.159 4.320 0.425 0.000 0.333 174 A C -1.968 175.518 177.584 -0.163 0.000 1.152 174 A CA -1.016 51.018 52.037 -0.005 0.000 0.782 174 A CB 0.560 19.572 19.000 0.020 0.000 1.108 174 A HN 0.249 nan 8.150 nan 0.000 0.469 175 P HA 0.064 nan 4.420 nan 0.000 0.247 175 P C 0.957 178.101 177.300 -0.260 0.000 1.225 175 P CA 1.287 64.163 63.100 -0.373 0.000 0.768 175 P CB 0.248 31.562 31.700 -0.644 0.000 1.020 176 G N -1.066 107.613 108.800 -0.200 0.000 3.342 176 G HA2 0.098 4.313 3.960 0.425 0.000 0.252 176 G HA3 0.098 4.313 3.960 0.425 0.000 0.252 176 G C -0.173 174.671 174.900 -0.093 0.000 1.011 176 G CA 0.103 45.123 45.100 -0.133 0.000 0.869 176 G HN 0.193 nan 8.290 nan 0.000 0.514 177 V N 1.446 121.305 119.914 -0.092 0.000 2.572 177 V HA 0.207 4.581 4.120 0.425 0.000 0.291 177 V C 0.167 176.207 176.094 -0.089 0.000 1.039 177 V CA -0.290 61.961 62.300 -0.082 0.000 1.055 177 V CB 1.122 32.903 31.823 -0.070 0.000 0.969 177 V HN 0.415 nan 8.190 nan 0.000 0.482 178 Q N 5.852 125.588 119.800 -0.108 0.000 2.289 178 Q HA 0.288 4.883 4.340 0.425 0.000 0.273 178 Q C -0.528 175.367 176.000 -0.175 0.000 1.029 178 Q CA 0.055 55.784 55.803 -0.123 0.000 0.896 178 Q CB 0.894 29.540 28.738 -0.153 0.000 1.182 178 Q HN 0.546 nan 8.270 nan 0.000 0.385 179 I N 3.133 123.649 120.570 -0.090 0.000 2.392 179 I HA 0.216 4.641 4.170 0.425 0.000 0.295 179 I C -0.651 175.532 176.117 0.110 0.000 0.985 179 I CA -0.691 60.584 61.300 -0.042 0.000 1.221 179 I CB 0.813 38.818 38.000 0.007 0.000 1.366 179 I HN 0.513 nan 8.210 nan 0.000 0.467 180 Y N 3.148 123.517 120.300 0.115 0.000 2.342 180 Y HA 0.245 5.049 4.550 0.423 0.000 0.338 180 Y C 0.730 176.653 175.900 0.040 0.000 0.965 180 Y CA -1.119 57.078 58.100 0.162 0.000 1.159 180 Y CB 1.609 40.244 38.460 0.292 0.000 1.157 180 Y HN 0.412 nan 8.280 nan 0.000 0.486 181 S N 3.538 119.308 115.700 0.118 0.000 2.411 181 S HA 0.546 5.271 4.470 0.425 0.000 0.294 181 S C -0.824 173.708 174.600 -0.114 0.000 1.115 181 S CA -0.533 57.674 58.200 0.011 0.000 1.071 181 S CB -0.201 63.004 63.200 0.009 0.000 0.967 181 S HN 0.369 nan 8.310 nan 0.000 0.488 182 V N 7.161 127.026 119.914 -0.082 0.000 2.311 182 V HA 0.411 4.786 4.120 0.425 0.000 0.275 182 V C 0.450 176.494 176.094 -0.085 0.000 1.022 182 V CA -0.850 61.362 62.300 -0.147 0.000 0.830 182 V CB 0.759 32.522 31.823 -0.100 0.000 1.012 182 V HN 0.828 nan 8.190 nan 0.000 0.452 183 R N 4.214 124.651 120.500 -0.105 0.000 2.248 183 R HA 0.318 4.913 4.340 0.425 0.000 0.337 183 R C 0.617 176.891 176.300 -0.044 0.000 1.085 183 R CA -0.032 56.034 56.100 -0.056 0.000 0.934 183 R CB 0.875 31.144 30.300 -0.052 0.000 1.034 183 R HN 0.682 nan 8.270 nan 0.000 0.465 184 V N 2.640 122.545 119.914 -0.015 0.000 3.605 184 V HA 0.329 4.704 4.120 0.425 0.000 0.284 184 V C 0.118 176.221 176.094 0.014 0.000 1.386 184 V CA -0.068 62.232 62.300 0.000 0.000 1.053 184 V CB -0.123 31.710 31.823 0.018 0.000 0.857 184 V HN 0.475 nan 8.190 nan 0.000 0.436 185 L N 2.358 123.586 121.223 0.009 0.000 2.365 185 L HA 0.612 5.207 4.340 0.425 0.000 0.273 185 L C -0.326 176.542 176.870 -0.003 0.000 1.000 185 L CA -0.818 54.026 54.840 0.006 0.000 0.819 185 L CB 1.947 44.004 42.059 -0.004 0.000 1.284 185 L HN 0.289 nan 8.230 nan 0.000 0.418 186 D N 1.881 122.278 120.400 -0.004 0.000 2.440 186 D HA 0.160 5.055 4.640 0.425 0.000 0.269 186 D C 0.982 177.274 176.300 -0.013 0.000 1.249 186 D CA -0.231 53.764 54.000 -0.008 0.000 1.055 186 D CB 0.826 41.624 40.800 -0.004 0.000 1.104 186 D HN 0.507 nan 8.370 nan 0.000 0.561 187 A N -0.848 121.965 122.820 -0.012 0.000 2.216 187 A HA -0.106 4.469 4.320 0.425 0.000 0.214 187 A C 1.798 179.373 177.584 -0.014 0.000 1.160 187 A CA 0.863 52.892 52.037 -0.014 0.000 0.725 187 A CB -0.655 18.338 19.000 -0.011 0.000 0.784 187 A HN 0.574 nan 8.150 nan 0.000 0.472 188 R N -1.601 118.889 120.500 -0.016 0.000 2.312 188 R HA 0.363 4.958 4.340 0.425 0.000 0.205 188 R C 1.145 177.421 176.300 -0.040 0.000 0.904 188 R CA 0.503 56.591 56.100 -0.020 0.000 1.052 188 R CB -0.074 30.217 30.300 -0.015 0.000 1.014 188 R HN 0.566 nan 8.270 nan 0.000 0.503 189 G N 1.149 109.919 108.800 -0.050 0.000 2.149 189 G HA2 -0.287 3.928 3.960 0.425 0.000 0.235 189 G HA3 -0.287 3.928 3.960 0.425 0.000 0.235 189 G C -0.174 174.683 174.900 -0.071 0.000 1.018 189 G CA 0.350 45.392 45.100 -0.096 0.000 0.728 189 G HN 0.345 nan 8.290 nan 0.000 0.508 190 S N -0.574 115.108 115.700 -0.029 0.000 2.509 190 S HA 0.871 5.596 4.470 0.425 0.000 0.297 190 S C 0.466 175.078 174.600 0.021 0.000 1.118 190 S CA 0.680 58.879 58.200 -0.002 0.000 1.074 190 S CB 1.538 64.739 63.200 0.001 0.000 1.038 190 S HN 1.664 nan 8.310 nan 0.000 0.498 191 G N 1.403 110.237 108.800 0.057 0.000 2.725 191 G HA2 0.586 4.801 3.960 0.425 0.000 0.288 191 G HA3 0.586 4.801 3.960 0.425 0.000 0.288 191 G C -1.026 173.955 174.900 0.134 0.000 1.399 191 G CA -0.612 44.537 45.100 0.082 0.000 0.859 191 G HN 0.981 nan 8.290 nan 0.000 0.479 192 S N -0.781 115.003 115.700 0.141 0.000 2.508 192 S HA 0.337 5.062 4.470 0.425 0.000 0.284 192 S C 0.833 175.633 174.600 0.333 0.000 1.192 192 S CA -0.627 57.698 58.200 0.207 0.000 1.070 192 S CB 1.144 64.429 63.200 0.141 0.000 1.004 192 S HN 0.589 nan 8.310 nan 0.000 0.493 193 Y N 2.052 122.446 120.300 0.156 0.000 2.133 193 Y HA -0.326 4.471 4.550 0.413 0.000 0.279 193 Y C 3.130 179.192 175.900 0.270 0.000 1.209 193 Y CA 1.488 59.701 58.100 0.189 0.000 1.152 193 Y CB -0.339 38.255 38.460 0.223 0.000 0.961 193 Y HN 0.947 nan 8.280 nan 0.000 0.512 194 S N -0.316 115.672 115.700 0.480 0.000 2.368 194 S HA -0.195 4.530 4.470 0.425 0.000 0.225 194 S C 1.494 176.246 174.600 0.253 0.000 1.030 194 S CA 1.621 60.078 58.200 0.428 0.000 0.999 194 S CB -0.348 63.005 63.200 0.255 0.000 0.844 194 S HN 0.373 nan 8.310 nan 0.000 0.459 195 D N 1.307 121.795 120.400 0.147 0.000 2.224 195 D HA 0.148 5.043 4.640 0.425 0.000 0.205 195 D C 1.827 178.162 176.300 0.059 0.000 0.965 195 D CA 0.678 54.704 54.000 0.044 0.000 0.852 195 D CB -0.258 40.558 40.800 0.026 0.000 0.947 195 D HN 0.486 nan 8.370 nan 0.000 0.494 196 I N 0.944 121.581 120.570 0.112 0.000 2.286 196 I HA -0.171 4.254 4.170 0.425 0.000 0.245 196 I C 2.460 178.631 176.117 0.091 0.000 1.104 196 I CA 0.713 62.057 61.300 0.073 0.000 1.397 196 I CB -0.118 37.902 38.000 0.034 0.000 1.072 196 I HN -0.096 nan 8.210 nan 0.000 0.417 197 A N 1.285 124.202 122.820 0.161 0.000 1.865 197 A HA -0.208 4.367 4.320 0.425 0.000 0.217 197 A C 2.271 180.076 177.584 0.368 0.000 1.191 197 A CA 1.692 53.869 52.037 0.233 0.000 0.623 197 A CB -0.997 18.172 19.000 0.282 0.000 0.826 197 A HN 0.380 nan 8.150 nan 0.000 0.444 198 I N -0.048 120.717 120.570 0.326 0.000 2.248 198 I HA -0.253 4.172 4.170 0.425 0.000 0.248 198 I C 2.615 178.741 176.117 0.016 0.000 1.107 198 I CA 1.139 62.432 61.300 -0.013 0.000 1.373 198 I CB -0.569 37.101 38.000 -0.550 0.000 1.055 198 I HN 0.404 nan 8.210 nan 0.000 0.418 199 G N 1.040 109.857 108.800 0.029 0.000 2.418 199 G HA2 -0.193 4.022 3.960 0.425 0.000 0.217 199 G HA3 -0.193 4.022 3.960 0.425 0.000 0.217 199 G C 1.655 176.599 174.900 0.074 0.000 1.158 199 G CA 0.686 45.800 45.100 0.024 0.000 0.771 199 G HN 0.317 nan 8.290 nan 0.000 0.545 200 I N 0.530 121.159 120.570 0.099 0.000 2.252 200 I HA -0.085 4.340 4.170 0.425 0.000 0.245 200 I C 2.572 178.772 176.117 0.139 0.000 1.102 200 I CA 1.464 62.830 61.300 0.110 0.000 1.385 200 I CB -0.195 37.855 38.000 0.084 0.000 1.064 200 I HN 0.317 nan 8.210 nan 0.000 0.414 201 E N 0.639 120.944 120.200 0.175 0.000 2.033 201 E HA -0.309 4.296 4.350 0.425 0.000 0.199 201 E C 2.212 178.930 176.600 0.196 0.000 1.011 201 E CA 1.461 57.987 56.400 0.211 0.000 0.815 201 E CB -0.029 29.869 29.700 0.331 0.000 0.755 201 E HN 0.359 nan 8.360 nan 0.000 0.451 202 Q N -0.096 119.816 119.800 0.186 0.000 2.173 202 Q HA -0.223 4.372 4.340 0.425 0.000 0.208 202 Q C 2.101 178.282 176.000 0.302 0.000 0.989 202 Q CA 1.679 57.619 55.803 0.229 0.000 0.872 202 Q CB -0.528 28.284 28.738 0.125 0.000 0.909 202 Q HN 0.460 nan 8.270 nan 0.000 0.420 203 A N 0.220 123.182 122.820 0.236 0.000 1.929 203 A HA -0.092 4.483 4.320 0.425 0.000 0.216 203 A C 2.139 179.864 177.584 0.236 0.000 1.176 203 A CA 0.930 53.135 52.037 0.280 0.000 0.628 203 A CB -0.452 18.684 19.000 0.227 0.000 0.816 203 A HN 0.323 nan 8.150 nan 0.000 0.444 204 I N -0.491 120.181 120.570 0.170 0.000 2.406 204 I HA -0.165 4.260 4.170 0.425 0.000 0.249 204 I C 2.248 178.420 176.117 0.092 0.000 1.122 204 I CA 0.697 62.071 61.300 0.123 0.000 1.431 204 I CB -0.238 37.824 38.000 0.102 0.000 1.087 204 I HN 0.251 nan 8.210 nan 0.000 0.424 205 L N 0.561 121.843 121.223 0.098 0.000 2.056 205 L HA 0.036 4.631 4.340 0.425 0.000 0.207 205 L C 1.363 178.192 176.870 -0.068 0.000 1.078 205 L CA 0.821 55.687 54.840 0.043 0.000 0.749 205 L CB -1.103 41.009 42.059 0.088 0.000 0.901 205 L HN 0.490 nan 8.230 nan 0.000 0.433 206 G N -0.678 108.046 108.800 -0.126 0.000 2.877 206 G HA2 -0.237 3.978 3.960 0.425 0.000 0.279 206 G HA3 -0.237 3.978 3.960 0.425 0.000 0.279 206 G C -2.001 172.242 174.900 -1.095 0.000 1.431 206 G CA -0.337 44.421 45.100 -0.570 0.000 0.883 206 G HN 0.052 nan 8.290 nan 0.000 0.547 207 P HA -0.128 nan 4.420 nan 0.000 0.218 207 P C 1.470 178.373 177.300 -0.662 0.000 1.154 207 P CA 2.185 64.338 63.100 -1.578 0.000 0.872 207 P CB -0.138 30.872 31.700 -1.150 0.000 0.790 208 D N -2.189 117.957 120.400 -0.423 0.000 2.348 208 D HA 0.001 4.896 4.640 0.425 0.000 0.216 208 D C 1.501 177.711 176.300 -0.151 0.000 0.970 208 D CA 1.099 54.967 54.000 -0.220 0.000 0.889 208 D CB -1.202 39.507 40.800 -0.151 0.000 0.912 208 D HN 0.272 nan 8.370 nan 0.000 0.524 209 G N -0.880 107.818 108.800 -0.170 0.000 2.184 209 G HA2 -0.241 3.974 3.960 0.425 0.000 0.264 209 G HA3 -0.241 3.974 3.960 0.425 0.000 0.264 209 G C 0.077 174.960 174.900 -0.027 0.000 0.975 209 G CA 0.445 45.510 45.100 -0.058 0.000 0.642 209 G HN 0.477 nan 8.290 nan 0.000 0.536 210 V N 0.329 120.214 119.914 -0.049 0.000 2.540 210 V HA 0.826 5.201 4.120 0.425 0.000 0.302 210 V C 0.461 176.544 176.094 -0.017 0.000 1.035 210 V CA -0.584 61.704 62.300 -0.021 0.000 0.873 210 V CB 1.752 33.562 31.823 -0.023 0.000 0.992 210 V HN 1.172 nan 8.190 nan 0.000 0.428 211 A N 3.225 126.049 122.820 0.007 0.000 2.276 211 A HA 0.611 5.186 4.320 0.425 0.000 0.300 211 A C -0.233 177.356 177.584 0.008 0.000 1.235 211 A CA -0.335 51.709 52.037 0.013 0.000 0.867 211 A CB 0.081 19.100 19.000 0.032 0.000 1.137 211 A HN 0.813 nan 8.150 nan 0.000 0.527 223 P HA 0.386 nan 4.420 nan 0.000 0.284 223 P C -0.706 176.598 177.300 0.008 0.000 1.292 223 P CA -0.352 62.754 63.100 0.010 0.000 0.800 223 P CB 0.548 32.257 31.700 0.015 0.000 1.188 224 D N -1.220 119.182 120.400 0.002 0.000 2.372 224 D HA 0.216 5.111 4.640 0.425 0.000 0.243 224 D C 1.209 177.506 176.300 -0.006 0.000 1.297 224 D CA -0.195 53.803 54.000 -0.003 0.000 0.958 224 D CB -0.137 40.655 40.800 -0.013 0.000 1.114 224 D HN 0.333 nan 8.370 nan 0.000 0.496 225 A N 0.093 122.906 122.820 -0.013 0.000 1.972 225 A HA -0.159 4.416 4.320 0.425 0.000 0.219 225 A C 1.576 179.150 177.584 -0.016 0.000 1.169 225 A CA 1.800 53.822 52.037 -0.025 0.000 0.635 225 A CB -0.900 18.082 19.000 -0.030 0.000 0.810 225 A HN 0.747 nan 8.150 nan 0.000 0.446 226 D N -0.145 120.253 120.400 -0.003 0.000 2.319 226 D HA 0.360 5.255 4.640 0.425 0.000 0.230 226 D C 0.418 176.794 176.300 0.126 0.000 1.094 226 D CA 0.425 54.456 54.000 0.051 0.000 0.856 226 D CB -0.504 40.283 40.800 -0.021 0.000 0.915 226 D HN 0.342 nan 8.370 nan 0.000 0.517 227 A N 0.350 123.221 122.820 0.084 0.000 2.363 227 A HA 0.627 5.202 4.320 0.425 0.000 0.270 227 A C 0.680 178.363 177.584 0.165 0.000 1.121 227 A CA -0.252 51.861 52.037 0.126 0.000 0.800 227 A CB 0.468 19.506 19.000 0.064 0.000 1.052 227 A HN 0.387 nan 8.150 nan 0.000 0.493 228 A N 1.645 124.615 122.820 0.251 0.000 2.520 228 A HA 0.339 4.914 4.320 0.425 0.000 0.235 228 A C 0.678 178.302 177.584 0.067 0.000 1.065 228 A CA 0.393 52.529 52.037 0.165 0.000 0.764 228 A CB -0.031 19.111 19.000 0.236 0.000 1.002 228 A HN 0.875 nan 8.150 nan 0.000 0.502 229 E N -0.042 120.164 120.200 0.010 0.000 2.364 229 E HA 0.203 4.808 4.350 0.425 0.000 0.196 229 E C -0.316 176.293 176.600 0.016 0.000 0.990 229 E CA 0.654 57.054 56.400 -0.000 0.000 0.886 229 E CB 0.598 30.280 29.700 -0.029 0.000 0.866 229 E HN 0.423 nan 8.360 nan 0.000 0.493 230 V N 1.225 121.154 119.914 0.025 0.000 2.709 230 V HA 0.443 4.818 4.120 0.425 0.000 0.308 230 V C -0.458 175.677 176.094 0.068 0.000 1.062 230 V CA -0.766 61.560 62.300 0.044 0.000 0.901 230 V CB 2.261 34.102 31.823 0.031 0.000 1.003 230 V HN -0.025 nan 8.190 nan 0.000 0.425 231 I N 2.784 123.404 120.570 0.084 0.000 2.389 231 I HA 0.521 4.946 4.170 0.425 0.000 0.288 231 I C -0.111 176.059 176.117 0.088 0.000 0.999 231 I CA -0.081 61.278 61.300 0.097 0.000 1.129 231 I CB 1.961 40.025 38.000 0.106 0.000 1.288 231 I HN 0.647 nan 8.210 nan 0.000 0.444 232 S N 7.647 123.397 115.700 0.082 0.000 2.502 232 S HA 0.705 5.430 4.470 0.425 0.000 0.304 232 S C -0.673 173.975 174.600 0.079 0.000 1.097 232 S CA -0.607 57.639 58.200 0.076 0.000 1.045 232 S CB 0.891 64.129 63.200 0.062 0.000 1.019 232 S HN 0.552 nan 8.310 nan 0.000 0.481 233 M N 3.905 123.554 119.600 0.083 0.000 2.031 233 M HA 0.260 4.995 4.480 0.425 0.000 0.273 233 M C -0.391 175.966 176.300 0.095 0.000 0.904 233 M CA -0.242 55.108 55.300 0.082 0.000 0.963 233 M CB 1.786 34.427 32.600 0.068 0.000 1.707 233 M HN 0.482 nan 8.290 nan 0.000 0.427 234 S N 4.994 120.769 115.700 0.125 0.000 2.945 234 S HA 0.439 5.164 4.470 0.425 0.000 0.227 234 S C -0.376 174.327 174.600 0.171 0.000 1.353 234 S CA -0.422 57.878 58.200 0.168 0.000 1.236 234 S CB -0.444 62.888 63.200 0.218 0.000 1.069 234 S HN 0.605 nan 8.310 nan 0.000 0.509 235 L N -2.373 118.910 121.223 0.100 0.000 2.568 235 L HA 1.044 5.639 4.340 0.425 0.000 0.257 235 L C -0.573 176.331 176.870 0.057 0.000 1.024 235 L CA -0.774 54.105 54.840 0.065 0.000 0.854 235 L CB 1.320 43.413 42.059 0.055 0.000 1.460 235 L HN 0.250 nan 8.230 nan 0.000 0.409 236 G N -1.109 107.731 108.800 0.068 0.000 2.601 236 G HA2 0.699 4.914 3.960 0.425 0.000 0.291 236 G HA3 0.699 4.914 3.960 0.425 0.000 0.291 236 G C -1.460 173.540 174.900 0.166 0.000 1.456 236 G CA -0.098 45.057 45.100 0.090 0.000 0.804 236 G HN 1.164 nan 8.290 nan 0.000 0.499 237 G N -0.766 108.188 108.800 0.257 0.000 2.690 237 G HA2 0.722 4.937 3.960 0.425 0.000 0.293 237 G HA3 0.722 4.937 3.960 0.425 0.000 0.293 237 G C -1.837 173.212 174.900 0.247 0.000 1.399 237 G CA -0.898 44.365 45.100 0.272 0.000 0.890 237 G HN 0.386 nan 8.290 nan 0.000 0.485 238 P HA 0.056 nan 4.420 nan 0.000 0.220 238 P C 1.045 178.374 177.300 0.048 0.000 1.148 238 P CA 1.044 64.203 63.100 0.099 0.000 0.803 238 P CB 0.282 31.979 31.700 -0.006 0.000 0.782 239 A N 0.647 123.398 122.820 -0.114 0.000 2.371 239 A HA 0.269 4.844 4.320 0.425 0.000 0.257 239 A C -0.150 177.281 177.584 -0.256 0.000 1.089 239 A CA -0.075 51.759 52.037 -0.338 0.000 0.794 239 A CB -0.193 18.238 19.000 -0.949 0.000 1.029 239 A HN -0.020 nan 8.150 nan 0.000 0.488 240 D N 1.007 121.146 120.400 -0.435 0.000 2.454 240 D HA 0.379 5.274 4.640 0.425 0.000 0.247 240 D C -1.438 174.803 176.300 -0.098 0.000 1.129 240 D CA -0.290 53.376 54.000 -0.557 0.000 0.877 240 D CB 0.638 40.913 40.800 -0.874 0.000 1.082 240 D HN 0.357 nan 8.370 nan 0.000 0.537 241 D N 2.143 122.590 120.400 0.078 0.000 2.278 241 D HA 0.177 5.072 4.640 0.425 0.000 0.245 241 D C 1.038 177.334 176.300 -0.007 0.000 1.052 241 D CA -0.475 53.589 54.000 0.106 0.000 0.834 241 D CB 2.188 43.129 40.800 0.234 0.000 1.194 241 D HN 0.202 nan 8.370 nan 0.000 0.481 242 S N 1.372 117.109 115.700 0.061 0.000 2.369 242 S HA -0.283 4.442 4.470 0.425 0.000 0.225 242 S C 1.929 176.542 174.600 0.023 0.000 1.043 242 S CA 1.582 59.824 58.200 0.070 0.000 1.074 242 S CB -0.643 62.610 63.200 0.088 0.000 0.962 242 S HN 0.745 nan 8.310 nan 0.000 0.433 243 Y N 1.815 122.100 120.300 -0.025 0.000 2.193 243 Y HA -0.088 4.730 4.550 0.448 0.000 0.285 243 Y C 2.107 177.922 175.900 -0.142 0.000 1.166 243 Y CA 1.057 59.084 58.100 -0.121 0.000 1.181 243 Y CB -0.798 37.569 38.460 -0.154 0.000 0.976 243 Y HN 0.211 nan 8.280 nan 0.000 0.520 244 L N -0.828 119.895 121.223 -0.834 0.000 2.109 244 L HA -0.084 4.511 4.340 0.425 0.000 0.207 244 L C 2.333 179.024 176.870 -0.298 0.000 1.086 244 L CA 1.495 55.980 54.840 -0.592 0.000 0.760 244 L CB -1.070 40.681 42.059 -0.513 0.000 0.910 244 L HN 0.348 nan 8.230 nan 0.000 0.437 245 Y N 0.646 120.657 120.300 -0.482 0.000 2.242 245 Y HA -0.209 4.741 4.550 0.666 0.000 0.291 245 Y C 2.107 177.767 175.900 -0.399 0.000 1.137 245 Y CA 1.698 59.399 58.100 -0.665 0.000 1.181 245 Y CB -0.425 37.633 38.460 -0.670 0.000 0.989 245 Y HN 0.351 nan 8.280 nan 0.000 0.527 246 D N -0.467 119.750 120.400 -0.304 0.000 2.144 246 D HA -0.181 4.714 4.640 0.425 0.000 0.200 246 D C 2.111 178.263 176.300 -0.247 0.000 0.978 246 D CA 1.337 55.159 54.000 -0.295 0.000 0.833 246 D CB -0.394 40.302 40.800 -0.173 0.000 0.961 246 D HN 0.370 nan 8.370 nan 0.000 0.470 247 M N 0.367 119.835 119.600 -0.220 0.000 2.229 247 M HA -0.063 4.672 4.480 0.425 0.000 0.264 247 M C 1.589 177.824 176.300 -0.107 0.000 1.063 247 M CA 0.937 56.151 55.300 -0.144 0.000 1.114 247 M CB -0.027 32.493 32.600 -0.133 0.000 1.387 247 M HN -0.103 nan 8.290 nan 0.000 0.420 248 I N -0.549 119.923 120.570 -0.162 0.000 2.286 248 I HA -0.234 4.191 4.170 0.425 0.000 0.245 248 I C 2.335 178.374 176.117 -0.130 0.000 1.104 248 I CA 1.334 62.571 61.300 -0.106 0.000 1.397 248 I CB -1.126 36.816 38.000 -0.098 0.000 1.072 248 I HN 0.293 nan 8.210 nan 0.000 0.417 249 I N 0.672 121.055 120.570 -0.311 0.000 2.127 249 I HA -0.333 4.092 4.170 0.425 0.000 0.241 249 I C 2.722 178.799 176.117 -0.066 0.000 1.075 249 I CA 1.260 62.404 61.300 -0.260 0.000 1.334 249 I CB -0.408 37.318 38.000 -0.456 0.000 1.040 249 I HN 0.263 nan 8.210 nan 0.000 0.405 250 Q N 0.639 120.393 119.800 -0.076 0.000 2.133 250 Q HA -0.254 4.341 4.340 0.425 0.000 0.208 250 Q C 2.394 178.409 176.000 0.025 0.000 0.991 250 Q CA 2.108 57.902 55.803 -0.015 0.000 0.867 250 Q CB -0.898 27.832 28.738 -0.013 0.000 0.911 250 Q HN 0.625 nan 8.270 nan 0.000 0.417 251 A N 0.172 123.015 122.820 0.039 0.000 1.865 251 A HA -0.235 4.340 4.320 0.425 0.000 0.217 251 A C 2.071 179.709 177.584 0.090 0.000 1.191 251 A CA 1.625 53.703 52.037 0.069 0.000 0.623 251 A CB -1.083 17.967 19.000 0.083 0.000 0.826 251 A HN 0.431 nan 8.150 nan 0.000 0.444 252 Y N 1.571 121.861 120.300 -0.015 0.000 2.070 252 Y HA -0.273 4.547 4.550 0.450 0.000 0.280 252 Y C 2.165 178.059 175.900 -0.009 0.000 1.148 252 Y CA 2.358 60.455 58.100 -0.005 0.000 1.125 252 Y CB -0.386 38.068 38.460 -0.011 0.000 0.975 252 Y HN 0.346 nan 8.280 nan 0.000 0.492 253 N N 0.578 119.311 118.700 0.055 0.000 2.258 253 N HA -0.177 4.818 4.740 0.425 0.000 0.187 253 N C 1.684 177.150 175.510 -0.073 0.000 1.012 253 N CA 1.277 54.304 53.050 -0.039 0.000 0.870 253 N CB -0.687 37.820 38.487 0.034 0.000 0.977 253 N HN 0.544 nan 8.380 nan 0.000 0.434 254 A N -0.015 122.780 122.820 -0.042 0.000 2.209 254 A HA 0.324 4.899 4.320 0.425 0.000 0.212 254 A C 1.520 179.068 177.584 -0.061 0.000 1.158 254 A CA 0.894 52.912 52.037 -0.032 0.000 0.742 254 A CB -0.478 18.524 19.000 0.004 0.000 0.790 254 A HN 0.334 nan 8.150 nan 0.000 0.472 255 G N -1.011 107.711 108.800 -0.130 0.000 2.137 255 G HA2 -0.215 4.000 3.960 0.425 0.000 0.237 255 G HA3 -0.215 4.000 3.960 0.425 0.000 0.237 255 G C -0.003 174.840 174.900 -0.095 0.000 1.002 255 G CA 0.265 45.270 45.100 -0.158 0.000 0.702 255 G HN 0.470 nan 8.290 nan 0.000 0.515 256 I N 0.865 121.404 120.570 -0.052 0.000 2.331 256 I HA 0.347 4.772 4.170 0.425 0.000 0.292 256 I C 0.833 176.973 176.117 0.039 0.000 0.998 256 I CA -1.038 60.267 61.300 0.008 0.000 1.267 256 I CB 1.635 39.662 38.000 0.045 0.000 1.386 256 I HN -0.096 nan 8.210 nan 0.000 0.476 257 V N 7.677 127.617 119.914 0.043 0.000 2.530 257 V HA 0.290 4.665 4.120 0.425 0.000 0.282 257 V C 0.136 176.290 176.094 0.101 0.000 1.048 257 V CA -0.229 62.116 62.300 0.076 0.000 0.997 257 V CB 1.026 32.879 31.823 0.050 0.000 0.987 257 V HN 0.436 nan 8.190 nan 0.000 0.477 258 I N 4.903 125.555 120.570 0.137 0.000 2.406 258 I HA 0.523 4.948 4.170 0.425 0.000 0.290 258 I C -0.609 175.585 176.117 0.128 0.000 0.999 258 I CA -0.591 60.788 61.300 0.131 0.000 1.124 258 I CB 1.926 40.016 38.000 0.150 0.000 1.289 258 I HN 0.281 nan 8.210 nan 0.000 0.441 259 V N 5.135 125.115 119.914 0.110 0.000 2.540 259 V HA 0.909 5.284 4.120 0.425 0.000 0.302 259 V C -0.107 176.047 176.094 0.099 0.000 1.035 259 V CA -0.435 61.929 62.300 0.107 0.000 0.873 259 V CB 1.559 33.441 31.823 0.099 0.000 0.992 259 V HN 0.869 nan 8.190 nan 0.000 0.428 260 A N 3.262 126.140 122.820 0.096 0.000 2.572 260 A HA 0.912 5.486 4.320 0.425 0.000 0.295 260 A C -0.232 177.397 177.584 0.074 0.000 1.072 260 A CA -0.291 51.794 52.037 0.080 0.000 0.691 260 A CB 1.558 20.596 19.000 0.063 0.000 1.291 260 A HN 1.572 nan 8.150 nan 0.000 0.404 261 A N 1.012 123.877 122.820 0.076 0.000 2.522 261 A HA 0.435 5.010 4.320 0.425 0.000 0.256 261 A C 1.484 179.101 177.584 0.055 0.000 1.086 261 A CA 0.690 52.777 52.037 0.083 0.000 0.763 261 A CB -0.084 18.971 19.000 0.093 0.000 1.024 261 A HN 1.868 nan 8.150 nan 0.000 0.502 262 S N 2.488 118.227 115.700 0.064 0.000 2.392 262 S HA 0.135 4.860 4.470 0.425 0.000 0.232 262 S C 1.117 175.731 174.600 0.023 0.000 1.041 262 S CA 2.232 60.452 58.200 0.035 0.000 1.026 262 S CB -0.579 62.655 63.200 0.056 0.000 0.845 262 S HN 2.661 nan 8.310 nan 0.000 0.465 263 G N -0.174 108.664 108.800 0.064 0.000 2.539 263 G HA2 -0.046 4.169 3.960 0.425 0.000 0.686 263 G HA3 -0.046 4.169 3.960 0.425 0.000 0.686 263 G C -0.807 174.170 174.900 0.129 0.000 1.258 263 G CA -0.254 44.884 45.100 0.063 0.000 0.846 263 G HN 0.249 nan 8.290 nan 0.000 0.647 264 N N -0.037 118.725 118.700 0.104 0.000 2.416 264 N HA 0.342 5.337 4.740 0.425 0.000 0.267 264 N C 0.595 176.189 175.510 0.141 0.000 1.294 264 N CA -0.062 53.080 53.050 0.153 0.000 0.891 264 N CB 1.180 39.615 38.487 -0.086 0.000 1.238 264 N HN 0.567 nan 8.380 nan 0.000 0.508 265 E N -0.810 119.457 120.200 0.111 0.000 2.562 265 E HA 0.294 4.899 4.350 0.425 0.000 0.214 265 E C 0.871 177.509 176.600 0.064 0.000 0.979 265 E CA -0.121 56.323 56.400 0.072 0.000 1.002 265 E CB 0.442 30.165 29.700 0.038 0.000 1.048 265 E HN 0.208 nan 8.360 nan 0.000 0.488 266 G N 1.057 109.902 108.800 0.075 0.000 2.305 266 G HA2 -0.262 3.953 3.960 0.425 0.000 0.287 266 G HA3 -0.262 3.953 3.960 0.425 0.000 0.287 266 G C 0.393 175.293 174.900 -0.001 0.000 1.036 266 G CA 0.268 45.382 45.100 0.022 0.000 0.887 266 G HN 0.493 nan 8.290 nan 0.000 0.505 267 A N 0.077 122.899 122.820 0.003 0.000 2.271 267 A HA 0.835 5.410 4.320 0.425 0.000 0.288 267 A C -0.151 177.422 177.584 -0.020 0.000 1.094 267 A CA -0.781 51.251 52.037 -0.007 0.000 0.828 267 A CB 0.908 19.905 19.000 -0.005 0.000 1.091 267 A HN 0.130 nan 8.150 nan 0.000 0.493 268 P HA 0.021 nan 4.420 nan 0.000 0.236 268 P C 0.192 177.483 177.300 -0.014 0.000 1.177 268 P CA 1.202 64.291 63.100 -0.019 0.000 0.773 268 P CB 0.085 31.778 31.700 -0.013 0.000 0.878 269 S N -2.552 113.132 115.700 -0.027 0.000 2.607 269 S HA 0.672 5.397 4.470 0.425 0.000 0.273 269 S C -3.320 171.232 174.600 -0.080 0.000 1.148 269 S CA -1.947 56.228 58.200 -0.041 0.000 0.833 269 S CB 1.394 64.562 63.200 -0.053 0.000 1.130 269 S HN -0.285 nan 8.310 nan 0.000 0.470 270 P HA 0.310 nan 4.420 nan 0.000 0.270 270 P C -0.192 176.938 177.300 -0.284 0.000 1.223 270 P CA -0.108 62.894 63.100 -0.164 0.000 0.785 270 P CB 0.440 32.040 31.700 -0.166 0.000 0.923 271 S N 0.186 115.753 115.700 -0.222 0.000 2.634 271 S HA 0.256 4.981 4.470 0.425 0.000 0.261 271 S C -0.485 173.834 174.600 -0.468 0.000 1.271 271 S CA -0.075 57.983 58.200 -0.237 0.000 0.985 271 S CB -0.122 63.041 63.200 -0.061 0.000 0.968 271 S HN 0.208 nan 8.310 nan 0.000 0.568 272 Y N 1.625 121.836 120.300 -0.147 0.000 2.323 272 Y HA 0.323 4.747 4.550 -0.210 0.000 0.331 272 Y C -1.287 174.503 175.900 -0.184 0.000 1.092 272 Y CA -1.924 56.010 58.100 -0.278 0.000 1.150 272 Y CB 0.827 39.106 38.460 -0.301 0.000 1.200 272 Y HN 0.486 nan 8.280 nan 0.000 0.472 273 P HA 0.067 nan 4.420 nan 0.000 0.257 273 P C 0.703 177.905 177.300 -0.164 0.000 1.281 273 P CA 0.604 63.648 63.100 -0.093 0.000 0.826 273 P CB 0.216 32.015 31.700 0.165 0.000 1.237 274 A N 1.046 123.754 122.820 -0.187 0.000 2.015 274 A HA 0.022 4.597 4.320 0.425 0.000 0.219 274 A C 2.309 179.757 177.584 -0.227 0.000 1.163 274 A CA 1.592 53.553 52.037 -0.126 0.000 0.646 274 A CB -1.239 17.716 19.000 -0.075 0.000 0.806 274 A HN 0.246 nan 8.150 nan 0.000 0.448 275 A N -1.348 121.152 122.820 -0.534 0.000 2.119 275 A HA 0.161 4.736 4.320 0.425 0.000 0.217 275 A C 0.482 177.844 177.584 -0.369 0.000 1.153 275 A CA 0.109 51.787 52.037 -0.597 0.000 0.692 275 A CB -0.535 17.802 19.000 -1.104 0.000 0.799 275 A HN 0.429 nan 8.150 nan 0.000 0.458 276 Y N -0.010 120.220 120.300 -0.116 0.000 2.717 276 Y HA 0.153 4.889 4.550 0.311 0.000 0.330 276 Y C -1.284 174.584 175.900 -0.053 0.000 1.217 276 Y CA -1.627 56.461 58.100 -0.020 0.000 1.506 276 Y CB -0.213 38.336 38.460 0.150 0.000 1.268 276 Y HN 0.146 nan 8.280 nan 0.000 0.561 277 P HA -0.199 nan 4.420 nan 0.000 0.218 277 P C 0.745 178.082 177.300 0.062 0.000 1.146 277 P CA 1.727 64.789 63.100 -0.063 0.000 0.813 277 P CB 0.315 31.970 31.700 -0.076 0.000 0.778 278 E N -1.216 119.005 120.200 0.034 0.000 2.479 278 E HA 0.073 4.677 4.350 0.425 0.000 0.193 278 E C 0.274 176.942 176.600 0.113 0.000 1.049 278 E CA 0.213 56.552 56.400 -0.102 0.000 0.870 278 E CB -0.179 29.235 29.700 -0.476 0.000 0.944 278 E HN 0.096 nan 8.360 nan 0.000 0.492 279 V N 1.982 121.995 119.914 0.163 0.000 2.630 279 V HA 0.323 4.698 4.120 0.425 0.000 0.305 279 V C 0.378 176.568 176.094 0.160 0.000 1.046 279 V CA -0.874 61.528 62.300 0.170 0.000 0.934 279 V CB 1.902 33.831 31.823 0.176 0.000 1.003 279 V HN 0.061 nan 8.190 nan 0.000 0.451 280 I N 3.478 124.145 120.570 0.163 0.000 2.337 280 I HA 0.410 4.835 4.170 0.425 0.000 0.291 280 I C 0.785 176.987 176.117 0.140 0.000 1.046 280 I CA -0.036 61.370 61.300 0.176 0.000 1.324 280 I CB 1.004 39.111 38.000 0.177 0.000 1.409 280 I HN 0.713 nan 8.210 nan 0.000 0.494 281 A N 7.338 130.238 122.820 0.134 0.000 2.396 281 A HA 0.516 5.091 4.320 0.425 0.000 0.279 281 A C -0.181 177.483 177.584 0.133 0.000 1.165 281 A CA -0.286 51.811 52.037 0.100 0.000 0.824 281 A CB 0.163 19.204 19.000 0.068 0.000 1.100 281 A HN 0.513 nan 8.150 nan 0.000 0.516 282 V N 3.296 123.279 119.914 0.115 0.000 2.384 282 V HA 0.645 5.020 4.120 0.425 0.000 0.287 282 V C 0.905 177.066 176.094 0.111 0.000 1.020 282 V CA -0.060 62.315 62.300 0.126 0.000 0.850 282 V CB 1.298 33.200 31.823 0.131 0.000 0.987 282 V HN 1.074 nan 8.190 nan 0.000 0.436 283 G N 2.790 111.647 108.800 0.095 0.000 2.491 283 G HA2 0.720 4.935 3.960 0.425 0.000 0.327 283 G HA3 0.720 4.935 3.960 0.425 0.000 0.327 283 G C -0.565 174.377 174.900 0.069 0.000 1.189 283 G CA -0.466 44.675 45.100 0.067 0.000 0.956 283 G HN 1.056 nan 8.290 nan 0.000 0.491 284 A N 0.075 122.923 122.820 0.048 0.000 2.276 284 A HA 0.677 5.252 4.320 0.425 0.000 0.316 284 A C -0.003 177.565 177.584 -0.026 0.000 1.229 284 A CA -0.605 51.472 52.037 0.067 0.000 0.851 284 A CB 0.285 19.428 19.000 0.239 0.000 1.165 284 A HN 1.072 nan 8.150 nan 0.000 0.513 285 I N -0.056 120.549 120.570 0.059 0.000 2.607 285 I HA 0.750 5.175 4.170 0.425 0.000 0.305 285 I C -0.266 175.972 176.117 0.201 0.000 0.995 285 I CA -0.927 60.430 61.300 0.095 0.000 1.148 285 I CB 1.706 39.818 38.000 0.187 0.000 1.323 285 I HN 0.623 nan 8.210 nan 0.000 0.461 286 D N 2.032 122.511 120.400 0.132 0.000 2.432 286 D HA 0.236 5.131 4.640 0.425 0.000 0.258 286 D C 1.081 177.344 176.300 -0.061 0.000 1.146 286 D CA -0.308 53.751 54.000 0.099 0.000 1.015 286 D CB 1.000 41.775 40.800 -0.042 0.000 1.107 286 D HN 0.664 nan 8.370 nan 0.000 0.529 287 S N -0.399 114.955 115.700 -0.576 0.000 2.465 287 S HA -0.196 4.529 4.470 0.425 0.000 0.241 287 S C 0.938 175.300 174.600 -0.396 0.000 1.000 287 S CA 0.527 58.130 58.200 -0.995 0.000 0.964 287 S CB -0.608 61.846 63.200 -1.243 0.000 0.763 287 S HN 0.487 nan 8.310 nan 0.000 0.512 288 N N 1.339 119.904 118.700 -0.225 0.000 2.398 288 N HA 0.094 5.089 4.740 0.425 0.000 0.188 288 N C -0.488 174.997 175.510 -0.042 0.000 1.122 288 N CA 0.579 53.556 53.050 -0.120 0.000 0.866 288 N CB -0.148 38.274 38.487 -0.109 0.000 0.970 288 N HN 0.259 nan 8.380 nan 0.000 0.462 289 D N -0.209 120.195 120.400 0.007 0.000 3.090 289 D HA -0.163 4.732 4.640 0.425 0.000 0.215 289 D C -0.746 175.659 176.300 0.174 0.000 1.140 289 D CA 0.721 54.779 54.000 0.097 0.000 0.937 289 D CB -1.929 38.900 40.800 0.048 0.000 1.108 289 D HN 0.424 nan 8.370 nan 0.000 0.420 290 N N -0.001 118.747 118.700 0.079 0.000 2.518 290 N HA 0.429 5.424 4.740 0.425 0.000 0.283 290 N C 0.116 175.598 175.510 -0.047 0.000 1.119 290 N CA -0.650 52.423 53.050 0.039 0.000 0.983 290 N CB 1.032 39.492 38.487 -0.045 0.000 1.139 290 N HN 0.049 nan 8.380 nan 0.000 0.465 291 I N 2.382 122.811 120.570 -0.235 0.000 2.598 291 I HA 0.037 4.462 4.170 0.425 0.000 0.284 291 I C 0.338 176.254 176.117 -0.335 0.000 1.140 291 I CA 0.192 61.272 61.300 -0.367 0.000 1.420 291 I CB -0.060 37.558 38.000 -0.636 0.000 1.387 291 I HN 0.604 nan 8.210 nan 0.000 0.553 292 A N 5.077 127.652 122.820 -0.408 0.000 2.531 292 A HA 0.152 4.727 4.320 0.425 0.000 0.236 292 A C 1.320 178.506 177.584 -0.663 0.000 1.062 292 A CA 0.598 52.241 52.037 -0.657 0.000 0.760 292 A CB -0.033 18.210 19.000 -1.262 0.000 0.995 292 A HN 0.941 nan 8.150 nan 0.000 0.501 293 S N 1.620 117.029 115.700 -0.485 0.000 2.522 293 S HA -0.081 4.644 4.470 0.425 0.000 0.227 293 S C 1.231 175.726 174.600 -0.176 0.000 0.986 293 S CA 1.162 59.197 58.200 -0.274 0.000 0.929 293 S CB -0.642 62.468 63.200 -0.150 0.000 0.769 293 S HN 1.065 nan 8.310 nan 0.000 0.529 294 F N 1.804 121.739 119.950 -0.025 0.000 2.456 294 F HA 0.395 5.175 4.527 0.421 0.000 0.298 294 F C 1.033 176.821 175.800 -0.019 0.000 1.104 294 F CA -0.405 57.587 58.000 -0.014 0.000 1.435 294 F CB -1.247 37.756 39.000 0.006 0.000 1.078 294 F HN 0.125 nan 8.300 nan 0.000 0.546 295 S N 1.939 117.586 115.700 -0.088 0.000 2.555 295 S HA 0.005 4.730 4.470 0.425 0.000 0.293 295 S C 0.191 174.794 174.600 0.005 0.000 1.248 295 S CA -0.390 57.822 58.200 0.020 0.000 1.096 295 S CB -0.869 62.219 63.200 -0.186 0.000 0.881 295 S HN 0.485 nan 8.310 nan 0.000 0.498 296 N N 3.832 122.565 118.700 0.055 0.000 2.454 296 N HA 0.061 5.056 4.740 0.425 0.000 0.254 296 N C 0.227 175.720 175.510 -0.030 0.000 1.228 296 N CA -0.422 52.632 53.050 0.007 0.000 0.900 296 N CB 0.407 38.900 38.487 0.010 0.000 1.089 296 N HN 0.469 nan 8.380 nan 0.000 0.449 297 R N 1.291 121.764 120.500 -0.045 0.000 2.580 297 R HA 0.108 4.703 4.340 0.425 0.000 0.267 297 R C 0.214 176.507 176.300 -0.012 0.000 1.125 297 R CA -0.235 55.825 56.100 -0.067 0.000 1.188 297 R CB -0.082 30.171 30.300 -0.080 0.000 1.155 297 R HN 0.663 nan 8.270 nan 0.000 0.586 298 Q N -1.272 118.526 119.800 -0.002 0.000 2.451 298 Q HA -0.163 4.432 4.340 0.425 0.000 0.305 298 Q C -1.990 174.166 176.000 0.259 0.000 1.345 298 Q CA 0.240 56.185 55.803 0.235 0.000 0.854 298 Q CB -1.608 27.331 28.738 0.335 0.000 1.162 298 Q HN 0.446 nan 8.270 nan 0.000 0.440 299 P HA -0.029 nan 4.420 nan 0.000 0.277 299 P C 0.398 177.925 177.300 0.379 0.000 1.276 299 P CA -0.014 63.194 63.100 0.180 0.000 0.788 299 P CB 0.788 32.548 31.700 0.100 0.000 1.114 300 E N -0.440 119.962 120.200 0.336 0.000 2.042 300 E HA 0.002 4.607 4.350 0.425 0.000 0.189 300 E C 0.560 177.454 176.600 0.489 0.000 0.974 300 E CA 0.682 57.355 56.400 0.456 0.000 0.806 300 E CB 0.192 30.129 29.700 0.395 0.000 0.769 300 E HN 0.335 nan 8.360 nan 0.000 0.451 301 V N -1.407 118.716 119.914 0.348 0.000 3.158 301 V HA 0.684 5.059 4.120 0.425 0.000 0.311 301 V C -0.555 175.658 176.094 0.199 0.000 1.181 301 V CA -0.445 62.037 62.300 0.305 0.000 1.054 301 V CB 1.689 33.692 31.823 0.299 0.000 1.085 301 V HN 0.201 nan 8.190 nan 0.000 0.446 302 S N 0.042 115.849 115.700 0.178 0.000 2.634 302 S HA 1.044 5.769 4.470 0.425 0.000 0.296 302 S C -0.320 174.345 174.600 0.108 0.000 1.104 302 S CA -0.258 58.022 58.200 0.133 0.000 0.920 302 S CB 1.695 64.979 63.200 0.140 0.000 1.111 302 S HN 2.532 nan 8.310 nan 0.000 0.493 303 A N 0.251 123.109 122.820 0.063 0.000 2.586 303 A HA 0.838 5.413 4.320 0.425 0.000 0.290 303 A C -3.419 174.085 177.584 -0.134 0.000 1.086 303 A CA -1.581 50.436 52.037 -0.034 0.000 0.665 303 A CB 0.217 19.206 19.000 -0.018 0.000 1.279 303 A HN 0.566 nan 8.150 nan 0.000 0.423 304 P HA 0.273 nan 4.420 nan 0.000 0.262 304 P C 0.741 177.908 177.300 -0.222 0.000 1.182 304 P CA 1.373 64.196 63.100 -0.461 0.000 0.761 304 P CB 0.591 31.572 31.700 -1.200 0.000 0.795 305 G N 1.370 110.239 108.800 0.115 0.000 4.247 305 G HA2 0.262 4.477 3.960 0.425 0.000 0.231 305 G HA3 0.262 4.477 3.960 0.425 0.000 0.231 305 G C -0.767 174.360 174.900 0.378 0.000 1.079 305 G CA 0.024 45.274 45.100 0.250 0.000 0.850 305 G HN 0.401 nan 8.290 nan 0.000 0.435 306 V N 1.438 121.602 119.914 0.417 0.000 2.525 306 V HA 0.434 4.809 4.120 0.425 0.000 0.299 306 V C -0.811 175.572 176.094 0.481 0.000 1.034 306 V CA -0.928 61.617 62.300 0.408 0.000 0.863 306 V CB 1.629 33.630 31.823 0.298 0.000 0.999 306 V HN 0.282 nan 8.190 nan 0.000 0.423 307 D N 3.155 123.786 120.400 0.385 0.000 2.760 307 D HA -0.134 4.761 4.640 0.425 0.000 0.244 307 D C -0.415 176.187 176.300 0.503 0.000 1.123 307 D CA 0.549 54.786 54.000 0.395 0.000 0.719 307 D CB -0.426 40.575 40.800 0.334 0.000 1.045 307 D HN 0.250 nan 8.370 nan 0.000 0.426 308 I N 1.396 122.192 120.570 0.377 0.000 2.307 308 I HA 0.243 4.668 4.170 0.425 0.000 0.289 308 I C 0.791 177.118 176.117 0.350 0.000 1.021 308 I CA -0.913 60.573 61.300 0.310 0.000 1.224 308 I CB 0.823 39.015 38.000 0.321 0.000 1.376 308 I HN 0.130 nan 8.210 nan 0.000 0.470 309 L N 6.346 127.715 121.223 0.243 0.000 2.371 309 L HA 0.594 5.189 4.340 0.425 0.000 0.272 309 L C 0.279 177.175 176.870 0.044 0.000 1.124 309 L CA 1.022 55.987 54.840 0.208 0.000 0.816 309 L CB 1.246 43.404 42.059 0.165 0.000 1.129 309 L HN 0.707 nan 8.230 nan 0.000 0.448 310 S N 0.752 116.440 115.700 -0.019 0.000 2.755 310 S HA 0.553 5.278 4.470 0.425 0.000 0.286 310 S C -0.822 173.801 174.600 0.038 0.000 1.207 310 S CA -0.069 58.003 58.200 -0.213 0.000 0.892 310 S CB 0.634 63.296 63.200 -0.898 0.000 1.240 310 S HN 0.961 nan 8.310 nan 0.000 0.525 311 T N 0.078 114.581 114.554 -0.086 0.000 2.813 311 T HA 0.587 5.192 4.350 0.425 0.000 0.297 311 T C -0.951 173.780 174.700 0.051 0.000 1.036 311 T CA 0.075 62.056 62.100 -0.198 0.000 1.044 311 T CB 0.529 69.035 68.868 -0.605 0.000 0.993 311 T HN 0.584 nan 8.240 nan 0.000 0.535 312 Y N 0.645 120.853 120.300 -0.153 0.000 2.565 312 Y HA 0.423 5.228 4.550 0.424 0.000 0.330 312 Y C -2.849 173.052 175.900 0.002 0.000 1.150 312 Y CA -2.196 55.895 58.100 -0.015 0.000 1.055 312 Y CB 2.078 40.568 38.460 0.051 0.000 1.337 312 Y HN 0.527 nan 8.280 nan 0.000 0.457 313 P HA 0.115 nan 4.420 nan 0.000 0.272 313 P C -1.193 176.098 177.300 -0.016 0.000 1.230 313 P CA 0.037 63.063 63.100 -0.123 0.000 0.788 313 P CB 0.652 32.216 31.700 -0.227 0.000 0.949 314 D N 1.643 122.023 120.400 -0.033 0.000 2.373 314 D HA 0.136 5.031 4.640 0.425 0.000 0.227 314 D C -0.427 175.780 176.300 -0.156 0.000 1.091 314 D CA 0.106 54.046 54.000 -0.100 0.000 0.840 314 D CB -0.426 40.316 40.800 -0.096 0.000 1.060 314 D HN 0.279 nan 8.370 nan 0.000 0.502 315 D N 1.569 121.786 120.400 -0.304 0.000 2.800 315 D HA -0.173 4.722 4.640 0.425 0.000 0.232 315 D C 0.053 176.058 176.300 -0.491 0.000 1.137 315 D CA 1.296 54.880 54.000 -0.694 0.000 0.718 315 D CB -1.495 39.042 40.800 -0.438 0.000 1.084 315 D HN 0.434 nan 8.370 nan 0.000 0.432 316 S N -1.869 113.672 115.700 -0.265 0.000 3.331 316 S HA 0.827 5.552 4.470 0.425 0.000 0.316 316 S C -0.954 173.328 174.600 -0.531 0.000 1.104 316 S CA -0.693 57.369 58.200 -0.230 0.000 0.977 316 S CB 2.173 65.415 63.200 0.070 0.000 1.370 316 S HN 0.056 nan 8.310 nan 0.000 0.731 317 Y N -0.484 119.949 120.300 0.222 0.000 2.581 317 Y HA 0.839 5.644 4.550 0.425 0.000 0.337 317 Y C -0.456 175.498 175.900 0.090 0.000 1.108 317 Y CA -0.568 57.635 58.100 0.172 0.000 1.033 317 Y CB 1.990 40.517 38.460 0.113 0.000 1.318 317 Y HN 0.940 nan 8.280 nan 0.000 0.459 318 E N -0.350 119.972 120.200 0.203 0.000 2.416 318 E HA 0.627 5.231 4.350 0.425 0.000 0.280 318 E C -1.793 174.874 176.600 0.112 0.000 1.055 318 E CA -0.699 55.681 56.400 -0.034 0.000 0.825 318 E CB 1.982 31.301 29.700 -0.635 0.000 1.312 318 E HN 0.519 nan 8.360 nan 0.000 0.452 319 T N 2.160 116.731 114.554 0.029 0.000 2.792 319 T HA 0.719 5.324 4.350 0.425 0.000 0.280 319 T C -0.540 174.162 174.700 0.003 0.000 0.990 319 T CA -0.581 61.593 62.100 0.125 0.000 0.960 319 T CB 0.251 69.196 68.868 0.128 0.000 0.939 319 T HN 0.307 nan 8.240 nan 0.000 0.439 320 L N 3.003 124.222 121.223 -0.007 0.000 2.303 320 L HA 0.793 5.388 4.340 0.425 0.000 0.256 320 L C -0.467 176.433 176.870 0.050 0.000 1.034 320 L CA -1.419 53.351 54.840 -0.116 0.000 0.832 320 L CB 2.117 43.901 42.059 -0.458 0.000 1.403 320 L HN 0.640 nan 8.230 nan 0.000 0.419 321 M N -0.191 119.433 119.600 0.039 0.000 2.618 321 M HA 0.986 5.721 4.480 0.425 0.000 0.281 321 M C -0.488 175.776 176.300 -0.061 0.000 1.267 321 M CA -0.508 54.860 55.300 0.113 0.000 0.845 321 M CB 2.706 35.434 32.600 0.214 0.000 1.732 321 M HN 0.625 nan 8.290 nan 0.000 0.461 322 G N 0.170 108.934 108.800 -0.059 0.000 2.326 322 G HA2 0.145 4.360 3.960 0.425 0.000 0.413 322 G HA3 0.145 4.360 3.960 0.425 0.000 0.413 322 G C -0.044 174.925 174.900 0.114 0.000 1.444 322 G CA -0.170 44.714 45.100 -0.361 0.000 1.002 322 G HN 1.199 nan 8.290 nan 0.000 0.649 323 T N -1.618 113.053 114.554 0.194 0.000 3.007 323 T HA 0.208 4.813 4.350 0.425 0.000 0.270 323 T C 2.435 177.235 174.700 0.166 0.000 1.107 323 T CA 1.962 64.209 62.100 0.245 0.000 1.118 323 T CB -0.048 68.959 68.868 0.231 0.000 0.889 323 T HN 1.889 nan 8.240 nan 0.000 0.506 324 A N 1.723 124.627 122.820 0.139 0.000 2.121 324 A HA 0.138 4.713 4.320 0.425 0.000 0.218 324 A C 2.308 179.963 177.584 0.118 0.000 1.154 324 A CA 1.185 53.311 52.037 0.149 0.000 0.679 324 A CB -0.578 18.569 19.000 0.244 0.000 0.795 324 A HN 0.603 nan 8.150 nan 0.000 0.458 325 M N -1.761 117.929 119.600 0.151 0.000 2.514 325 M HA 0.260 4.995 4.480 0.425 0.000 0.258 325 M C 2.178 178.661 176.300 0.305 0.000 1.159 325 M CA 1.125 56.545 55.300 0.201 0.000 1.116 325 M CB -0.955 31.785 32.600 0.233 0.000 1.333 325 M HN 0.300 nan 8.290 nan 0.000 0.487 326 A N 1.293 124.264 122.820 0.251 0.000 1.897 326 A HA -0.063 4.512 4.320 0.425 0.000 0.215 326 A C 2.307 180.040 177.584 0.248 0.000 1.181 326 A CA 2.088 54.258 52.037 0.221 0.000 0.620 326 A CB -1.065 18.025 19.000 0.149 0.000 0.821 326 A HN 0.423 nan 8.150 nan 0.000 0.443 327 T N 1.019 115.686 114.554 0.188 0.000 2.607 327 T HA -0.121 4.484 4.350 0.425 0.000 0.267 327 T C -0.229 174.545 174.700 0.123 0.000 1.049 327 T CA 2.020 64.207 62.100 0.146 0.000 1.162 327 T CB -1.256 67.685 68.868 0.122 0.000 0.863 327 T HN 0.463 nan 8.240 nan 0.000 0.424 328 P HA -0.124 nan 4.420 nan 0.000 0.219 328 P C 0.807 178.085 177.300 -0.035 0.000 1.146 328 P CA 1.473 64.570 63.100 -0.005 0.000 0.808 328 P CB -0.234 31.417 31.700 -0.080 0.000 0.779 329 H N -0.643 118.435 119.070 0.012 0.000 2.352 329 H HA -0.083 4.727 4.556 0.423 0.000 0.299 329 H C 1.953 177.298 175.328 0.029 0.000 1.097 329 H CA 1.505 57.557 56.048 0.007 0.000 1.311 329 H CB -0.976 28.776 29.762 -0.016 0.000 1.377 329 H HN -0.063 nan 8.280 nan 0.000 0.504 330 V N -0.336 119.678 119.914 0.167 0.000 2.591 330 V HA -0.159 4.216 4.120 0.425 0.000 0.249 330 V C 2.149 178.296 176.094 0.088 0.000 1.053 330 V CA 1.605 63.978 62.300 0.122 0.000 1.068 330 V CB -0.248 31.651 31.823 0.127 0.000 0.689 330 V HN 0.393 nan 8.190 nan 0.000 0.462 331 S N 1.099 116.845 115.700 0.076 0.000 2.382 331 S HA -0.132 4.593 4.470 0.425 0.000 0.228 331 S C 2.093 176.716 174.600 0.038 0.000 1.027 331 S CA 1.408 59.640 58.200 0.052 0.000 0.991 331 S CB -0.613 62.612 63.200 0.043 0.000 0.823 331 S HN 0.678 nan 8.310 nan 0.000 0.469 332 G N 1.410 110.231 108.800 0.036 0.000 2.402 332 G HA2 -0.130 4.085 3.960 0.425 0.000 0.216 332 G HA3 -0.130 4.085 3.960 0.425 0.000 0.216 332 G C 1.443 176.382 174.900 0.064 0.000 1.162 332 G CA 0.868 45.989 45.100 0.035 0.000 0.777 332 G HN 0.425 nan 8.290 nan 0.000 0.539 333 V N 0.772 120.729 119.914 0.073 0.000 2.295 333 V HA -0.184 4.191 4.120 0.425 0.000 0.246 333 V C 3.001 179.129 176.094 0.055 0.000 1.049 333 V CA 1.731 64.074 62.300 0.071 0.000 1.024 333 V CB -0.423 31.442 31.823 0.071 0.000 0.648 333 V HN 0.324 nan 8.190 nan 0.000 0.447 334 V N 0.407 120.348 119.914 0.046 0.000 2.515 334 V HA -0.164 4.211 4.120 0.425 0.000 0.250 334 V C 2.462 178.575 176.094 0.032 0.000 1.058 334 V CA 2.196 64.515 62.300 0.032 0.000 1.064 334 V CB -0.605 31.233 31.823 0.024 0.000 0.675 334 V HN 0.435 nan 8.190 nan 0.000 0.461 335 A N 0.402 123.241 122.820 0.032 0.000 1.877 335 A HA -0.099 4.476 4.320 0.425 0.000 0.216 335 A C 2.199 179.811 177.584 0.047 0.000 1.186 335 A CA 2.170 54.221 52.037 0.023 0.000 0.620 335 A CB -0.715 18.290 19.000 0.007 0.000 0.822 335 A HN 0.621 nan 8.150 nan 0.000 0.443 336 L N -0.615 120.649 121.223 0.069 0.000 2.012 336 L HA -0.228 4.367 4.340 0.425 0.000 0.210 336 L C 2.525 179.452 176.870 0.095 0.000 1.073 336 L CA 1.465 56.362 54.840 0.095 0.000 0.748 336 L CB -0.644 41.486 42.059 0.119 0.000 0.891 336 L HN 0.388 nan 8.230 nan 0.000 0.431 337 I N -0.750 119.868 120.570 0.080 0.000 2.069 337 I HA -0.334 4.091 4.170 0.425 0.000 0.237 337 I C 2.840 179.030 176.117 0.121 0.000 1.053 337 I CA 1.318 62.670 61.300 0.086 0.000 1.311 337 I CB -0.388 37.633 38.000 0.036 0.000 1.030 337 I HN 0.354 nan 8.210 nan 0.000 0.398 338 Q N 0.508 120.359 119.800 0.085 0.000 2.061 338 Q HA -0.197 4.398 4.340 0.425 0.000 0.204 338 Q C 2.417 178.516 176.000 0.165 0.000 0.984 338 Q CA 2.038 57.905 55.803 0.107 0.000 0.846 338 Q CB -0.683 28.081 28.738 0.044 0.000 0.902 338 Q HN 0.611 nan 8.270 nan 0.000 0.421 339 A N 0.908 123.796 122.820 0.113 0.000 1.933 339 A HA -0.059 4.516 4.320 0.425 0.000 0.218 339 A C 2.304 179.981 177.584 0.154 0.000 1.175 339 A CA 1.928 54.032 52.037 0.113 0.000 0.628 339 A CB -0.587 18.451 19.000 0.064 0.000 0.814 339 A HN 0.368 nan 8.150 nan 0.000 0.444 340 A N -1.844 121.066 122.820 0.150 0.000 1.897 340 A HA -0.032 4.543 4.320 0.425 0.000 0.215 340 A C 2.127 179.790 177.584 0.131 0.000 1.181 340 A CA 1.443 53.551 52.037 0.119 0.000 0.620 340 A CB -0.776 18.289 19.000 0.109 0.000 0.821 340 A HN 0.599 nan 8.150 nan 0.000 0.443 341 Y N -1.513 118.849 120.300 0.104 0.000 2.181 341 Y HA -0.267 4.540 4.550 0.428 0.000 0.288 341 Y C 2.262 178.263 175.900 0.168 0.000 1.146 341 Y CA 2.272 60.470 58.100 0.163 0.000 1.164 341 Y CB -0.408 38.164 38.460 0.186 0.000 0.982 341 Y HN 0.465 nan 8.280 nan 0.000 0.515 342 Y N 0.559 120.984 120.300 0.207 0.000 2.314 342 Y HA -0.203 4.602 4.550 0.425 0.000 0.293 342 Y C 2.613 178.517 175.900 0.008 0.000 1.129 342 Y CA 1.786 59.956 58.100 0.117 0.000 1.201 342 Y CB -0.447 38.075 38.460 0.103 0.000 0.999 342 Y HN 0.236 nan 8.280 nan 0.000 0.541 343 Q N 0.453 120.329 119.800 0.126 0.000 2.096 343 Q HA -0.275 4.320 4.340 0.425 0.000 0.204 343 Q C 2.180 178.087 176.000 -0.155 0.000 0.982 343 Q CA 2.259 58.070 55.803 0.014 0.000 0.850 343 Q CB -0.069 28.682 28.738 0.023 0.000 0.901 343 Q HN 0.521 nan 8.270 nan 0.000 0.422 344 K N -1.242 118.984 120.400 -0.290 0.000 2.108 344 K HA -0.006 4.569 4.320 0.425 0.000 0.204 344 K C 0.052 176.267 176.600 -0.641 0.000 1.036 344 K CA 0.317 56.289 56.287 -0.524 0.000 0.965 344 K CB 0.024 32.070 32.500 -0.756 0.000 0.804 344 K HN 0.058 nan 8.250 nan 0.000 0.454 345 Y N -0.588 119.507 120.300 -0.342 0.000 2.344 345 Y HA 0.355 5.160 4.550 0.425 0.000 0.330 345 Y C 1.395 177.103 175.900 -0.320 0.000 1.330 345 Y CA -0.758 57.147 58.100 -0.324 0.000 1.479 345 Y CB 0.686 38.894 38.460 -0.420 0.000 1.428 345 Y HN 0.125 nan 8.280 nan 0.000 0.544 346 G N 0.223 108.966 108.800 -0.095 0.000 3.591 346 G HA2 0.331 4.546 3.960 0.425 0.000 0.282 346 G HA3 0.331 4.546 3.960 0.425 0.000 0.282 346 G C -0.382 174.311 174.900 -0.345 0.000 1.238 346 G CA -0.218 44.685 45.100 -0.329 0.000 0.993 346 G HN 0.584 nan 8.290 nan 0.000 0.542 347 K N -0.894 119.454 120.400 -0.088 0.000 2.672 347 K HA 0.538 5.113 4.320 0.425 0.000 0.295 347 K C -1.078 175.817 176.600 0.493 0.000 1.042 347 K CA -1.104 55.343 56.287 0.265 0.000 0.869 347 K CB 0.917 33.532 32.500 0.191 0.000 1.541 347 K HN 0.079 nan 8.250 nan 0.000 0.396 348 I N -0.761 120.026 120.570 0.362 0.000 2.822 348 I HA 0.485 4.910 4.170 0.425 0.000 0.312 348 I C -0.808 175.282 176.117 -0.045 0.000 1.011 348 I CA -1.465 59.967 61.300 0.221 0.000 1.105 348 I CB 1.316 39.386 38.000 0.118 0.000 1.291 348 I HN 0.525 nan 8.210 nan 0.000 0.474 349 L N 3.528 124.566 121.223 -0.308 0.000 2.418 349 L HA 0.431 5.026 4.340 0.425 0.000 0.265 349 L C -1.983 174.770 176.870 -0.195 0.000 1.143 349 L CA -1.606 53.002 54.840 -0.387 0.000 0.809 349 L CB 0.342 42.085 42.059 -0.527 0.000 1.124 349 L HN 0.507 nan 8.230 nan 0.000 0.456 350 P HA -0.056 nan 4.420 nan 0.000 0.272 350 P C 0.714 177.931 177.300 -0.139 0.000 1.223 350 P CA -0.181 62.832 63.100 -0.145 0.000 0.784 350 P CB 1.106 32.731 31.700 -0.126 0.000 0.923 351 V N 1.561 121.380 119.914 -0.158 0.000 2.407 351 V HA 0.037 4.412 4.120 0.425 0.000 0.248 351 V C 0.998 177.094 176.094 0.004 0.000 1.055 351 V CA 2.519 64.770 62.300 -0.081 0.000 1.049 351 V CB -1.512 30.270 31.823 -0.069 0.000 0.662 351 V HN 1.106 nan 8.190 nan 0.000 0.455 352 G N -0.054 108.762 108.800 0.027 0.000 2.698 352 G HA2 -0.044 4.171 3.960 0.425 0.000 0.225 352 G HA3 -0.044 4.171 3.960 0.425 0.000 0.225 352 G C -0.078 174.948 174.900 0.210 0.000 1.345 352 G CA 0.245 45.388 45.100 0.071 0.000 0.871 352 G HN 1.695 nan 8.290 nan 0.000 0.540 353 T N -2.568 112.063 114.554 0.129 0.000 2.930 353 T HA 0.664 5.269 4.350 0.425 0.000 0.290 353 T C 1.454 176.223 174.700 0.114 0.000 1.052 353 T CA 0.412 62.584 62.100 0.120 0.000 1.017 353 T CB 1.605 70.464 68.868 -0.015 0.000 1.137 353 T HN 1.867 nan 8.240 nan 0.000 0.511 354 F N 1.195 121.226 119.950 0.136 0.000 2.192 354 F HA 0.006 4.821 4.527 0.481 0.000 0.301 354 F C 1.102 176.937 175.800 0.058 0.000 1.079 354 F CA 1.408 59.487 58.000 0.132 0.000 1.303 354 F CB -0.817 38.205 39.000 0.037 0.000 1.024 354 F HN 0.582 nan 8.300 nan 0.000 0.494 355 D N -1.150 118.810 120.400 -0.733 0.000 2.559 355 D HA 0.079 4.974 4.640 0.425 0.000 0.234 355 D C -0.388 175.794 176.300 -0.198 0.000 1.226 355 D CA -0.494 53.259 54.000 -0.412 0.000 0.830 355 D CB -0.902 39.553 40.800 -0.574 0.000 1.028 355 D HN 0.289 nan 8.370 nan 0.000 0.492 356 D N 0.904 121.268 120.400 -0.060 0.000 2.382 356 D HA 0.145 5.040 4.640 0.425 0.000 0.245 356 D C 0.493 176.818 176.300 0.042 0.000 1.120 356 D CA -0.124 53.875 54.000 -0.001 0.000 0.890 356 D CB 1.170 41.976 40.800 0.010 0.000 1.201 356 D HN 0.247 nan 8.370 nan 0.000 0.433 357 I N -0.107 120.457 120.570 -0.011 0.000 3.426 357 I HA 0.174 4.599 4.170 0.425 0.000 0.329 357 I C 0.084 176.190 176.117 -0.018 0.000 1.553 357 I CA -0.631 60.662 61.300 -0.012 0.000 1.019 357 I CB 0.366 38.376 38.000 0.018 0.000 1.376 357 I HN 0.083 nan 8.210 nan 0.000 0.525 358 S N 0.077 115.757 115.700 -0.033 0.000 2.759 358 S HA 0.625 5.350 4.470 0.425 0.000 0.310 358 S C 0.404 174.976 174.600 -0.046 0.000 1.123 358 S CA -0.658 57.522 58.200 -0.033 0.000 0.959 358 S CB 2.007 65.186 63.200 -0.035 0.000 1.172 358 S HN 0.251 nan 8.310 nan 0.000 0.539 359 K N 0.076 120.454 120.400 -0.037 0.000 2.399 359 K HA 0.330 4.905 4.320 0.425 0.000 0.204 359 K C -0.006 176.566 176.600 -0.047 0.000 1.023 359 K CA -0.176 56.091 56.287 -0.034 0.000 1.127 359 K CB 0.091 32.586 32.500 -0.008 0.000 0.856 359 K HN 0.461 nan 8.250 nan 0.000 0.514 360 N N 0.240 118.900 118.700 -0.066 0.000 2.214 360 N HA 0.033 5.028 4.740 0.425 0.000 0.214 360 N C -0.626 174.806 175.510 -0.130 0.000 1.132 360 N CA 0.253 53.251 53.050 -0.086 0.000 0.856 360 N CB 1.554 40.002 38.487 -0.063 0.000 1.020 360 N HN -0.130 nan 8.380 nan 0.000 0.509 361 T N -0.342 114.130 114.554 -0.136 0.000 3.295 361 T HA 0.164 4.768 4.350 0.425 0.000 0.331 361 T C 1.208 175.815 174.700 -0.154 0.000 1.142 361 T CA -0.484 61.534 62.100 -0.137 0.000 1.078 361 T CB 2.203 71.013 68.868 -0.096 0.000 1.150 361 T HN -0.335 nan 8.240 nan 0.000 0.465 362 V N 4.175 123.997 119.914 -0.154 0.000 2.250 362 V HA -0.258 4.117 4.120 0.425 0.000 0.250 362 V C 2.577 178.564 176.094 -0.179 0.000 1.060 362 V CA 2.028 64.245 62.300 -0.137 0.000 1.030 362 V CB -0.447 31.319 31.823 -0.094 0.000 0.643 362 V HN 0.740 nan 8.190 nan 0.000 0.445 363 R N -0.146 120.243 120.500 -0.186 0.000 2.081 363 R HA -0.082 4.513 4.340 0.425 0.000 0.235 363 R C 2.493 178.335 176.300 -0.763 0.000 1.131 363 R CA 1.383 57.253 56.100 -0.383 0.000 0.960 363 R CB -0.901 29.325 30.300 -0.124 0.000 0.856 363 R HN 0.611 nan 8.270 nan 0.000 0.436 364 G N 1.151 109.731 108.800 -0.366 0.000 2.440 364 G HA2 -0.255 3.960 3.960 0.425 0.000 0.218 364 G HA3 -0.255 3.960 3.960 0.425 0.000 0.218 364 G C 1.368 176.119 174.900 -0.248 0.000 1.154 364 G CA 0.843 45.791 45.100 -0.254 0.000 0.767 364 G HN 0.134 nan 8.290 nan 0.000 0.552 365 I N 0.414 120.862 120.570 -0.203 0.000 2.202 365 I HA -0.084 4.341 4.170 0.425 0.000 0.242 365 I C 2.740 178.775 176.117 -0.137 0.000 1.091 365 I CA 0.591 61.816 61.300 -0.127 0.000 1.368 365 I CB -0.231 37.718 38.000 -0.084 0.000 1.058 365 I HN 0.104 nan 8.210 nan 0.000 0.410 366 L N -0.230 120.865 121.223 -0.214 0.000 2.013 366 L HA -0.304 4.291 4.340 0.425 0.000 0.212 366 L C 2.788 179.598 176.870 -0.101 0.000 1.073 366 L CA 1.423 56.168 54.840 -0.159 0.000 0.753 366 L CB -0.923 41.027 42.059 -0.182 0.000 0.890 366 L HN 0.398 nan 8.230 nan 0.000 0.432 367 H N -0.326 118.628 119.070 -0.194 0.000 2.299 367 H HA -0.116 4.694 4.556 0.423 0.000 0.302 367 H C 2.145 177.356 175.328 -0.195 0.000 1.078 367 H CA 1.860 57.651 56.048 -0.428 0.000 1.323 367 H CB -0.593 28.515 29.762 -1.091 0.000 1.381 367 H HN 0.488 nan 8.280 nan 0.000 0.498 368 I N 0.126 120.677 120.570 -0.032 0.000 2.928 368 I HA -0.025 4.400 4.170 0.425 0.000 0.266 368 I C 1.569 177.703 176.117 0.029 0.000 1.234 368 I CA 1.449 62.757 61.300 0.014 0.000 1.483 368 I CB -0.361 37.639 38.000 0.000 0.000 1.097 368 I HN 0.099 nan 8.210 nan 0.000 0.455 369 T N -1.470 113.095 114.554 0.018 0.000 3.092 369 T HA 0.634 5.239 4.350 0.425 0.000 0.258 369 T C 0.772 175.498 174.700 0.043 0.000 1.031 369 T CA 0.007 62.122 62.100 0.025 0.000 0.925 369 T CB -0.368 68.507 68.868 0.012 0.000 1.036 369 T HN 0.374 nan 8.240 nan 0.000 0.544 370 A N 1.403 124.267 122.820 0.074 0.000 2.388 370 A HA 0.360 4.935 4.320 0.425 0.000 0.257 370 A C 0.315 177.941 177.584 0.070 0.000 1.095 370 A CA -0.539 51.554 52.037 0.094 0.000 0.791 370 A CB 0.049 19.151 19.000 0.170 0.000 1.029 370 A HN 0.345 nan 8.150 nan 0.000 0.489 371 D N 1.544 121.967 120.400 0.039 0.000 2.383 371 D HA -0.015 4.880 4.640 0.425 0.000 0.275 371 D C -0.621 175.660 176.300 -0.031 0.000 1.344 371 D CA 0.468 54.466 54.000 -0.002 0.000 0.984 371 D CB 0.335 41.125 40.800 -0.017 0.000 1.104 371 D HN 0.475 nan 8.370 nan 0.000 0.524 372 D N 4.740 125.124 120.400 -0.027 0.000 2.435 372 D HA 0.100 4.995 4.640 0.425 0.000 0.230 372 D C 0.117 176.320 176.300 -0.161 0.000 1.215 372 D CA -0.226 53.745 54.000 -0.049 0.000 0.947 372 D CB -0.127 40.678 40.800 0.009 0.000 1.048 372 D HN 0.355 nan 8.370 nan 0.000 0.512 373 L N 2.131 123.148 121.223 -0.343 0.000 2.488 373 L HA 0.645 5.240 4.340 0.425 0.000 0.249 373 L C 1.689 178.248 176.870 -0.517 0.000 1.151 373 L CA -0.377 54.128 54.840 -0.559 0.000 0.806 373 L CB 0.330 41.784 42.059 -1.008 0.000 1.261 373 L HN 0.542 nan 8.230 nan 0.000 0.484 374 G N -0.051 108.507 108.800 -0.404 0.000 2.697 374 G HA2 -0.192 4.023 3.960 0.425 0.000 0.240 374 G HA3 -0.192 4.023 3.960 0.425 0.000 0.240 374 G C -2.528 172.333 174.900 -0.066 0.000 1.346 374 G CA -0.964 44.081 45.100 -0.091 0.000 0.887 374 G HN 0.493 nan 8.290 nan 0.000 0.569 375 P HA 0.132 nan 4.420 nan 0.000 0.269 375 P C 1.327 178.605 177.300 -0.037 0.000 1.200 375 P CA 0.828 63.910 63.100 -0.031 0.000 0.779 375 P CB 0.131 31.811 31.700 -0.033 0.000 0.841 376 T N 0.235 114.778 114.554 -0.017 0.000 2.674 376 T HA -0.019 4.586 4.350 0.425 0.000 0.265 376 T C 1.163 175.871 174.700 0.013 0.000 1.039 376 T CA 1.831 63.928 62.100 -0.005 0.000 1.150 376 T CB -0.607 68.266 68.868 0.008 0.000 0.864 376 T HN 0.602 nan 8.240 nan 0.000 0.427 377 G N -0.870 107.947 108.800 0.028 0.000 2.582 377 G HA2 0.344 4.559 3.960 0.425 0.000 0.232 377 G HA3 0.344 4.559 3.960 0.425 0.000 0.232 377 G C -0.744 174.167 174.900 0.018 0.000 1.458 377 G CA -0.841 44.298 45.100 0.065 0.000 1.062 377 G HN 0.538 nan 8.290 nan 0.000 0.566 378 W N 1.854 122.995 121.300 -0.264 0.000 2.343 378 W HA 0.337 5.252 4.660 0.425 0.000 0.337 378 W C -0.159 176.236 176.519 -0.206 0.000 1.320 378 W CA 0.422 57.489 57.345 -0.463 0.000 1.290 378 W CB 0.113 29.048 29.460 -0.875 0.000 1.206 378 W HN 0.623 nan 8.180 nan 0.000 0.565 379 D N 3.009 122.833 120.400 -0.960 0.000 2.547 379 D HA 0.534 5.429 4.640 0.425 0.000 0.231 379 D C 0.511 175.930 176.300 -1.469 0.000 1.099 379 D CA -0.358 53.066 54.000 -0.961 0.000 0.901 379 D CB 1.453 42.028 40.800 -0.377 0.000 1.478 379 D HN 0.381 nan 8.370 nan 0.000 0.471 380 A N 0.627 122.836 122.820 -1.019 0.000 2.131 380 A HA -0.187 4.388 4.320 0.425 0.000 0.220 380 A C 1.354 178.677 177.584 -0.434 0.000 1.158 380 A CA 1.511 53.166 52.037 -0.636 0.000 0.665 380 A CB -0.590 18.252 19.000 -0.264 0.000 0.795 380 A HN 0.635 nan 8.150 nan 0.000 0.460 381 D N -1.601 118.539 120.400 -0.433 0.000 2.232 381 D HA -0.008 4.887 4.640 0.425 0.000 0.220 381 D C 1.319 177.324 176.300 -0.491 0.000 0.982 381 D CA 1.256 54.982 54.000 -0.457 0.000 0.892 381 D CB -0.277 40.194 40.800 -0.550 0.000 1.040 381 D HN 0.576 nan 8.370 nan 0.000 0.463 382 Y N 0.669 120.803 120.300 -0.278 0.000 2.500 382 Y HA 0.255 5.061 4.550 0.425 0.000 0.270 382 Y C 1.794 177.581 175.900 -0.188 0.000 1.134 382 Y CA 0.295 58.285 58.100 -0.184 0.000 1.293 382 Y CB 0.212 38.589 38.460 -0.137 0.000 1.063 382 Y HN 0.060 nan 8.280 nan 0.000 0.534 383 G N 0.397 109.009 108.800 -0.314 0.000 2.550 383 G HA2 -0.404 3.811 3.960 0.425 0.000 0.277 383 G HA3 -0.404 3.811 3.960 0.425 0.000 0.277 383 G C 0.591 175.324 174.900 -0.278 0.000 1.190 383 G CA 0.588 45.450 45.100 -0.397 0.000 0.971 383 G HN 0.317 nan 8.290 nan 0.000 0.559 384 Y N 2.026 122.463 120.300 0.228 0.000 2.421 384 Y HA 0.302 5.104 4.550 0.420 0.000 0.292 384 Y C 2.182 178.148 175.900 0.111 0.000 1.136 384 Y CA 2.502 60.720 58.100 0.196 0.000 1.255 384 Y CB -0.249 38.361 38.460 0.249 0.000 0.991 384 Y HN 1.688 nan 8.280 nan 0.000 0.552 385 G N -1.036 107.910 108.800 0.243 0.000 2.316 385 G HA2 -0.053 4.162 3.960 0.425 0.000 0.349 385 G HA3 -0.053 4.162 3.960 0.425 0.000 0.349 385 G C -1.606 173.390 174.900 0.160 0.000 1.274 385 G CA -0.789 44.398 45.100 0.144 0.000 1.018 385 G HN -0.153 nan 8.290 nan 0.000 0.486 386 V N 1.892 121.864 119.914 0.096 0.000 2.415 386 V HA 0.413 4.788 4.120 0.425 0.000 0.267 386 V C 1.555 177.698 176.094 0.082 0.000 1.042 386 V CA 0.153 62.509 62.300 0.094 0.000 1.000 386 V CB 0.482 32.345 31.823 0.068 0.000 1.015 386 V HN 1.681 nan 8.190 nan 0.000 0.478 387 V N 4.274 124.244 119.914 0.094 0.000 2.843 387 V HA 0.244 4.619 4.120 0.425 0.000 0.305 387 V C 0.167 176.292 176.094 0.053 0.000 1.120 387 V CA -0.135 62.213 62.300 0.081 0.000 1.254 387 V CB -0.065 31.812 31.823 0.089 0.000 0.901 387 V HN 0.892 nan 8.190 nan 0.000 0.503 388 R N 3.315 123.840 120.500 0.042 0.000 2.483 388 R HA 0.702 5.296 4.340 0.425 0.000 0.303 388 R C 0.761 177.073 176.300 0.019 0.000 0.987 388 R CA 0.217 56.331 56.100 0.024 0.000 0.881 388 R CB 1.710 32.020 30.300 0.016 0.000 1.177 388 R HN 0.924 nan 8.270 nan 0.000 0.451 389 A N 2.432 125.260 122.820 0.013 0.000 1.897 389 A HA -0.055 4.520 4.320 0.425 0.000 0.215 389 A C 1.983 179.570 177.584 0.006 0.000 1.181 389 A CA 1.716 53.764 52.037 0.019 0.000 0.620 389 A CB -0.431 18.585 19.000 0.028 0.000 0.821 389 A HN 0.745 nan 8.150 nan 0.000 0.443 390 A N -0.319 122.489 122.820 -0.020 0.000 1.902 390 A HA -0.042 4.533 4.320 0.425 0.000 0.217 390 A C 2.126 179.708 177.584 -0.004 0.000 1.181 390 A CA 1.587 53.608 52.037 -0.026 0.000 0.623 390 A CB -0.571 18.396 19.000 -0.054 0.000 0.818 390 A HN 0.445 nan 8.150 nan 0.000 0.443 391 L N -0.879 120.345 121.223 0.001 0.000 2.156 391 L HA -0.067 4.528 4.340 0.425 0.000 0.208 391 L C 2.988 179.868 176.870 0.017 0.000 1.095 391 L CA 0.821 55.666 54.840 0.009 0.000 0.770 391 L CB -0.376 41.688 42.059 0.009 0.000 0.914 391 L HN 0.404 nan 8.230 nan 0.000 0.439 392 A N -0.392 122.439 122.820 0.017 0.000 1.908 392 A HA -0.156 4.419 4.320 0.425 0.000 0.218 392 A C 2.311 179.919 177.584 0.040 0.000 1.181 392 A CA 2.022 54.071 52.037 0.020 0.000 0.627 392 A CB -0.743 18.268 19.000 0.018 0.000 0.818 392 A HN 0.183 nan 8.150 nan 0.000 0.445 393 V N -0.335 119.606 119.914 0.046 0.000 2.273 393 V HA -0.266 4.109 4.120 0.425 0.000 0.242 393 V C 2.613 178.752 176.094 0.075 0.000 1.035 393 V CA 1.952 64.294 62.300 0.069 0.000 1.013 393 V CB -0.924 30.934 31.823 0.059 0.000 0.652 393 V HN 0.723 nan 8.190 nan 0.000 0.452 394 Q N 0.207 120.036 119.800 0.048 0.000 2.084 394 Q HA -0.383 4.212 4.340 0.425 0.000 0.215 394 Q C 2.229 178.265 176.000 0.061 0.000 1.020 394 Q CA 2.961 58.791 55.803 0.045 0.000 0.887 394 Q CB -0.402 28.351 28.738 0.025 0.000 0.975 394 Q HN 0.626 nan 8.270 nan 0.000 0.413 395 A N 0.262 123.114 122.820 0.054 0.000 1.908 395 A HA -0.152 4.423 4.320 0.425 0.000 0.218 395 A C 2.224 179.865 177.584 0.094 0.000 1.181 395 A CA 2.141 54.212 52.037 0.056 0.000 0.627 395 A CB -0.882 18.137 19.000 0.031 0.000 0.818 395 A HN 0.615 nan 8.150 nan 0.000 0.445 396 A N -0.589 122.308 122.820 0.128 0.000 1.872 396 A HA 0.100 4.675 4.320 0.425 0.000 0.214 396 A C 1.986 179.794 177.584 0.374 0.000 1.187 396 A CA 1.283 53.464 52.037 0.241 0.000 0.614 396 A CB -0.454 18.696 19.000 0.250 0.000 0.826 396 A HN 0.438 nan 8.150 nan 0.000 0.442 397 L N -0.233 121.141 121.223 0.252 0.000 2.599 397 L HA 0.094 4.689 4.340 0.425 0.000 0.230 397 L C 1.566 178.540 176.870 0.173 0.000 1.141 397 L CA -0.040 54.919 54.840 0.199 0.000 0.877 397 L CB -0.673 41.426 42.059 0.067 0.000 1.009 397 L HN 0.460 nan 8.230 nan 0.000 0.447 398 G N 0.000 108.890 108.800 0.150 0.000 5.446 398 G HA2 0.000 4.215 3.960 0.425 0.000 0.244 398 G HA3 0.000 4.215 3.960 0.425 0.000 0.244 398 G CA 0.000 45.160 45.100 0.101 0.000 0.502 398 G HN 0.000 nan 8.290 nan 0.000 0.925