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 1nwt_1_B DATA FIRST_RESID 22 DATA SEQUENCE YKLVcYYTSW SQYREGDGSC FPDALDRFLc THIIYSFANI SNDHIDTWEW DATA SEQUENCE NDVTLYGMLN TLKNRNPNLK TLLSVGGWNF GSQRFSKIAS NTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKQHFT TLIKEMKAEF IKEAQPGKKQ DATA SEQUENCE LLLSAALSAG KVTIDSSYDI AKISQHLDFI SIMTYDFHGA WRGTTGHHSP DATA SEQUENCE LFRGQEDASP DRFSNTDYAV GYMLRLGAPA SKLVMGIPTF GRSFTLASSE DATA SEQUENCE TGVGAPISGP GIPGRFTKEA GTLAYYEIcD FLRGATVHRI LGQQVPYATK DATA SEQUENCE GNQWVGYDDQ ESVKSKVQYL KDRQLAGAMV WALDLDDFQG SFcGQDLRFP DATA SEQUENCE LTNAIKDALA AT 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 22 Y HA 0.000 nan 4.550 nan 0.000 0.201 22 Y C 0.000 175.888 175.900 -0.021 0.000 1.272 22 Y CA 0.000 58.092 58.100 -0.014 0.000 1.940 22 Y CB 0.000 38.453 38.460 -0.011 0.000 1.050 23 K N 1.891 122.357 120.400 0.111 0.000 2.174 23 K HA 0.583 4.902 4.320 -0.001 0.000 0.275 23 K C -1.204 175.376 176.600 -0.032 0.000 1.015 23 K CA -0.804 55.464 56.287 -0.031 0.000 0.933 23 K CB 1.296 33.604 32.500 -0.319 0.000 1.025 23 K HN 0.424 nan 8.250 nan 0.000 0.463 24 L N 3.931 125.152 121.223 -0.004 0.000 2.457 24 L HA 0.215 4.554 4.340 -0.001 0.000 0.252 24 L C -1.269 175.594 176.870 -0.011 0.000 1.132 24 L CA -0.589 54.252 54.840 0.002 0.000 0.938 24 L CB 1.212 43.294 42.059 0.039 0.000 1.246 24 L HN 0.276 nan 8.230 nan 0.000 0.476 25 V N 3.152 123.010 119.914 -0.093 0.000 2.470 25 V HA 0.241 4.361 4.120 -0.001 0.000 0.276 25 V C 0.134 176.228 176.094 0.001 0.000 1.040 25 V CA -0.112 62.135 62.300 -0.088 0.000 1.008 25 V CB 0.526 32.241 31.823 -0.180 0.000 0.990 25 V HN 0.790 nan 8.190 nan 0.000 0.477 26 c N 5.438 124.023 118.600 -0.025 0.000 2.408 26 c HA 0.609 5.178 4.570 -0.001 0.000 0.321 26 c C -0.252 173.794 174.090 -0.073 0.000 1.245 26 c CA -1.220 55.112 56.329 0.005 0.000 1.523 26 c CB 0.600 43.102 42.510 -0.013 0.000 2.178 26 c HN 0.750 nan 8.230 nan 0.000 0.488 27 Y N 1.106 121.396 120.300 -0.016 0.000 2.320 27 Y HA 0.496 5.045 4.550 -0.001 0.000 0.324 27 Y C -0.090 175.607 175.900 -0.337 0.000 1.190 27 Y CA 0.040 58.038 58.100 -0.170 0.000 1.215 27 Y CB 0.798 39.094 38.460 -0.274 0.000 1.221 27 Y HN 0.705 nan 8.280 nan 0.000 0.486 28 Y N 2.102 122.189 120.300 -0.355 0.000 2.406 28 Y HA 0.449 4.998 4.550 -0.001 0.000 0.340 28 Y C -0.601 174.798 175.900 -0.835 0.000 0.975 28 Y CA -1.220 56.563 58.100 -0.528 0.000 1.056 28 Y CB 1.382 39.627 38.460 -0.358 0.000 1.210 28 Y HN 0.635 nan 8.280 nan 0.000 0.448 29 T N 1.237 114.667 114.554 -1.872 0.000 2.795 29 T HA 0.281 4.630 4.350 -0.001 0.000 0.282 29 T C 0.945 174.395 174.700 -2.085 0.000 0.980 29 T CA -0.072 60.752 62.100 -2.127 0.000 1.012 29 T CB 1.312 68.528 68.868 -2.754 0.000 0.936 29 T HN 0.769 nan 8.240 nan 0.000 0.457 30 S N 1.720 116.564 115.700 -1.425 0.000 2.474 30 S HA -0.099 4.371 4.470 -0.001 0.000 0.235 30 S C 1.398 175.710 174.600 -0.479 0.000 0.997 30 S CA 0.477 58.227 58.200 -0.751 0.000 0.949 30 S CB -0.895 62.168 63.200 -0.229 0.000 0.766 30 S HN 1.012 nan 8.310 nan 0.000 0.517 31 W N 2.213 123.289 121.300 -0.374 0.000 3.290 31 W HA 0.407 5.067 4.660 -0.001 0.000 0.287 31 W C 1.715 178.101 176.519 -0.222 0.000 1.288 31 W CA 0.038 57.292 57.345 -0.150 0.000 1.725 31 W CB -0.743 28.744 29.460 0.045 0.000 1.103 31 W HN 0.279 nan 8.180 nan 0.000 0.670 32 S N 0.981 116.281 115.700 -0.666 0.000 2.481 32 S HA -0.264 4.205 4.470 -0.001 0.000 0.231 32 S C 1.784 176.156 174.600 -0.379 0.000 0.996 32 S CA 1.089 59.014 58.200 -0.458 0.000 0.942 32 S CB -0.804 62.003 63.200 -0.656 0.000 0.768 32 S HN 0.683 nan 8.310 nan 0.000 0.520 33 Q N 0.118 119.536 119.800 -0.637 0.000 2.226 33 Q HA -0.122 4.218 4.340 -0.001 0.000 0.204 33 Q C 0.976 176.746 176.000 -0.382 0.000 0.975 33 Q CA 1.251 56.539 55.803 -0.858 0.000 0.866 33 Q CB -0.821 27.069 28.738 -1.414 0.000 0.915 33 Q HN 0.681 nan 8.270 nan 0.000 0.440 34 Y N 1.021 121.332 120.300 0.018 0.000 2.529 34 Y HA 0.246 4.795 4.550 -0.001 0.000 0.290 34 Y C 0.307 176.308 175.900 0.168 0.000 1.177 34 Y CA -0.352 57.834 58.100 0.144 0.000 1.305 34 Y CB 0.031 38.601 38.460 0.183 0.000 1.047 34 Y HN -0.022 nan 8.280 nan 0.000 0.522 35 R N 1.433 122.092 120.500 0.265 0.000 2.438 35 R HA 0.094 4.434 4.340 -0.001 0.000 0.287 35 R C 0.309 176.807 176.300 0.331 0.000 1.077 35 R CA -0.331 55.952 56.100 0.304 0.000 1.034 35 R CB 0.502 30.985 30.300 0.304 0.000 0.993 35 R HN 0.305 nan 8.270 nan 0.000 0.459 36 E N 1.132 121.541 120.200 0.348 0.000 2.508 36 E HA -0.129 4.220 4.350 -0.001 0.000 0.266 36 E C 1.136 177.989 176.600 0.421 0.000 1.010 36 E CA 0.866 57.462 56.400 0.327 0.000 0.955 36 E CB 0.389 30.228 29.700 0.232 0.000 0.946 36 E HN 0.783 nan 8.360 nan 0.000 0.454 37 G N 3.861 112.851 108.800 0.316 0.000 2.685 37 G HA2 -0.422 3.537 3.960 -0.001 0.000 0.357 37 G HA3 -0.422 3.537 3.960 -0.001 0.000 0.357 37 G C 0.577 175.625 174.900 0.246 0.000 1.272 37 G CA 0.757 46.030 45.100 0.288 0.000 0.972 37 G HN 0.767 nan 8.290 nan 0.000 0.550 38 D N 1.515 122.027 120.400 0.187 0.000 2.384 38 D HA 0.016 4.655 4.640 -0.001 0.000 0.222 38 D C 2.306 178.490 176.300 -0.194 0.000 0.976 38 D CA 1.319 55.305 54.000 -0.022 0.000 0.915 38 D CB -0.739 40.007 40.800 -0.091 0.000 0.896 38 D HN 0.544 nan 8.370 nan 0.000 0.523 39 G N 0.376 109.098 108.800 -0.130 0.000 2.448 39 G HA2 -0.146 3.813 3.960 -0.001 0.000 0.218 39 G HA3 -0.146 3.813 3.960 -0.001 0.000 0.218 39 G C 0.869 175.905 174.900 0.228 0.000 1.135 39 G CA 0.012 45.062 45.100 -0.083 0.000 0.784 39 G HN 0.251 nan 8.290 nan 0.000 0.543 40 S N -0.405 115.441 115.700 0.243 0.000 2.525 40 S HA 0.242 4.711 4.470 -0.001 0.000 0.285 40 S C -0.236 174.472 174.600 0.179 0.000 1.283 40 S CA -0.398 57.916 58.200 0.190 0.000 1.072 40 S CB 0.017 63.376 63.200 0.264 0.000 0.867 40 S HN 0.366 nan 8.310 nan 0.000 0.492 41 C N 7.410 126.624 119.300 -0.144 0.000 2.397 41 C HA 0.756 5.215 4.460 -0.001 0.000 0.325 41 C C -1.082 173.751 174.990 -0.262 0.000 1.201 41 C CA -0.878 57.928 59.018 -0.352 0.000 1.377 41 C CB -0.717 26.393 27.740 -1.051 0.000 2.038 41 C HN 0.852 nan 8.230 nan 0.000 0.457 42 F N 5.470 125.370 119.950 -0.084 0.000 2.507 42 F HA 0.491 5.017 4.527 -0.002 0.000 0.327 42 F C -1.375 174.274 175.800 -0.251 0.000 1.068 42 F CA -1.928 56.029 58.000 -0.073 0.000 0.965 42 F CB 1.378 40.350 39.000 -0.046 0.000 1.192 42 F HN 0.374 nan 8.300 nan 0.000 0.476 43 P HA -0.214 nan 4.420 nan 0.000 0.217 43 P C 0.934 178.113 177.300 -0.201 0.000 1.148 43 P CA 1.696 64.516 63.100 -0.467 0.000 0.834 43 P CB 0.022 31.536 31.700 -0.311 0.000 0.783 44 D N -0.843 119.522 120.400 -0.059 0.000 2.371 44 D HA -0.048 4.591 4.640 -0.001 0.000 0.221 44 D C 1.333 177.642 176.300 0.015 0.000 0.986 44 D CA 0.722 54.702 54.000 -0.033 0.000 0.899 44 D CB -0.594 40.192 40.800 -0.022 0.000 0.902 44 D HN 0.139 nan 8.370 nan 0.000 0.530 45 A N 0.234 123.083 122.820 0.049 0.000 2.275 45 A HA 0.255 4.574 4.320 -0.001 0.000 0.212 45 A C 1.113 178.842 177.584 0.242 0.000 1.201 45 A CA -0.330 51.799 52.037 0.153 0.000 0.843 45 A CB -0.169 18.955 19.000 0.206 0.000 0.873 45 A HN 0.208 nan 8.150 nan 0.000 0.492 46 L N 0.820 122.095 121.223 0.087 0.000 2.326 46 L HA 0.219 4.559 4.340 -0.001 0.000 0.278 46 L C -0.211 176.613 176.870 -0.077 0.000 1.092 46 L CA -0.758 54.091 54.840 0.014 0.000 0.810 46 L CB 0.858 42.809 42.059 -0.180 0.000 1.153 46 L HN 0.145 nan 8.230 nan 0.000 0.439 47 D N 2.906 123.183 120.400 -0.206 0.000 2.346 47 D HA 0.005 4.644 4.640 -0.001 0.000 0.260 47 D C 1.288 177.462 176.300 -0.211 0.000 1.252 47 D CA -0.252 53.666 54.000 -0.136 0.000 0.895 47 D CB 0.928 41.651 40.800 -0.128 0.000 1.097 47 D HN 0.514 nan 8.370 nan 0.000 0.489 48 R N 2.794 123.147 120.500 -0.246 0.000 2.241 48 R HA -0.095 4.244 4.340 -0.001 0.000 0.224 48 R C 0.848 176.858 176.300 -0.483 0.000 1.101 48 R CA 1.106 56.959 56.100 -0.412 0.000 0.995 48 R CB -0.285 29.673 30.300 -0.570 0.000 0.870 48 R HN 0.279 nan 8.270 nan 0.000 0.463 49 F N -0.143 119.760 119.950 -0.079 0.000 2.721 49 F HA 0.206 4.732 4.527 -0.002 0.000 0.301 49 F C 1.578 177.337 175.800 -0.068 0.000 1.096 49 F CA -0.624 57.340 58.000 -0.061 0.000 1.308 49 F CB 0.110 39.088 39.000 -0.037 0.000 1.086 49 F HN -0.047 nan 8.300 nan 0.000 0.587 50 L N -0.281 120.954 121.223 0.020 0.000 1.994 50 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 50 L C 0.924 177.776 176.870 -0.030 0.000 1.071 50 L CA 1.431 56.245 54.840 -0.043 0.000 0.745 50 L CB -0.324 41.599 42.059 -0.226 0.000 0.892 50 L HN 0.082 nan 8.230 nan 0.000 0.431 51 c N -1.985 116.576 118.600 -0.064 0.000 2.423 51 c HA 0.510 5.079 4.570 -0.001 0.000 0.378 51 c C 1.954 176.044 174.090 0.001 0.000 1.244 51 c CA 0.029 56.344 56.329 -0.023 0.000 1.978 51 c CB 1.241 43.725 42.510 -0.043 0.000 2.252 51 c HN 0.596 nan 8.230 nan 0.000 0.526 52 T N -2.367 112.224 114.554 0.061 0.000 3.039 52 T HA 0.129 4.478 4.350 -0.001 0.000 0.250 52 T C 0.050 174.728 174.700 -0.037 0.000 1.052 52 T CA 0.873 63.013 62.100 0.067 0.000 1.125 52 T CB -0.196 68.799 68.868 0.211 0.000 0.908 52 T HN 0.770 nan 8.240 nan 0.000 0.473 53 H N -0.156 118.876 119.070 -0.063 0.000 2.782 53 H HA 0.635 5.191 4.556 -0.001 0.000 0.347 53 H C -1.171 174.122 175.328 -0.058 0.000 1.038 53 H CA -1.025 54.997 56.048 -0.044 0.000 1.255 53 H CB 1.374 31.109 29.762 -0.045 0.000 1.623 53 H HN 0.202 nan 8.280 nan 0.000 0.525 54 I N 4.514 125.116 120.570 0.054 0.000 2.382 54 I HA 0.322 4.492 4.170 -0.001 0.000 0.286 54 I C -0.371 175.776 176.117 0.051 0.000 1.002 54 I CA -0.437 60.868 61.300 0.008 0.000 1.135 54 I CB 1.210 39.194 38.000 -0.026 0.000 1.288 54 I HN 0.410 nan 8.210 nan 0.000 0.448 55 I N 6.193 126.729 120.570 -0.056 0.000 2.359 55 I HA 0.226 4.395 4.170 -0.001 0.000 0.294 55 I C -0.662 175.502 176.117 0.077 0.000 0.987 55 I CA -0.772 60.503 61.300 -0.041 0.000 1.225 55 I CB 1.320 39.102 38.000 -0.364 0.000 1.366 55 I HN 0.456 nan 8.210 nan 0.000 0.466 56 Y N 5.314 125.653 120.300 0.065 0.000 2.336 56 Y HA 0.288 4.837 4.550 -0.001 0.000 0.335 56 Y C -0.049 175.835 175.900 -0.026 0.000 1.046 56 Y CA 0.192 58.348 58.100 0.094 0.000 1.198 56 Y CB 1.009 39.601 38.460 0.220 0.000 1.182 56 Y HN 0.500 nan 8.280 nan 0.000 0.502 57 S N 6.365 121.764 115.700 -0.501 0.000 2.561 57 S HA 0.632 5.101 4.470 -0.001 0.000 0.303 57 S C -1.403 172.854 174.600 -0.572 0.000 1.110 57 S CA -0.543 57.200 58.200 -0.763 0.000 1.034 57 S CB 0.734 63.054 63.200 -1.467 0.000 1.010 57 S HN 0.516 nan 8.310 nan 0.000 0.482 58 F N 0.897 120.877 119.950 0.049 0.000 2.640 58 F HA 0.787 5.313 4.527 -0.001 0.000 0.324 58 F C 0.346 176.300 175.800 0.257 0.000 1.077 58 F CA -0.975 57.106 58.000 0.136 0.000 0.965 58 F CB 1.297 40.310 39.000 0.022 0.000 1.351 58 F HN 0.621 nan 8.300 nan 0.000 0.487 59 A N 1.323 124.446 122.820 0.504 0.000 2.295 59 A HA 0.620 4.939 4.320 -0.001 0.000 0.318 59 A C -0.653 177.237 177.584 0.509 0.000 1.134 59 A CA -0.434 51.879 52.037 0.460 0.000 0.827 59 A CB 0.842 19.990 19.000 0.247 0.000 1.136 59 A HN 0.723 nan 8.150 nan 0.000 0.493 60 N N -0.467 118.557 118.700 0.540 0.000 2.530 60 N HA 0.649 5.388 4.740 -0.001 0.000 0.283 60 N C -1.100 174.552 175.510 0.238 0.000 1.238 60 N CA -0.526 52.846 53.050 0.535 0.000 0.971 60 N CB 0.784 39.473 38.487 0.336 0.000 1.195 60 N HN 0.474 nan 8.380 nan 0.000 0.583 61 I N 0.692 121.385 120.570 0.205 0.000 2.503 61 I HA 0.219 4.388 4.170 -0.001 0.000 0.282 61 I C -0.889 175.240 176.117 0.020 0.000 1.059 61 I CA -0.412 60.932 61.300 0.074 0.000 1.081 61 I CB 1.547 39.505 38.000 -0.071 0.000 1.210 61 I HN 0.235 nan 8.210 nan 0.000 0.450 62 S N 4.917 120.642 115.700 0.041 0.000 2.502 62 S HA 0.402 4.871 4.470 -0.001 0.000 0.304 62 S C 0.319 174.959 174.600 0.066 0.000 1.097 62 S CA -0.508 57.699 58.200 0.012 0.000 1.045 62 S CB 1.155 64.351 63.200 -0.007 0.000 1.019 62 S HN 0.733 nan 8.310 nan 0.000 0.481 63 N N 2.735 121.459 118.700 0.040 0.000 2.735 63 N HA -0.156 4.583 4.740 -0.001 0.000 0.248 63 N C -0.781 174.863 175.510 0.222 0.000 1.083 63 N CA 1.100 54.204 53.050 0.090 0.000 0.703 63 N CB -1.087 37.431 38.487 0.051 0.000 1.005 63 N HN 0.836 nan 8.380 nan 0.000 0.550 64 D N -2.492 117.980 120.400 0.121 0.000 3.012 64 D HA -0.200 4.439 4.640 -0.001 0.000 0.222 64 D C -0.214 176.188 176.300 0.169 0.000 1.167 64 D CA 1.358 55.415 54.000 0.096 0.000 0.854 64 D CB -1.483 39.356 40.800 0.066 0.000 1.107 64 D HN 0.665 nan 8.370 nan 0.000 0.421 65 H N -0.458 118.684 119.070 0.120 0.000 2.524 65 H HA 0.574 5.130 4.556 -0.002 0.000 0.353 65 H C 0.335 175.725 175.328 0.104 0.000 1.136 65 H CA -0.758 55.368 56.048 0.131 0.000 1.193 65 H CB 1.534 31.341 29.762 0.075 0.000 1.558 65 H HN 0.086 nan 8.280 nan 0.000 0.515 66 I N 1.972 122.617 120.570 0.126 0.000 2.588 66 I HA 0.106 4.275 4.170 -0.001 0.000 0.283 66 I C -0.463 175.433 176.117 -0.369 0.000 1.119 66 I CA 0.668 61.918 61.300 -0.084 0.000 1.419 66 I CB 0.234 38.063 38.000 -0.285 0.000 1.394 66 I HN 0.712 nan 8.210 nan 0.000 0.562 67 D N 3.813 124.042 120.400 -0.285 0.000 2.615 67 D HA 0.325 4.964 4.640 -0.001 0.000 0.267 67 D C -0.848 175.523 176.300 0.118 0.000 1.236 67 D CA -0.212 53.708 54.000 -0.133 0.000 0.839 67 D CB 1.718 42.557 40.800 0.065 0.000 1.380 67 D HN 0.617 nan 8.370 nan 0.000 0.433 68 T N -1.282 113.474 114.554 0.336 0.000 2.795 68 T HA 0.060 4.409 4.350 -0.001 0.000 0.314 68 T C 0.344 175.265 174.700 0.368 0.000 1.069 68 T CA -0.293 62.037 62.100 0.384 0.000 1.071 68 T CB 0.876 69.887 68.868 0.240 0.000 0.988 68 T HN 0.543 nan 8.240 nan 0.000 0.543 69 W N 0.340 121.782 121.300 0.237 0.000 3.517 69 W HA 0.341 5.000 4.660 -0.002 0.000 0.234 69 W C 0.346 177.007 176.519 0.236 0.000 0.972 69 W CA 0.073 57.566 57.345 0.247 0.000 2.002 69 W CB -0.054 29.601 29.460 0.324 0.000 1.018 69 W HN 0.644 nan 8.180 nan 0.000 0.712 70 E N 1.489 122.058 120.200 0.616 0.000 2.349 70 E HA 0.028 4.377 4.350 -0.001 0.000 0.265 70 E C 1.399 178.147 176.600 0.246 0.000 1.064 70 E CA -0.119 56.558 56.400 0.461 0.000 0.886 70 E CB 0.152 30.048 29.700 0.328 0.000 1.036 70 E HN 0.218 nan 8.360 nan 0.000 0.413 71 W N 3.913 125.359 121.300 0.244 0.000 2.374 71 W HA -0.144 4.515 4.660 -0.001 0.000 0.288 71 W C 0.473 177.071 176.519 0.131 0.000 1.218 71 W CA 1.253 58.695 57.345 0.162 0.000 1.245 71 W CB -0.544 29.008 29.460 0.154 0.000 1.126 71 W HN 0.492 nan 8.180 nan 0.000 0.545 72 N N 0.615 118.744 118.700 -0.951 0.000 2.273 72 N HA -0.047 4.692 4.740 -0.001 0.000 0.231 72 N C 0.542 175.760 175.510 -0.487 0.000 1.134 72 N CA 0.116 52.626 53.050 -0.901 0.000 0.856 72 N CB -0.666 36.828 38.487 -1.655 0.000 1.068 72 N HN -0.100 nan 8.380 nan 0.000 0.510 73 D N 1.092 121.270 120.400 -0.370 0.000 2.116 73 D HA -0.125 4.514 4.640 -0.001 0.000 0.193 73 D C 1.852 177.600 176.300 -0.920 0.000 0.998 73 D CA 1.057 54.740 54.000 -0.529 0.000 0.836 73 D CB 0.044 40.545 40.800 -0.499 0.000 0.951 73 D HN 0.081 nan 8.370 nan 0.000 0.449 74 V N 0.899 120.395 119.914 -0.696 0.000 2.324 74 V HA -0.285 3.834 4.120 -0.001 0.000 0.250 74 V C 2.502 178.454 176.094 -0.236 0.000 1.060 74 V CA 2.115 64.139 62.300 -0.459 0.000 1.042 74 V CB -0.887 30.851 31.823 -0.141 0.000 0.650 74 V HN 0.240 nan 8.190 nan 0.000 0.450 75 T N 0.223 114.650 114.554 -0.210 0.000 2.777 75 T HA -0.044 4.305 4.350 -0.001 0.000 0.266 75 T C 1.852 176.500 174.700 -0.086 0.000 1.040 75 T CA 1.356 63.385 62.100 -0.119 0.000 1.141 75 T CB -0.238 68.560 68.868 -0.116 0.000 0.868 75 T HN 0.320 nan 8.240 nan 0.000 0.444 76 L N -0.316 120.846 121.223 -0.101 0.000 2.141 76 L HA -0.061 4.278 4.340 -0.001 0.000 0.209 76 L C 2.502 179.392 176.870 0.033 0.000 1.094 76 L CA 1.122 55.984 54.840 0.036 0.000 0.763 76 L CB -0.673 41.497 42.059 0.185 0.000 0.908 76 L HN 0.237 nan 8.230 nan 0.000 0.437 77 Y N 0.912 121.067 120.300 -0.241 0.000 2.070 77 Y HA -0.173 4.376 4.550 -0.001 0.000 0.280 77 Y C 2.672 178.381 175.900 -0.318 0.000 1.148 77 Y CA 1.117 58.997 58.100 -0.368 0.000 1.125 77 Y CB -1.455 36.814 38.460 -0.318 0.000 0.975 77 Y HN 0.109 nan 8.280 nan 0.000 0.492 78 G N -0.796 107.986 108.800 -0.031 0.000 2.422 78 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.218 78 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.218 78 G C 1.861 176.704 174.900 -0.095 0.000 1.146 78 G CA 0.920 45.968 45.100 -0.087 0.000 0.769 78 G HN 0.376 nan 8.290 nan 0.000 0.547 79 M N -0.378 119.184 119.600 -0.065 0.000 2.213 79 M HA 0.019 4.498 4.480 -0.001 0.000 0.263 79 M C 2.261 178.504 176.300 -0.095 0.000 1.062 79 M CA 1.133 56.395 55.300 -0.063 0.000 1.105 79 M CB -0.014 32.575 32.600 -0.018 0.000 1.385 79 M HN 0.305 nan 8.290 nan 0.000 0.417 80 L N 0.318 121.478 121.223 -0.104 0.000 2.102 80 L HA -0.046 4.293 4.340 -0.001 0.000 0.202 80 L C 1.675 178.442 176.870 -0.172 0.000 1.076 80 L CA 1.745 56.504 54.840 -0.134 0.000 0.761 80 L CB -0.835 41.190 42.059 -0.057 0.000 0.921 80 L HN 0.245 nan 8.230 nan 0.000 0.444 81 N N -0.743 117.822 118.700 -0.225 0.000 2.520 81 N HA -0.111 4.628 4.740 -0.001 0.000 0.185 81 N C 1.425 176.824 175.510 -0.185 0.000 1.068 81 N CA 1.313 54.214 53.050 -0.248 0.000 0.911 81 N CB -0.188 38.093 38.487 -0.344 0.000 0.961 81 N HN 0.443 nan 8.380 nan 0.000 0.446 82 T N 1.274 115.735 114.554 -0.155 0.000 2.995 82 T HA 0.101 4.450 4.350 -0.001 0.000 0.269 82 T C 2.014 176.629 174.700 -0.141 0.000 1.091 82 T CA 0.208 62.230 62.100 -0.130 0.000 1.128 82 T CB 0.074 68.879 68.868 -0.105 0.000 0.891 82 T HN 0.185 nan 8.240 nan 0.000 0.492 83 L N 0.535 121.660 121.223 -0.163 0.000 2.353 83 L HA -0.040 4.299 4.340 -0.001 0.000 0.220 83 L C 2.378 179.112 176.870 -0.226 0.000 1.133 83 L CA 1.122 55.843 54.840 -0.199 0.000 0.798 83 L CB -0.429 41.505 42.059 -0.209 0.000 0.922 83 L HN 0.178 nan 8.230 nan 0.000 0.445 84 K N -0.359 119.928 120.400 -0.188 0.000 2.432 84 K HA -0.032 4.287 4.320 -0.001 0.000 0.196 84 K C 1.567 178.081 176.600 -0.144 0.000 1.038 84 K CA 0.177 56.360 56.287 -0.173 0.000 0.986 84 K CB -0.001 32.407 32.500 -0.153 0.000 0.782 84 K HN 0.325 nan 8.250 nan 0.000 0.485 85 N N 1.517 120.139 118.700 -0.131 0.000 2.039 85 N HA -0.148 4.591 4.740 -0.001 0.000 0.193 85 N C 1.439 176.901 175.510 -0.080 0.000 1.044 85 N CA 1.390 54.383 53.050 -0.095 0.000 0.847 85 N CB -0.128 38.309 38.487 -0.082 0.000 1.030 85 N HN 0.190 nan 8.380 nan 0.000 0.422 86 R N 0.053 120.493 120.500 -0.101 0.000 2.299 86 R HA 0.112 4.451 4.340 -0.001 0.000 0.197 86 R C 0.083 176.349 176.300 -0.057 0.000 0.971 86 R CA 0.171 56.242 56.100 -0.049 0.000 1.030 86 R CB 0.003 30.286 30.300 -0.029 0.000 0.932 86 R HN 0.075 nan 8.270 nan 0.000 0.477 87 N N 0.318 118.909 118.700 -0.182 0.000 2.727 87 N HA 0.174 4.914 4.740 -0.001 0.000 0.252 87 N C -2.391 173.055 175.510 -0.107 0.000 1.283 87 N CA -2.189 50.758 53.050 -0.171 0.000 0.782 87 N CB 1.484 39.646 38.487 -0.543 0.000 1.199 87 N HN -0.238 nan 8.380 nan 0.000 0.520 88 P HA -0.034 nan 4.420 nan 0.000 0.218 88 P C 0.540 177.808 177.300 -0.054 0.000 1.146 88 P CA 1.123 64.195 63.100 -0.048 0.000 0.813 88 P CB 0.440 32.127 31.700 -0.021 0.000 0.778 89 N N -1.118 117.560 118.700 -0.038 0.000 2.354 89 N HA -0.030 4.709 4.740 -0.001 0.000 0.179 89 N C 0.431 175.880 175.510 -0.103 0.000 1.021 89 N CA 0.132 53.153 53.050 -0.049 0.000 0.887 89 N CB -0.827 37.656 38.487 -0.008 0.000 0.974 89 N HN 0.078 nan 8.380 nan 0.000 0.437 90 L N 1.331 122.482 121.223 -0.120 0.000 2.601 90 L HA 0.032 4.372 4.340 -0.001 0.000 0.277 90 L C -0.044 176.715 176.870 -0.184 0.000 1.219 90 L CA 0.459 55.201 54.840 -0.164 0.000 0.915 90 L CB 0.117 42.066 42.059 -0.182 0.000 1.160 90 L HN -0.095 nan 8.230 nan 0.000 0.494 91 K N 2.700 122.941 120.400 -0.265 0.000 2.156 91 K HA 0.666 4.985 4.320 -0.001 0.000 0.254 91 K C -0.705 175.836 176.600 -0.099 0.000 0.950 91 K CA -0.402 55.745 56.287 -0.233 0.000 0.849 91 K CB 1.746 33.977 32.500 -0.449 0.000 1.100 91 K HN 0.713 nan 8.250 nan 0.000 0.434 92 T N 2.647 117.204 114.554 0.006 0.000 2.876 92 T HA 0.672 5.022 4.350 -0.001 0.000 0.289 92 T C -1.205 173.658 174.700 0.272 0.000 1.014 92 T CA -0.682 61.493 62.100 0.126 0.000 0.986 92 T CB 0.850 69.753 68.868 0.059 0.000 1.021 92 T HN 0.185 nan 8.240 nan 0.000 0.458 93 L N 2.362 123.766 121.223 0.302 0.000 2.393 93 L HA 0.684 5.023 4.340 -0.001 0.000 0.260 93 L C -1.221 175.639 176.870 -0.017 0.000 1.002 93 L CA -0.865 54.091 54.840 0.194 0.000 0.818 93 L CB 1.843 44.008 42.059 0.176 0.000 1.369 93 L HN 0.438 nan 8.230 nan 0.000 0.412 94 L N 1.129 122.142 121.223 -0.350 0.000 2.280 94 L HA 0.652 4.991 4.340 -0.001 0.000 0.287 94 L C -0.111 176.726 176.870 -0.055 0.000 1.023 94 L CA 0.225 54.742 54.840 -0.539 0.000 0.819 94 L CB 1.449 42.826 42.059 -1.137 0.000 1.212 94 L HN 0.597 nan 8.230 nan 0.000 0.420 95 S N 3.883 119.671 115.700 0.146 0.000 2.525 95 S HA 0.636 5.105 4.470 -0.001 0.000 0.278 95 S C -0.835 174.031 174.600 0.444 0.000 1.234 95 S CA -0.489 57.924 58.200 0.356 0.000 1.058 95 S CB 1.144 64.679 63.200 0.558 0.000 0.983 95 S HN 0.630 nan 8.310 nan 0.000 0.495 96 V N 5.783 125.931 119.914 0.391 0.000 2.448 96 V HA 0.832 4.951 4.120 -0.001 0.000 0.295 96 V C 0.640 176.811 176.094 0.128 0.000 1.025 96 V CA 1.078 63.525 62.300 0.245 0.000 0.859 96 V CB 0.562 32.507 31.823 0.203 0.000 0.988 96 V HN 1.339 nan 8.190 nan 0.000 0.431 97 G N 4.400 112.997 108.800 -0.339 0.000 2.436 97 G HA2 0.488 4.447 3.960 -0.001 0.000 0.205 97 G HA3 0.488 4.447 3.960 -0.001 0.000 0.205 97 G C 0.732 175.095 174.900 -0.895 0.000 1.188 97 G CA 0.233 45.008 45.100 -0.542 0.000 1.267 97 G HN 2.621 nan 8.290 nan 0.000 0.536 98 G N -1.871 106.387 108.800 -0.904 0.000 2.663 98 G HA2 0.077 4.037 3.960 -0.001 0.000 0.686 98 G HA3 0.077 4.037 3.960 -0.001 0.000 0.686 98 G C 0.677 175.345 174.900 -0.386 0.000 1.288 98 G CA 0.488 44.836 45.100 -1.252 0.000 0.836 98 G HN 1.839 nan 8.290 nan 0.000 0.584 99 W N 0.617 121.700 121.300 -0.362 0.000 2.355 99 W HA -0.100 4.559 4.660 -0.002 0.000 0.309 99 W C 1.785 178.215 176.519 -0.148 0.000 1.206 99 W CA 1.855 59.060 57.345 -0.233 0.000 1.284 99 W CB -0.043 29.303 29.460 -0.191 0.000 1.145 99 W HN 0.535 nan 8.180 nan 0.000 0.502 100 N N 0.535 119.169 118.700 -0.110 0.000 2.575 100 N HA -0.090 4.649 4.740 -0.001 0.000 0.192 100 N C 1.045 176.510 175.510 -0.074 0.000 1.200 100 N CA 0.629 53.599 53.050 -0.133 0.000 0.897 100 N CB -0.949 37.501 38.487 -0.062 0.000 0.990 100 N HN 0.141 nan 8.380 nan 0.000 0.449 101 F N 0.808 120.619 119.950 -0.232 0.000 2.187 101 F HA 0.201 4.728 4.527 -0.001 0.000 0.295 101 F C 1.175 176.875 175.800 -0.167 0.000 1.091 101 F CA 1.076 59.007 58.000 -0.115 0.000 1.308 101 F CB -0.009 38.906 39.000 -0.142 0.000 1.030 101 F HN 0.067 nan 8.300 nan 0.000 0.487 102 G N 0.040 108.752 108.800 -0.148 0.000 3.322 102 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.686 102 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.686 102 G C 0.599 175.472 174.900 -0.045 0.000 1.015 102 G CA 0.048 45.012 45.100 -0.226 0.000 0.826 102 G HN 0.722 nan 8.290 nan 0.000 0.538 103 S N 1.159 116.855 115.700 -0.007 0.000 2.419 103 S HA -0.198 4.271 4.470 -0.001 0.000 0.235 103 S C 2.100 176.762 174.600 0.104 0.000 1.019 103 S CA 1.869 60.188 58.200 0.197 0.000 0.982 103 S CB -0.118 63.252 63.200 0.284 0.000 0.789 103 S HN 0.754 nan 8.310 nan 0.000 0.490 104 Q N 2.015 121.808 119.800 -0.012 0.000 2.045 104 Q HA -0.112 4.227 4.340 -0.001 0.000 0.206 104 Q C 2.521 178.462 176.000 -0.099 0.000 0.991 104 Q CA 1.786 57.560 55.803 -0.048 0.000 0.851 104 Q CB -0.581 28.098 28.738 -0.099 0.000 0.911 104 Q HN 0.716 nan 8.270 nan 0.000 0.418 105 R N -0.567 119.819 120.500 -0.191 0.000 2.073 105 R HA -0.088 4.251 4.340 -0.001 0.000 0.234 105 R C 2.336 178.508 176.300 -0.214 0.000 1.134 105 R CA 1.077 57.025 56.100 -0.253 0.000 0.952 105 R CB -0.691 29.305 30.300 -0.507 0.000 0.850 105 R HN 0.172 nan 8.270 nan 0.000 0.433 106 F N 1.703 121.474 119.950 -0.298 0.000 2.126 106 F HA -0.217 4.309 4.527 -0.002 0.000 0.299 106 F C 2.913 178.204 175.800 -0.848 0.000 1.096 106 F CA 1.543 59.088 58.000 -0.758 0.000 1.255 106 F CB -0.641 37.448 39.000 -1.518 0.000 0.997 106 F HN -0.003 nan 8.300 nan 0.000 0.479 107 S N -0.174 115.360 115.700 -0.277 0.000 2.353 107 S HA -0.236 4.234 4.470 -0.001 0.000 0.222 107 S C 2.169 176.772 174.600 0.006 0.000 1.035 107 S CA 1.608 59.833 58.200 0.042 0.000 1.025 107 S CB -0.283 63.052 63.200 0.225 0.000 0.902 107 S HN 0.348 nan 8.310 nan 0.000 0.440 108 K N 0.217 120.588 120.400 -0.049 0.000 2.152 108 K HA -0.060 4.260 4.320 -0.001 0.000 0.206 108 K C 1.961 178.507 176.600 -0.090 0.000 1.048 108 K CA 1.582 57.835 56.287 -0.058 0.000 0.933 108 K CB -0.310 32.145 32.500 -0.076 0.000 0.721 108 K HN 0.499 nan 8.250 nan 0.000 0.447 109 I N 0.168 120.647 120.570 -0.151 0.000 2.400 109 I HA -0.137 4.032 4.170 -0.001 0.000 0.248 109 I C 2.307 178.359 176.117 -0.107 0.000 1.109 109 I CA 0.777 61.972 61.300 -0.175 0.000 1.425 109 I CB -0.170 37.617 38.000 -0.355 0.000 1.094 109 I HN 0.041 nan 8.210 nan 0.000 0.425 110 A N -0.564 122.212 122.820 -0.074 0.000 2.123 110 A HA -0.067 4.252 4.320 -0.001 0.000 0.214 110 A C 2.372 179.936 177.584 -0.033 0.000 1.152 110 A CA 1.357 53.427 52.037 0.056 0.000 0.728 110 A CB -0.327 18.834 19.000 0.267 0.000 0.814 110 A HN 0.338 nan 8.150 nan 0.000 0.464 111 S N 0.205 115.846 115.700 -0.099 0.000 2.388 111 S HA -0.037 4.433 4.470 -0.001 0.000 0.223 111 S C 0.984 175.433 174.600 -0.251 0.000 1.034 111 S CA 0.050 58.046 58.200 -0.340 0.000 0.963 111 S CB -0.383 62.773 63.200 -0.074 0.000 0.827 111 S HN 0.596 nan 8.310 nan 0.000 0.481 112 N N 1.465 120.096 118.700 -0.117 0.000 2.442 112 N HA 0.074 4.813 4.740 -0.001 0.000 0.265 112 N C 0.592 176.067 175.510 -0.058 0.000 1.138 112 N CA 0.377 53.383 53.050 -0.073 0.000 0.956 112 N CB 1.303 39.763 38.487 -0.046 0.000 1.067 112 N HN 0.222 nan 8.380 nan 0.000 0.474 113 T N 3.559 118.083 114.554 -0.049 0.000 2.803 113 T HA -0.189 4.160 4.350 -0.001 0.000 0.269 113 T C 1.525 176.219 174.700 -0.009 0.000 1.052 113 T CA 1.554 63.638 62.100 -0.027 0.000 1.136 113 T CB 0.111 68.969 68.868 -0.017 0.000 0.864 113 T HN 0.596 nan 8.240 nan 0.000 0.467 114 Q N 0.705 120.501 119.800 -0.007 0.000 2.049 114 Q HA 0.049 4.389 4.340 -0.001 0.000 0.198 114 Q C 2.782 178.787 176.000 0.009 0.000 0.971 114 Q CA 1.289 57.094 55.803 0.004 0.000 0.833 114 Q CB -0.219 28.522 28.738 0.005 0.000 0.896 114 Q HN 0.351 nan 8.270 nan 0.000 0.434 115 S N 0.429 116.130 115.700 0.002 0.000 2.382 115 S HA -0.172 4.297 4.470 -0.001 0.000 0.228 115 S C 1.793 176.418 174.600 0.042 0.000 1.027 115 S CA 1.185 59.389 58.200 0.007 0.000 0.991 115 S CB -0.198 62.987 63.200 -0.026 0.000 0.823 115 S HN 0.275 nan 8.310 nan 0.000 0.469 116 R N 1.066 121.590 120.500 0.039 0.000 2.081 116 R HA -0.105 4.234 4.340 -0.001 0.000 0.235 116 R C 2.465 178.830 176.300 0.107 0.000 1.131 116 R CA 1.422 57.580 56.100 0.097 0.000 0.960 116 R CB -0.121 30.212 30.300 0.055 0.000 0.856 116 R HN 0.122 nan 8.270 nan 0.000 0.436 117 R N 0.148 120.676 120.500 0.047 0.000 2.070 117 R HA -0.056 4.283 4.340 -0.001 0.000 0.233 117 R C 1.942 178.244 176.300 0.004 0.000 1.137 117 R CA 2.508 58.620 56.100 0.021 0.000 0.945 117 R CB -1.030 29.276 30.300 0.010 0.000 0.845 117 R HN 0.188 nan 8.270 nan 0.000 0.430 118 T N 1.111 115.663 114.554 -0.003 0.000 2.635 118 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 118 T C 1.443 176.061 174.700 -0.137 0.000 1.040 118 T CA 1.727 63.776 62.100 -0.085 0.000 1.156 118 T CB -0.586 68.242 68.868 -0.067 0.000 0.863 118 T HN 0.272 nan 8.240 nan 0.000 0.430 119 F N 1.737 121.582 119.950 -0.175 0.000 2.043 119 F HA -0.111 4.416 4.527 -0.001 0.000 0.297 119 F C 2.096 177.849 175.800 -0.079 0.000 1.121 119 F CA 0.991 58.906 58.000 -0.142 0.000 1.199 119 F CB -0.755 38.197 39.000 -0.079 0.000 0.968 119 F HN 0.111 nan 8.300 nan 0.000 0.478 120 I N 0.245 120.713 120.570 -0.170 0.000 2.163 120 I HA -0.366 3.803 4.170 -0.001 0.000 0.243 120 I C 2.580 178.611 176.117 -0.144 0.000 1.085 120 I CA 1.939 63.102 61.300 -0.227 0.000 1.347 120 I CB -0.654 37.300 38.000 -0.075 0.000 1.044 120 I HN 0.168 nan 8.210 nan 0.000 0.408 121 K N 0.931 121.275 120.400 -0.093 0.000 2.097 121 K HA -0.199 4.120 4.320 -0.001 0.000 0.206 121 K C 2.240 178.810 176.600 -0.049 0.000 1.049 121 K CA 1.844 58.102 56.287 -0.047 0.000 0.933 121 K CB -0.053 32.426 32.500 -0.035 0.000 0.717 121 K HN 0.396 nan 8.250 nan 0.000 0.442 122 S N -0.508 115.116 115.700 -0.126 0.000 2.481 122 S HA -0.048 4.421 4.470 -0.001 0.000 0.231 122 S C 1.858 176.459 174.600 0.001 0.000 0.996 122 S CA 0.788 58.957 58.200 -0.052 0.000 0.942 122 S CB -0.088 63.023 63.200 -0.148 0.000 0.768 122 S HN 0.092 nan 8.310 nan 0.000 0.520 123 V N 3.000 122.854 119.914 -0.100 0.000 2.270 123 V HA -0.017 4.102 4.120 -0.001 0.000 0.245 123 V C -0.268 175.862 176.094 0.061 0.000 1.043 123 V CA 1.667 63.946 62.300 -0.035 0.000 1.014 123 V CB -1.729 30.047 31.823 -0.078 0.000 0.645 123 V HN 0.361 nan 8.190 nan 0.000 0.447 124 P HA -0.109 nan 4.420 nan 0.000 0.214 124 P C -1.360 175.944 177.300 0.007 0.000 1.163 124 P CA 2.060 65.121 63.100 -0.065 0.000 0.889 124 P CB -1.263 30.408 31.700 -0.048 0.000 0.790 125 P HA -0.193 nan 4.420 nan 0.000 0.214 125 P C 1.521 178.882 177.300 0.102 0.000 1.163 125 P CA 1.171 64.310 63.100 0.065 0.000 0.889 125 P CB -0.547 31.210 31.700 0.094 0.000 0.790 126 F N -0.141 119.847 119.950 0.064 0.000 2.126 126 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 126 F C 1.990 177.917 175.800 0.211 0.000 1.096 126 F CA 1.511 59.612 58.000 0.168 0.000 1.255 126 F CB -0.698 38.417 39.000 0.191 0.000 0.997 126 F HN -0.231 nan 8.300 nan 0.000 0.479 127 L N -0.631 120.757 121.223 0.276 0.000 2.072 127 L HA -0.160 4.179 4.340 -0.001 0.000 0.205 127 L C 2.645 179.561 176.870 0.076 0.000 1.079 127 L CA 0.791 55.758 54.840 0.213 0.000 0.752 127 L CB -0.621 41.491 42.059 0.088 0.000 0.906 127 L HN -0.009 nan 8.230 nan 0.000 0.436 128 R N -0.288 120.204 120.500 -0.013 0.000 2.075 128 R HA -0.071 4.268 4.340 -0.001 0.000 0.232 128 R C 2.229 178.452 176.300 -0.128 0.000 1.126 128 R CA 1.505 57.563 56.100 -0.068 0.000 0.963 128 R CB -1.295 28.964 30.300 -0.069 0.000 0.858 128 R HN 0.292 nan 8.270 nan 0.000 0.435 129 T N 0.244 114.681 114.554 -0.195 0.000 2.759 129 T HA -0.127 4.222 4.350 -0.001 0.000 0.269 129 T C 0.948 175.341 174.700 -0.512 0.000 1.042 129 T CA 1.510 63.384 62.100 -0.377 0.000 1.140 129 T CB -0.190 68.358 68.868 -0.534 0.000 0.864 129 T HN 0.498 nan 8.240 nan 0.000 0.455 130 H N -0.820 118.140 119.070 -0.183 0.000 2.594 130 H HA 0.437 4.992 4.556 -0.001 0.000 0.279 130 H C 1.475 176.592 175.328 -0.352 0.000 1.042 130 H CA 0.100 56.028 56.048 -0.201 0.000 1.177 130 H CB 0.357 30.037 29.762 -0.136 0.000 1.524 130 H HN 0.376 nan 8.280 nan 0.000 0.537 131 G N 0.420 109.099 108.800 -0.202 0.000 2.160 131 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.244 131 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.244 131 G C -0.315 174.365 174.900 -0.366 0.000 1.022 131 G CA -0.259 44.676 45.100 -0.275 0.000 0.741 131 G HN 0.207 nan 8.290 nan 0.000 0.508 132 F N 0.270 120.151 119.950 -0.115 0.000 2.379 132 F HA 0.473 4.999 4.527 -0.001 0.000 0.332 132 F C 1.267 177.013 175.800 -0.089 0.000 1.096 132 F CA -0.833 57.103 58.000 -0.107 0.000 1.105 132 F CB 1.127 40.060 39.000 -0.112 0.000 1.189 132 F HN -0.034 nan 8.300 nan 0.000 0.515 133 D N 0.968 121.460 120.400 0.153 0.000 2.354 133 D HA 0.232 4.871 4.640 -0.001 0.000 0.209 133 D C 0.808 177.141 176.300 0.054 0.000 1.015 133 D CA 0.583 54.619 54.000 0.061 0.000 0.867 133 D CB 0.676 41.503 40.800 0.044 0.000 0.933 133 D HN 0.648 nan 8.370 nan 0.000 0.520 134 G N 0.153 109.009 108.800 0.093 0.000 2.441 134 G HA2 0.399 4.359 3.960 -0.001 0.000 0.294 134 G HA3 0.399 4.359 3.960 -0.001 0.000 0.294 134 G C -2.246 172.707 174.900 0.087 0.000 1.393 134 G CA -0.762 44.377 45.100 0.066 0.000 0.796 134 G HN 0.046 nan 8.290 nan 0.000 0.494 135 L N 0.207 121.540 121.223 0.185 0.000 2.334 135 L HA 0.853 5.192 4.340 -0.001 0.000 0.276 135 L C -1.199 175.760 176.870 0.148 0.000 1.014 135 L CA -0.665 54.280 54.840 0.175 0.000 0.815 135 L CB 2.140 44.378 42.059 0.298 0.000 1.268 135 L HN 0.600 nan 8.230 nan 0.000 0.428 136 D N 3.626 124.117 120.400 0.152 0.000 2.425 136 D HA 0.382 5.021 4.640 -0.001 0.000 0.240 136 D C -1.269 175.183 176.300 0.254 0.000 1.080 136 D CA -0.149 53.953 54.000 0.170 0.000 0.836 136 D CB 0.962 41.901 40.800 0.232 0.000 1.125 136 D HN 0.539 nan 8.370 nan 0.000 0.525 137 L N 3.148 124.503 121.223 0.219 0.000 2.278 137 L HA 0.592 4.931 4.340 -0.001 0.000 0.287 137 L C 0.253 177.293 176.870 0.283 0.000 1.072 137 L CA -0.672 54.335 54.840 0.279 0.000 0.819 137 L CB 1.387 43.588 42.059 0.236 0.000 1.176 137 L HN 0.586 nan 8.230 nan 0.000 0.435 138 A N 4.306 127.297 122.820 0.285 0.000 3.165 138 A HA 0.183 4.502 4.320 -0.001 0.000 0.331 138 A C -0.968 176.674 177.584 0.097 0.000 1.034 138 A CA -0.435 51.733 52.037 0.220 0.000 0.906 138 A CB -0.047 19.137 19.000 0.307 0.000 1.054 138 A HN 0.708 nan 8.150 nan 0.000 0.484 139 W N 3.712 124.837 121.300 -0.292 0.000 2.367 139 W HA 0.535 5.194 4.660 -0.002 0.000 0.329 139 W C -1.365 174.944 176.519 -0.350 0.000 1.066 139 W CA -1.251 55.739 57.345 -0.592 0.000 1.435 139 W CB 0.272 29.091 29.460 -1.067 0.000 1.296 139 W HN 0.361 nan 8.180 nan 0.000 0.401 140 L N 9.045 130.262 121.223 -0.009 0.000 2.313 140 L HA 0.387 4.726 4.340 -0.001 0.000 0.273 140 L C -1.180 175.355 176.870 -0.558 0.000 1.028 140 L CA -0.714 53.700 54.840 -0.710 0.000 0.871 140 L CB -0.258 41.227 42.059 -0.957 0.000 1.242 140 L HN 0.233 nan 8.230 nan 0.000 0.434 141 Y N 1.540 121.846 120.300 0.011 0.000 2.597 141 Y HA 0.485 5.034 4.550 -0.001 0.000 0.340 141 Y C -2.538 173.025 175.900 -0.563 0.000 1.097 141 Y CA -2.857 55.061 58.100 -0.303 0.000 1.037 141 Y CB 1.473 39.764 38.460 -0.282 0.000 1.305 141 Y HN 0.315 nan 8.280 nan 0.000 0.463 142 P HA 0.127 nan 4.420 nan 0.000 0.268 142 P C 0.230 177.274 177.300 -0.426 0.000 1.204 142 P CA 0.176 62.673 63.100 -1.004 0.000 0.768 142 P CB 0.654 31.520 31.700 -1.391 0.000 0.842 143 G N 1.944 110.638 108.800 -0.176 0.000 2.570 143 G HA2 0.320 4.279 3.960 -0.001 0.000 0.276 143 G HA3 0.320 4.279 3.960 -0.001 0.000 0.276 143 G C 1.326 176.123 174.900 -0.171 0.000 1.346 143 G CA -0.134 44.891 45.100 -0.126 0.000 1.034 143 G HN 0.457 nan 8.290 nan 0.000 0.512 144 R N -1.401 119.020 120.500 -0.133 0.000 2.189 144 R HA 0.088 4.427 4.340 -0.001 0.000 0.223 144 R C 2.575 178.806 176.300 -0.114 0.000 1.092 144 R CA 2.041 58.063 56.100 -0.130 0.000 0.989 144 R CB -1.408 28.833 30.300 -0.098 0.000 0.876 144 R HN 0.813 nan 8.270 nan 0.000 0.457 145 R N 1.044 121.492 120.500 -0.087 0.000 2.307 145 R HA 0.050 4.389 4.340 -0.001 0.000 0.199 145 R C 1.047 177.278 176.300 -0.114 0.000 1.000 145 R CA 1.132 57.187 56.100 -0.074 0.000 1.023 145 R CB -0.389 29.902 30.300 -0.014 0.000 0.908 145 R HN 0.607 nan 8.270 nan 0.000 0.473 146 D N -1.308 119.024 120.400 -0.114 0.000 2.500 146 D HA 0.061 4.701 4.640 -0.001 0.000 0.217 146 D C 1.057 177.270 176.300 -0.145 0.000 1.159 146 D CA -0.100 53.849 54.000 -0.086 0.000 0.828 146 D CB 0.511 41.386 40.800 0.125 0.000 1.039 146 D HN 0.447 nan 8.370 nan 0.000 0.512 147 K N 0.963 121.260 120.400 -0.172 0.000 2.059 147 K HA -0.255 4.064 4.320 -0.001 0.000 0.212 147 K C 1.731 178.332 176.600 0.003 0.000 1.050 147 K CA 1.553 57.777 56.287 -0.105 0.000 0.927 147 K CB 0.342 32.780 32.500 -0.104 0.000 0.714 147 K HN -0.129 nan 8.250 nan 0.000 0.447 148 Q N -0.656 119.109 119.800 -0.059 0.000 2.137 148 Q HA -0.072 4.268 4.340 -0.001 0.000 0.198 148 Q C 1.960 178.044 176.000 0.139 0.000 0.960 148 Q CA 1.402 57.211 55.803 0.011 0.000 0.847 148 Q CB -0.149 28.567 28.738 -0.036 0.000 0.915 148 Q HN 0.461 nan 8.270 nan 0.000 0.448 149 H N -1.129 118.020 119.070 0.132 0.000 2.387 149 H HA -0.120 4.435 4.556 -0.001 0.000 0.299 149 H C 1.607 177.092 175.328 0.260 0.000 1.099 149 H CA 1.114 57.278 56.048 0.194 0.000 1.315 149 H CB -0.549 29.373 29.762 0.267 0.000 1.380 149 H HN 0.223 nan 8.280 nan 0.000 0.513 150 F N 1.586 121.634 119.950 0.163 0.000 2.171 150 F HA -0.184 4.342 4.527 -0.001 0.000 0.300 150 F C 2.214 178.060 175.800 0.076 0.000 1.090 150 F CA 1.467 59.509 58.000 0.070 0.000 1.293 150 F CB -0.422 38.444 39.000 -0.223 0.000 1.013 150 F HN 0.007 nan 8.300 nan 0.000 0.486 151 T N -0.695 113.896 114.554 0.062 0.000 2.737 151 T HA -0.158 4.191 4.350 -0.001 0.000 0.265 151 T C 1.910 176.565 174.700 -0.075 0.000 1.038 151 T CA 2.036 64.111 62.100 -0.042 0.000 1.144 151 T CB -0.604 68.290 68.868 0.044 0.000 0.866 151 T HN 0.264 nan 8.240 nan 0.000 0.434 152 T N 2.652 117.214 114.554 0.014 0.000 2.684 152 T HA -0.071 4.278 4.350 -0.001 0.000 0.267 152 T C 1.909 176.579 174.700 -0.050 0.000 1.036 152 T CA 1.024 63.120 62.100 -0.007 0.000 1.148 152 T CB -0.540 68.373 68.868 0.074 0.000 0.863 152 T HN 0.132 nan 8.240 nan 0.000 0.436 153 L N 1.164 122.393 121.223 0.010 0.000 1.990 153 L HA -0.048 4.291 4.340 -0.001 0.000 0.213 153 L C 2.195 178.992 176.870 -0.121 0.000 1.072 153 L CA 1.675 56.526 54.840 0.019 0.000 0.755 153 L CB -0.726 41.432 42.059 0.165 0.000 0.889 153 L HN 0.281 nan 8.230 nan 0.000 0.432 154 I N -0.517 119.902 120.570 -0.253 0.000 2.226 154 I HA -0.314 3.855 4.170 -0.001 0.000 0.245 154 I C 2.615 178.529 176.117 -0.339 0.000 1.100 154 I CA 1.652 62.761 61.300 -0.317 0.000 1.374 154 I CB -0.483 37.275 38.000 -0.403 0.000 1.057 154 I HN 0.381 nan 8.210 nan 0.000 0.413 155 K N 1.340 121.490 120.400 -0.416 0.000 2.032 155 K HA -0.229 4.090 4.320 -0.001 0.000 0.209 155 K C 1.918 178.263 176.600 -0.425 0.000 1.048 155 K CA 1.821 57.684 56.287 -0.707 0.000 0.927 155 K CB -0.045 32.101 32.500 -0.590 0.000 0.712 155 K HN 0.351 nan 8.250 nan 0.000 0.441 156 E N 0.077 120.120 120.200 -0.262 0.000 2.107 156 E HA -0.179 4.170 4.350 -0.001 0.000 0.191 156 E C 1.956 178.431 176.600 -0.209 0.000 0.982 156 E CA 1.079 57.373 56.400 -0.178 0.000 0.809 156 E CB -0.076 29.564 29.700 -0.101 0.000 0.756 156 E HN 0.242 nan 8.360 nan 0.000 0.459 157 M N 1.335 120.766 119.600 -0.281 0.000 2.159 157 M HA -0.163 4.317 4.480 -0.001 0.000 0.263 157 M C 1.976 177.852 176.300 -0.706 0.000 1.063 157 M CA 1.586 56.602 55.300 -0.473 0.000 1.110 157 M CB 0.056 32.359 32.600 -0.496 0.000 1.374 157 M HN -0.216 nan 8.290 nan 0.000 0.411 158 K N 0.109 120.219 120.400 -0.484 0.000 2.103 158 K HA 0.113 4.433 4.320 -0.001 0.000 0.204 158 K C 1.772 178.297 176.600 -0.126 0.000 1.052 158 K CA 1.559 57.657 56.287 -0.315 0.000 0.945 158 K CB -0.702 31.717 32.500 -0.136 0.000 0.722 158 K HN 0.368 nan 8.250 nan 0.000 0.443 159 A N 0.617 123.359 122.820 -0.130 0.000 1.877 159 A HA -0.193 4.126 4.320 -0.001 0.000 0.216 159 A C 2.162 179.750 177.584 0.007 0.000 1.186 159 A CA 2.044 54.053 52.037 -0.047 0.000 0.620 159 A CB -0.767 18.192 19.000 -0.068 0.000 0.822 159 A HN 0.464 nan 8.150 nan 0.000 0.443 160 E N -0.644 119.553 120.200 -0.004 0.000 2.051 160 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 160 E C 1.630 178.379 176.600 0.250 0.000 0.991 160 E CA 1.413 57.870 56.400 0.094 0.000 0.799 160 E CB -0.439 29.311 29.700 0.085 0.000 0.748 160 E HN 0.493 nan 8.360 nan 0.000 0.449 161 F N 0.508 120.445 119.950 -0.022 0.000 2.126 161 F HA -0.124 4.402 4.527 -0.001 0.000 0.299 161 F C 2.267 178.068 175.800 0.000 0.000 1.096 161 F CA 0.822 58.816 58.000 -0.010 0.000 1.255 161 F CB -0.869 38.126 39.000 -0.007 0.000 0.997 161 F HN 0.112 nan 8.300 nan 0.000 0.479 162 I N -0.199 120.495 120.570 0.206 0.000 2.179 162 I HA -0.321 3.848 4.170 -0.001 0.000 0.242 162 I C 2.574 178.739 176.117 0.081 0.000 1.088 162 I CA 1.433 62.802 61.300 0.115 0.000 1.357 162 I CB -0.488 37.561 38.000 0.082 0.000 1.051 162 I HN 0.077 nan 8.210 nan 0.000 0.409 163 K N 1.027 121.473 120.400 0.077 0.000 2.032 163 K HA -0.267 4.052 4.320 -0.001 0.000 0.209 163 K C 2.183 178.811 176.600 0.047 0.000 1.048 163 K CA 1.655 57.974 56.287 0.053 0.000 0.927 163 K CB -0.194 32.335 32.500 0.048 0.000 0.712 163 K HN 0.148 nan 8.250 nan 0.000 0.441 164 E N 0.182 120.416 120.200 0.058 0.000 2.267 164 E HA -0.169 4.181 4.350 -0.001 0.000 0.197 164 E C 0.971 177.577 176.600 0.011 0.000 0.998 164 E CA 1.292 57.709 56.400 0.028 0.000 0.830 164 E CB 0.086 29.796 29.700 0.016 0.000 0.751 164 E HN 0.448 nan 8.360 nan 0.000 0.491 165 A N -0.398 122.436 122.820 0.022 0.000 2.431 165 A HA 0.238 4.557 4.320 -0.001 0.000 0.239 165 A C 2.053 179.647 177.584 0.017 0.000 1.230 165 A CA 0.799 52.843 52.037 0.012 0.000 0.928 165 A CB -0.128 18.881 19.000 0.015 0.000 1.006 165 A HN 0.301 nan 8.150 nan 0.000 0.520 166 Q N 1.392 121.206 119.800 0.023 0.000 2.156 166 Q HA -0.212 4.127 4.340 -0.001 0.000 0.211 166 Q C 0.407 176.415 176.000 0.014 0.000 0.995 166 Q CA 2.233 58.048 55.803 0.021 0.000 0.877 166 Q CB -2.700 26.051 28.738 0.022 0.000 0.920 166 Q HN 0.706 nan 8.270 nan 0.000 0.416 167 P HA 0.071 nan 4.420 nan 0.000 0.225 167 P C 0.800 178.102 177.300 0.003 0.000 1.148 167 P CA 1.717 64.820 63.100 0.005 0.000 0.779 167 P CB 0.048 31.750 31.700 0.002 0.000 0.780 168 G N -0.912 107.890 108.800 0.004 0.000 2.276 168 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.177 168 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.177 168 G C 0.023 174.921 174.900 -0.002 0.000 1.017 168 G CA -0.610 44.492 45.100 0.002 0.000 0.750 168 G HN 0.289 nan 8.290 nan 0.000 0.506 169 K N 0.221 120.619 120.400 -0.004 0.000 2.120 169 K HA 0.393 4.712 4.320 -0.001 0.000 0.245 169 K C 0.397 176.993 176.600 -0.008 0.000 1.024 169 K CA -0.480 55.800 56.287 -0.012 0.000 0.906 169 K CB 0.934 33.422 32.500 -0.020 0.000 1.051 169 K HN 0.112 nan 8.250 nan 0.000 0.491 170 K N 2.366 122.758 120.400 -0.014 0.000 2.262 170 K HA -0.038 4.281 4.320 -0.001 0.000 0.288 170 K C -0.232 176.362 176.600 -0.009 0.000 1.090 170 K CA -0.017 56.266 56.287 -0.007 0.000 0.918 170 K CB 0.430 32.922 32.500 -0.013 0.000 1.139 170 K HN 0.374 nan 8.250 nan 0.000 0.462 171 Q N 4.204 124.011 119.800 0.011 0.000 2.304 171 Q HA -0.065 4.274 4.340 -0.001 0.000 0.315 171 Q C -0.580 175.424 176.000 0.008 0.000 1.075 171 Q CA 0.111 55.926 55.803 0.021 0.000 0.988 171 Q CB 0.505 29.281 28.738 0.063 0.000 1.146 171 Q HN 0.611 nan 8.270 nan 0.000 0.383 172 L N 4.718 125.898 121.223 -0.072 0.000 2.456 172 L HA 0.073 4.412 4.340 -0.001 0.000 0.272 172 L C 0.087 177.000 176.870 0.072 0.000 1.189 172 L CA -0.100 54.639 54.840 -0.169 0.000 0.846 172 L CB 0.178 41.813 42.059 -0.706 0.000 1.111 172 L HN 0.578 nan 8.230 nan 0.000 0.475 173 L N 3.763 125.057 121.223 0.118 0.000 2.395 173 L HA 0.376 4.715 4.340 -0.001 0.000 0.269 173 L C -0.394 176.652 176.870 0.293 0.000 1.133 173 L CA -0.456 54.512 54.840 0.213 0.000 0.812 173 L CB 1.248 43.439 42.059 0.221 0.000 1.125 173 L HN 0.388 nan 8.230 nan 0.000 0.452 174 L N 2.646 123.973 121.223 0.173 0.000 2.404 174 L HA 0.535 4.875 4.340 -0.001 0.000 0.272 174 L C -0.264 176.493 176.870 -0.188 0.000 0.980 174 L CA 0.163 55.037 54.840 0.057 0.000 0.836 174 L CB 1.640 43.663 42.059 -0.059 0.000 1.238 174 L HN 0.719 nan 8.230 nan 0.000 0.408 175 S N 3.453 118.983 115.700 -0.283 0.000 2.671 175 S HA 1.035 5.504 4.470 -0.001 0.000 0.299 175 S C -0.729 173.744 174.600 -0.212 0.000 1.116 175 S CA -0.305 57.562 58.200 -0.554 0.000 0.912 175 S CB 1.963 64.390 63.200 -1.288 0.000 1.130 175 S HN 1.169 nan 8.310 nan 0.000 0.501 176 A N 0.156 122.888 122.820 -0.146 0.000 2.459 176 A HA 0.845 5.164 4.320 -0.001 0.000 0.296 176 A C -0.480 177.171 177.584 0.113 0.000 1.039 176 A CA -0.501 51.560 52.037 0.039 0.000 0.698 176 A CB 1.192 20.212 19.000 0.034 0.000 1.261 176 A HN 1.717 nan 8.150 nan 0.000 0.405 177 A N 2.828 125.770 122.820 0.204 0.000 2.269 177 A HA 0.666 4.985 4.320 -0.001 0.000 0.302 177 A C -0.356 177.304 177.584 0.127 0.000 1.266 177 A CA -0.172 52.002 52.037 0.227 0.000 0.894 177 A CB -0.229 18.959 19.000 0.313 0.000 1.147 177 A HN 0.809 nan 8.150 nan 0.000 0.537 178 L N 1.820 123.072 121.223 0.048 0.000 2.334 178 L HA 0.503 4.842 4.340 -0.001 0.000 0.272 178 L C 0.970 177.914 176.870 0.122 0.000 1.020 178 L CA -0.720 54.099 54.840 -0.035 0.000 0.812 178 L CB 1.866 43.713 42.059 -0.353 0.000 1.264 178 L HN 0.694 nan 8.230 nan 0.000 0.439 179 S N 0.562 116.449 115.700 0.313 0.000 2.579 179 S HA 0.309 4.778 4.470 -0.001 0.000 0.275 179 S C 0.719 175.367 174.600 0.080 0.000 1.345 179 S CA 0.184 58.469 58.200 0.142 0.000 1.031 179 S CB 1.238 64.333 63.200 -0.175 0.000 0.892 179 S HN 0.711 nan 8.310 nan 0.000 0.529 180 A N 3.398 126.193 122.820 -0.041 0.000 2.348 180 A HA 0.467 4.786 4.320 -0.001 0.000 0.224 180 A C 0.942 178.651 177.584 0.207 0.000 1.227 180 A CA 0.198 52.271 52.037 0.060 0.000 0.885 180 A CB -0.389 18.569 19.000 -0.071 0.000 0.933 180 A HN 0.934 nan 8.150 nan 0.000 0.506 181 G N -0.193 108.655 108.800 0.081 0.000 2.339 181 G HA2 0.350 4.310 3.960 -0.001 0.000 0.287 181 G HA3 0.350 4.310 3.960 -0.001 0.000 0.287 181 G C 0.638 175.575 174.900 0.062 0.000 1.163 181 G CA -0.132 45.045 45.100 0.128 0.000 0.872 181 G HN 0.349 nan 8.290 nan 0.000 0.464 182 K N 2.180 122.619 120.400 0.065 0.000 2.020 182 K HA -0.167 4.153 4.320 -0.001 0.000 0.212 182 K C 2.397 178.924 176.600 -0.122 0.000 1.050 182 K CA 1.724 57.947 56.287 -0.108 0.000 0.929 182 K CB -0.189 32.030 32.500 -0.468 0.000 0.714 182 K HN 0.338 nan 8.250 nan 0.000 0.443 183 V N 0.980 120.827 119.914 -0.110 0.000 2.252 183 V HA -0.292 3.827 4.120 -0.001 0.000 0.249 183 V C 2.268 178.260 176.094 -0.170 0.000 1.056 183 V CA 2.460 64.689 62.300 -0.117 0.000 1.022 183 V CB -0.746 31.030 31.823 -0.078 0.000 0.641 183 V HN 0.525 nan 8.190 nan 0.000 0.445 184 T N 0.089 114.506 114.554 -0.228 0.000 2.746 184 T HA -0.096 4.253 4.350 -0.001 0.000 0.267 184 T C 1.801 176.218 174.700 -0.471 0.000 1.039 184 T CA 1.675 63.532 62.100 -0.405 0.000 1.142 184 T CB -0.273 68.220 68.868 -0.626 0.000 0.866 184 T HN 0.355 nan 8.240 nan 0.000 0.444 185 I N 1.302 121.714 120.570 -0.263 0.000 2.226 185 I HA -0.170 3.999 4.170 -0.001 0.000 0.245 185 I C 2.281 178.328 176.117 -0.116 0.000 1.100 185 I CA 1.190 62.414 61.300 -0.127 0.000 1.374 185 I CB -0.378 37.740 38.000 0.197 0.000 1.057 185 I HN 0.141 nan 8.210 nan 0.000 0.413 186 D N 0.449 120.811 120.400 -0.064 0.000 2.178 186 D HA -0.127 4.513 4.640 -0.001 0.000 0.202 186 D C 2.312 178.543 176.300 -0.116 0.000 0.974 186 D CA 1.831 55.807 54.000 -0.040 0.000 0.841 186 D CB -0.024 40.762 40.800 -0.024 0.000 0.953 186 D HN 0.381 nan 8.370 nan 0.000 0.478 187 S N -1.181 114.400 115.700 -0.198 0.000 2.503 187 S HA 0.114 4.583 4.470 -0.001 0.000 0.215 187 S C 1.893 176.315 174.600 -0.296 0.000 1.003 187 S CA 0.130 58.206 58.200 -0.207 0.000 0.910 187 S CB 0.517 63.604 63.200 -0.188 0.000 0.790 187 S HN -0.038 nan 8.310 nan 0.000 0.514 188 S N 0.034 115.438 115.700 -0.493 0.000 2.506 188 S HA 0.379 4.848 4.470 -0.001 0.000 0.230 188 S C -0.461 173.837 174.600 -0.503 0.000 1.066 188 S CA -0.112 57.673 58.200 -0.691 0.000 0.940 188 S CB -0.121 62.368 63.200 -1.185 0.000 0.818 188 S HN 0.584 nan 8.310 nan 0.000 0.518 189 Y N 1.633 121.852 120.300 -0.136 0.000 2.420 189 Y HA 0.586 5.135 4.550 -0.001 0.000 0.334 189 Y C -0.027 175.873 175.900 -0.001 0.000 1.094 189 Y CA -2.334 55.750 58.100 -0.027 0.000 1.126 189 Y CB 0.426 38.886 38.460 0.000 0.000 1.217 189 Y HN -0.060 nan 8.280 nan 0.000 0.462 190 D N 3.046 123.577 120.400 0.218 0.000 2.590 190 D HA 0.174 4.814 4.640 -0.001 0.000 0.280 190 D C 1.043 177.398 176.300 0.091 0.000 1.197 190 D CA -0.037 54.027 54.000 0.106 0.000 0.967 190 D CB 0.200 41.049 40.800 0.082 0.000 0.987 190 D HN 0.423 nan 8.370 nan 0.000 0.508 191 I N 1.527 122.146 120.570 0.082 0.000 2.121 191 I HA -0.357 3.812 4.170 -0.001 0.000 0.243 191 I C 2.385 178.498 176.117 -0.007 0.000 1.047 191 I CA 1.411 62.728 61.300 0.027 0.000 1.308 191 I CB -1.475 36.518 38.000 -0.010 0.000 1.015 191 I HN 0.304 nan 8.210 nan 0.000 0.410 192 A N 0.191 123.000 122.820 -0.019 0.000 1.883 192 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 192 A C 2.373 179.939 177.584 -0.030 0.000 1.186 192 A CA 2.210 54.228 52.037 -0.032 0.000 0.624 192 A CB -0.527 18.453 19.000 -0.033 0.000 0.822 192 A HN 0.285 nan 8.150 nan 0.000 0.444 193 K N 0.237 120.634 120.400 -0.004 0.000 1.985 193 K HA -0.078 4.241 4.320 -0.001 0.000 0.210 193 K C 1.819 178.432 176.600 0.021 0.000 1.047 193 K CA 1.766 58.060 56.287 0.013 0.000 0.932 193 K CB -0.572 31.958 32.500 0.049 0.000 0.716 193 K HN 0.694 nan 8.250 nan 0.000 0.439 194 I N -2.034 118.558 120.570 0.036 0.000 2.614 194 I HA -0.109 4.060 4.170 -0.001 0.000 0.258 194 I C 1.443 177.544 176.117 -0.027 0.000 1.189 194 I CA 1.183 62.501 61.300 0.031 0.000 1.462 194 I CB -0.197 37.781 38.000 -0.037 0.000 1.092 194 I HN -0.103 nan 8.210 nan 0.000 0.442 195 S N 1.114 116.784 115.700 -0.051 0.000 2.419 195 S HA -0.152 4.317 4.470 -0.001 0.000 0.233 195 S C 1.926 176.466 174.600 -0.100 0.000 1.016 195 S CA 1.394 59.558 58.200 -0.060 0.000 0.974 195 S CB -0.251 62.920 63.200 -0.049 0.000 0.786 195 S HN 0.634 nan 8.310 nan 0.000 0.492 196 Q N 0.115 119.797 119.800 -0.197 0.000 2.079 196 Q HA -0.077 4.262 4.340 -0.001 0.000 0.200 196 Q C 1.734 177.538 176.000 -0.326 0.000 0.974 196 Q CA 1.127 56.746 55.803 -0.306 0.000 0.840 196 Q CB -0.213 28.233 28.738 -0.487 0.000 0.898 196 Q HN 0.643 nan 8.270 nan 0.000 0.430 197 H N -0.215 118.820 119.070 -0.058 0.000 2.482 197 H HA 0.131 4.686 4.556 -0.002 0.000 0.286 197 H C 0.605 175.881 175.328 -0.087 0.000 1.017 197 H CA 0.410 56.412 56.048 -0.077 0.000 1.322 197 H CB 0.165 29.862 29.762 -0.109 0.000 1.426 197 H HN 0.147 nan 8.280 nan 0.000 0.546 198 L N 1.601 122.822 121.223 -0.003 0.000 2.371 198 L HA 0.046 4.385 4.340 -0.001 0.000 0.272 198 L C 1.220 178.077 176.870 -0.022 0.000 1.124 198 L CA -0.271 54.538 54.840 -0.052 0.000 0.816 198 L CB 1.048 43.056 42.059 -0.086 0.000 1.129 198 L HN 0.007 nan 8.230 nan 0.000 0.448 199 D N 1.877 122.259 120.400 -0.030 0.000 2.234 199 D HA 0.031 4.670 4.640 -0.001 0.000 0.205 199 D C -0.259 176.161 176.300 0.199 0.000 0.962 199 D CA 1.216 55.264 54.000 0.079 0.000 0.855 199 D CB 0.418 41.296 40.800 0.131 0.000 0.951 199 D HN 0.344 nan 8.370 nan 0.000 0.500 200 F N -1.006 118.959 119.950 0.025 0.000 2.725 200 F HA 0.434 4.960 4.527 -0.002 0.000 0.311 200 F C -2.092 173.721 175.800 0.021 0.000 1.121 200 F CA -1.358 56.649 58.000 0.010 0.000 0.978 200 F CB 0.501 39.492 39.000 -0.017 0.000 1.274 200 F HN -0.365 nan 8.300 nan 0.000 0.440 201 I N 2.554 123.300 120.570 0.293 0.000 2.406 201 I HA 0.448 4.617 4.170 -0.001 0.000 0.290 201 I C -0.478 175.807 176.117 0.280 0.000 0.999 201 I CA -0.829 60.579 61.300 0.181 0.000 1.124 201 I CB 2.134 40.174 38.000 0.067 0.000 1.289 201 I HN 0.657 nan 8.210 nan 0.000 0.441 202 S N 6.870 122.742 115.700 0.287 0.000 2.420 202 S HA 0.445 4.914 4.470 -0.001 0.000 0.313 202 S C -0.255 174.454 174.600 0.182 0.000 1.079 202 S CA -0.420 57.956 58.200 0.294 0.000 1.104 202 S CB 0.693 64.154 63.200 0.435 0.000 0.969 202 S HN 0.453 nan 8.310 nan 0.000 0.471 203 I N 4.327 124.974 120.570 0.128 0.000 2.325 203 I HA 0.269 4.438 4.170 -0.001 0.000 0.291 203 I C -0.003 176.102 176.117 -0.020 0.000 1.019 203 I CA -0.772 60.563 61.300 0.059 0.000 1.302 203 I CB 0.608 38.651 38.000 0.071 0.000 1.401 203 I HN 0.630 nan 8.210 nan 0.000 0.485 204 M N 7.235 126.742 119.600 -0.156 0.000 3.593 204 M HA 0.054 4.533 4.480 -0.001 0.000 0.204 204 M C 0.598 176.392 176.300 -0.843 0.000 1.569 204 M CA 0.014 54.951 55.300 -0.604 0.000 1.694 204 M CB -0.790 31.473 32.600 -0.561 0.000 1.149 204 M HN 0.570 nan 8.290 nan 0.000 0.552 205 T N 0.153 114.434 114.554 -0.454 0.000 4.475 205 T HA 0.246 4.595 4.350 -0.001 0.000 0.254 205 T C -0.487 174.109 174.700 -0.174 0.000 1.160 205 T CA -0.229 61.752 62.100 -0.198 0.000 1.091 205 T CB -1.158 67.801 68.868 0.152 0.000 1.377 205 T HN 0.544 nan 8.240 nan 0.000 1.057 206 Y N -2.861 117.203 120.300 -0.392 0.000 2.871 206 Y HA 0.537 5.086 4.550 -0.002 0.000 0.331 206 Y C -0.325 175.415 175.900 -0.267 0.000 1.378 206 Y CA -1.904 56.057 58.100 -0.232 0.000 1.079 206 Y CB -0.059 38.389 38.460 -0.020 0.000 1.441 206 Y HN 0.121 nan 8.280 nan 0.000 0.446 207 D N -0.291 120.455 120.400 0.577 0.000 2.837 207 D HA -0.193 4.447 4.640 -0.001 0.000 0.230 207 D C 0.167 176.560 176.300 0.155 0.000 1.152 207 D CA 1.056 55.271 54.000 0.358 0.000 0.736 207 D CB -1.155 39.769 40.800 0.206 0.000 1.084 207 D HN 0.540 nan 8.370 nan 0.000 0.429 208 F N -0.496 119.643 119.950 0.315 0.000 2.512 208 F HA 0.067 4.594 4.527 -0.001 0.000 0.296 208 F C 1.370 177.323 175.800 0.255 0.000 1.110 208 F CA 0.573 58.711 58.000 0.229 0.000 1.446 208 F CB 0.188 39.297 39.000 0.182 0.000 1.092 208 F HN 0.090 nan 8.300 nan 0.000 0.554 209 H N -0.737 118.564 119.070 0.384 0.000 2.727 209 H HA 0.556 5.111 4.556 -0.001 0.000 0.330 209 H C 0.070 175.549 175.328 0.252 0.000 0.986 209 H CA -0.591 55.602 56.048 0.242 0.000 1.251 209 H CB 0.765 30.661 29.762 0.223 0.000 1.493 209 H HN 0.079 nan 8.280 nan 0.000 0.515 210 G N 1.798 110.589 108.800 -0.015 0.000 2.434 210 G HA2 0.449 4.408 3.960 -0.001 0.000 0.330 210 G HA3 0.449 4.408 3.960 -0.001 0.000 0.330 210 G C 0.754 175.680 174.900 0.042 0.000 1.155 210 G CA -0.257 44.928 45.100 0.141 0.000 0.917 210 G HN 0.807 nan 8.290 nan 0.000 0.493 211 A N 0.956 123.949 122.820 0.289 0.000 2.076 211 A HA -0.084 4.235 4.320 -0.001 0.000 0.220 211 A C 1.911 179.540 177.584 0.075 0.000 1.160 211 A CA 1.834 54.032 52.037 0.269 0.000 0.653 211 A CB -0.776 18.393 19.000 0.280 0.000 0.801 211 A HN 0.970 nan 8.150 nan 0.000 0.455 212 W N 0.757 122.075 121.300 0.029 0.000 2.374 212 W HA -0.185 4.474 4.660 -0.002 0.000 0.288 212 W C 1.530 178.012 176.519 -0.061 0.000 1.218 212 W CA 0.991 58.328 57.345 -0.013 0.000 1.245 212 W CB -0.743 28.709 29.460 -0.013 0.000 1.126 212 W HN 0.305 nan 8.180 nan 0.000 0.545 213 R N 1.215 120.998 120.500 -1.196 0.000 2.200 213 R HA -0.047 4.292 4.340 -0.001 0.000 0.234 213 R C 2.151 178.118 176.300 -0.555 0.000 1.127 213 R CA 1.571 56.891 56.100 -1.300 0.000 0.989 213 R CB -1.082 28.341 30.300 -1.461 0.000 0.869 213 R HN 0.458 nan 8.270 nan 0.000 0.459 214 G N 1.090 109.673 108.800 -0.361 0.000 2.159 214 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.256 214 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.256 214 G C 0.256 174.982 174.900 -0.290 0.000 0.977 214 G CA 0.764 45.723 45.100 -0.234 0.000 0.652 214 G HN 0.557 nan 8.290 nan 0.000 0.531 215 T N -2.305 112.017 114.554 -0.388 0.000 2.883 215 T HA 0.714 5.063 4.350 -0.001 0.000 0.301 215 T C 0.054 174.288 174.700 -0.777 0.000 1.158 215 T CA 0.357 62.181 62.100 -0.459 0.000 1.007 215 T CB 1.757 70.420 68.868 -0.341 0.000 1.186 215 T HN 1.301 nan 8.240 nan 0.000 0.499 216 T N -0.857 113.080 114.554 -1.029 0.000 2.919 216 T HA 0.610 4.959 4.350 -0.001 0.000 0.302 216 T C 0.500 174.358 174.700 -1.404 0.000 1.031 216 T CA -0.196 60.913 62.100 -1.651 0.000 1.127 216 T CB 0.434 67.963 68.868 -2.231 0.000 0.952 216 T HN 1.465 nan 8.240 nan 0.000 0.540 217 G N 0.980 108.984 108.800 -1.327 0.000 2.752 217 G HA2 0.349 4.308 3.960 -0.001 0.000 0.298 217 G HA3 0.349 4.308 3.960 -0.001 0.000 0.298 217 G C -1.375 173.470 174.900 -0.092 0.000 1.434 217 G CA -0.852 43.617 45.100 -1.051 0.000 1.004 217 G HN 0.971 nan 8.290 nan 0.000 0.560 218 H N 1.041 120.189 119.070 0.129 0.000 2.848 218 H HA 0.080 4.636 4.556 -0.001 0.000 0.317 218 H C 1.504 177.017 175.328 0.309 0.000 1.046 218 H CA 0.654 56.893 56.048 0.318 0.000 1.470 218 H CB 1.009 30.896 29.762 0.208 0.000 1.483 218 H HN 0.839 nan 8.280 nan 0.000 0.548 219 H N 1.452 120.686 119.070 0.274 0.000 2.555 219 H HA 0.114 4.669 4.556 -0.001 0.000 0.269 219 H C 0.242 175.875 175.328 0.510 0.000 0.988 219 H CA 0.466 56.741 56.048 0.379 0.000 1.178 219 H CB 0.582 30.480 29.762 0.228 0.000 1.373 219 H HN 0.244 nan 8.280 nan 0.000 0.588 220 S N 1.695 117.518 115.700 0.204 0.000 2.539 220 S HA 0.238 4.707 4.470 -0.001 0.000 0.185 220 S C -2.912 171.736 174.600 0.080 0.000 1.181 220 S CA -1.188 57.109 58.200 0.161 0.000 1.216 220 S CB 0.206 63.274 63.200 -0.221 0.000 1.476 220 S HN 0.275 nan 8.310 nan 0.000 0.395 221 P HA 0.177 nan 4.420 nan 0.000 0.277 221 P C 0.821 177.970 177.300 -0.251 0.000 1.240 221 P CA -0.582 62.384 63.100 -0.223 0.000 0.798 221 P CB 1.144 32.761 31.700 -0.139 0.000 0.979 222 L N 2.404 123.434 121.223 -0.322 0.000 2.068 222 L HA 0.202 4.541 4.340 -0.001 0.000 0.204 222 L C 0.483 176.866 176.870 -0.810 0.000 1.076 222 L CA 1.750 56.234 54.840 -0.593 0.000 0.753 222 L CB -0.727 40.960 42.059 -0.620 0.000 0.910 222 L HN 0.255 nan 8.230 nan 0.000 0.439 223 F N -2.034 117.793 119.950 -0.206 0.000 2.639 223 F HA 0.420 4.946 4.527 -0.001 0.000 0.339 223 F C 1.641 177.360 175.800 -0.134 0.000 1.071 223 F CA -0.731 57.177 58.000 -0.153 0.000 0.994 223 F CB 0.683 39.621 39.000 -0.104 0.000 1.341 223 F HN -0.307 nan 8.300 nan 0.000 0.498 224 R N 0.685 121.252 120.500 0.111 0.000 2.081 224 R HA 0.191 4.530 4.340 -0.001 0.000 0.235 224 R C 0.856 177.158 176.300 0.003 0.000 1.131 224 R CA 1.440 57.540 56.100 -0.000 0.000 0.960 224 R CB -0.548 29.740 30.300 -0.019 0.000 0.856 224 R HN 1.016 nan 8.270 nan 0.000 0.436 225 G N 0.076 108.895 108.800 0.032 0.000 2.584 225 G HA2 -0.366 3.593 3.960 -0.001 0.000 0.229 225 G HA3 -0.366 3.593 3.960 -0.001 0.000 0.229 225 G C -0.991 173.898 174.900 -0.018 0.000 1.320 225 G CA 0.082 45.186 45.100 0.006 0.000 0.891 225 G HN 0.557 nan 8.290 nan 0.000 0.573 226 Q N 0.535 120.324 119.800 -0.019 0.000 2.520 226 Q HA 0.022 4.361 4.340 -0.001 0.000 0.320 226 Q C 1.643 177.619 176.000 -0.040 0.000 1.104 226 Q CA 1.169 56.956 55.803 -0.027 0.000 1.062 226 Q CB 0.167 28.892 28.738 -0.021 0.000 1.005 226 Q HN 0.677 nan 8.270 nan 0.000 0.390 227 E N 3.516 123.690 120.200 -0.043 0.000 2.160 227 E HA -0.272 4.077 4.350 -0.001 0.000 0.195 227 E C 0.114 176.676 176.600 -0.063 0.000 0.991 227 E CA 1.882 58.248 56.400 -0.056 0.000 0.810 227 E CB 0.312 29.982 29.700 -0.050 0.000 0.742 227 E HN 0.746 nan 8.360 nan 0.000 0.466 228 D N -0.154 120.214 120.400 -0.054 0.000 2.183 228 D HA -0.023 4.616 4.640 -0.001 0.000 0.203 228 D C 1.547 177.808 176.300 -0.066 0.000 0.969 228 D CA 1.247 55.213 54.000 -0.056 0.000 0.842 228 D CB -0.032 40.740 40.800 -0.046 0.000 0.957 228 D HN 0.283 nan 8.370 nan 0.000 0.484 229 A N -0.493 122.288 122.820 -0.065 0.000 2.208 229 A HA 0.189 4.508 4.320 -0.001 0.000 0.209 229 A C 0.920 178.450 177.584 -0.089 0.000 1.161 229 A CA 0.191 52.182 52.037 -0.077 0.000 0.782 229 A CB 0.313 19.275 19.000 -0.064 0.000 0.816 229 A HN 0.041 nan 8.150 nan 0.000 0.477 230 S N -0.051 115.596 115.700 -0.087 0.000 2.473 230 S HA 0.473 4.942 4.470 -0.001 0.000 0.307 230 S C -1.820 172.713 174.600 -0.111 0.000 1.094 230 S CA -0.926 57.219 58.200 -0.092 0.000 1.070 230 S CB 1.701 64.846 63.200 -0.093 0.000 1.019 230 S HN 0.160 nan 8.310 nan 0.000 0.480 231 P HA -0.021 nan 4.420 nan 0.000 0.212 231 P C 0.049 177.252 177.300 -0.163 0.000 1.180 231 P CA 0.756 63.785 63.100 -0.118 0.000 0.906 231 P CB 0.064 31.695 31.700 -0.115 0.000 0.782 232 D N -1.485 118.811 120.400 -0.174 0.000 2.304 232 D HA 0.222 4.861 4.640 -0.001 0.000 0.247 232 D C 1.300 177.322 176.300 -0.463 0.000 1.089 232 D CA 0.068 53.890 54.000 -0.297 0.000 0.910 232 D CB 1.138 41.831 40.800 -0.179 0.000 1.199 232 D HN -0.152 nan 8.370 nan 0.000 0.426 233 R N 2.214 122.183 120.500 -0.886 0.000 2.254 233 R HA 0.040 4.379 4.340 -0.001 0.000 0.195 233 R C 1.468 177.190 176.300 -0.964 0.000 0.957 233 R CA 0.921 56.463 56.100 -0.929 0.000 1.024 233 R CB -0.705 28.934 30.300 -1.102 0.000 0.952 233 R HN 0.538 nan 8.270 nan 0.000 0.484 234 F N -0.850 118.789 119.950 -0.518 0.000 2.724 234 F HA 0.347 4.873 4.527 -0.001 0.000 0.306 234 F C 1.067 176.650 175.800 -0.362 0.000 1.100 234 F CA -0.702 56.859 58.000 -0.733 0.000 1.255 234 F CB 0.046 38.401 39.000 -1.075 0.000 1.072 234 F HN -0.115 nan 8.300 nan 0.000 0.589 235 S N 2.504 118.081 115.700 -0.205 0.000 3.988 235 S HA 0.146 4.615 4.470 -0.001 0.000 0.180 235 S C -0.250 173.753 174.600 -0.996 0.000 1.242 235 S CA -0.129 57.886 58.200 -0.308 0.000 0.947 235 S CB -1.765 61.459 63.200 0.041 0.000 1.519 235 S HN 0.632 nan 8.310 nan 0.000 0.439 236 N N -2.445 115.416 118.700 -1.399 0.000 2.710 236 N HA 0.270 5.009 4.740 -0.001 0.000 0.257 236 N C 0.397 175.449 175.510 -0.763 0.000 1.327 236 N CA -0.860 51.499 53.050 -1.151 0.000 0.861 236 N CB 0.189 38.408 38.487 -0.447 0.000 1.532 236 N HN -0.177 nan 8.380 nan 0.000 0.499 237 T N -0.528 113.817 114.554 -0.349 0.000 2.635 237 T HA -0.238 4.111 4.350 -0.001 0.000 0.267 237 T C 1.006 175.610 174.700 -0.160 0.000 1.040 237 T CA 2.161 64.217 62.100 -0.073 0.000 1.156 237 T CB -0.691 68.087 68.868 -0.150 0.000 0.863 237 T HN 0.806 nan 8.240 nan 0.000 0.430 238 D N -0.141 120.023 120.400 -0.393 0.000 2.133 238 D HA -0.198 4.441 4.640 -0.001 0.000 0.192 238 D C 1.879 178.199 176.300 0.033 0.000 1.001 238 D CA 1.421 55.244 54.000 -0.295 0.000 0.844 238 D CB -0.395 40.186 40.800 -0.365 0.000 0.944 238 D HN 0.499 nan 8.370 nan 0.000 0.447 239 Y N 0.695 120.982 120.300 -0.021 0.000 2.097 239 Y HA -0.180 4.369 4.550 -0.001 0.000 0.282 239 Y C 2.297 178.282 175.900 0.142 0.000 1.152 239 Y CA 2.313 60.462 58.100 0.080 0.000 1.136 239 Y CB -0.875 37.627 38.460 0.072 0.000 0.975 239 Y HN 0.064 nan 8.280 nan 0.000 0.498 240 A N -0.425 122.499 122.820 0.173 0.000 1.892 240 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 240 A C 2.370 180.017 177.584 0.105 0.000 1.188 240 A CA 2.402 54.558 52.037 0.199 0.000 0.631 240 A CB -1.464 17.748 19.000 0.353 0.000 0.822 240 A HN 0.376 nan 8.150 nan 0.000 0.447 241 V N -0.166 119.813 119.914 0.108 0.000 2.233 241 V HA -0.210 3.909 4.120 -0.001 0.000 0.247 241 V C 2.869 178.995 176.094 0.052 0.000 1.050 241 V CA 2.182 64.550 62.300 0.114 0.000 1.010 241 V CB -1.568 30.390 31.823 0.226 0.000 0.637 241 V HN 0.630 nan 8.190 nan 0.000 0.444 242 G N -1.742 107.080 108.800 0.037 0.000 2.440 242 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.218 242 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.218 242 G C 1.591 176.448 174.900 -0.073 0.000 1.154 242 G CA 1.270 46.363 45.100 -0.011 0.000 0.767 242 G HN 0.573 nan 8.290 nan 0.000 0.552 243 Y N 0.387 120.485 120.300 -0.337 0.000 2.314 243 Y HA 0.068 4.618 4.550 -0.001 0.000 0.293 243 Y C 2.787 178.599 175.900 -0.146 0.000 1.129 243 Y CA 1.170 59.067 58.100 -0.337 0.000 1.201 243 Y CB -0.022 38.066 38.460 -0.621 0.000 0.999 243 Y HN 0.060 nan 8.280 nan 0.000 0.541 244 M N -0.442 119.103 119.600 -0.092 0.000 2.132 244 M HA -0.198 4.281 4.480 -0.001 0.000 0.263 244 M C 2.122 178.342 176.300 -0.132 0.000 1.065 244 M CA 1.563 56.802 55.300 -0.102 0.000 1.122 244 M CB -0.841 31.766 32.600 0.011 0.000 1.365 244 M HN 0.376 nan 8.290 nan 0.000 0.411 245 L N -1.052 120.117 121.223 -0.090 0.000 2.083 245 L HA -0.191 4.149 4.340 -0.001 0.000 0.209 245 L C 2.513 179.318 176.870 -0.108 0.000 1.083 245 L CA 1.034 55.829 54.840 -0.075 0.000 0.752 245 L CB -0.743 41.290 42.059 -0.044 0.000 0.899 245 L HN 0.311 nan 8.230 nan 0.000 0.433 246 R N 0.681 121.087 120.500 -0.156 0.000 2.285 246 R HA -0.076 4.263 4.340 -0.001 0.000 0.213 246 R C 1.781 177.949 176.300 -0.220 0.000 1.068 246 R CA 0.764 56.764 56.100 -0.168 0.000 1.004 246 R CB 0.035 30.234 30.300 -0.170 0.000 0.873 246 R HN 0.382 nan 8.270 nan 0.000 0.467 247 L N -0.960 120.099 121.223 -0.274 0.000 2.607 247 L HA 0.283 4.622 4.340 -0.001 0.000 0.228 247 L C 0.902 177.693 176.870 -0.131 0.000 1.123 247 L CA 0.494 55.189 54.840 -0.241 0.000 0.890 247 L CB 0.841 42.713 42.059 -0.313 0.000 1.103 247 L HN 0.521 nan 8.230 nan 0.000 0.468 248 G N 0.015 108.751 108.800 -0.106 0.000 2.154 248 G HA2 -0.174 3.786 3.960 -0.001 0.000 0.186 248 G HA3 -0.174 3.786 3.960 -0.001 0.000 0.186 248 G C 0.243 175.110 174.900 -0.056 0.000 1.000 248 G CA -0.187 44.871 45.100 -0.070 0.000 0.664 248 G HN 0.347 nan 8.290 nan 0.000 0.513 249 A N 1.099 123.886 122.820 -0.056 0.000 2.343 249 A HA 0.700 5.019 4.320 -0.001 0.000 0.305 249 A C -1.705 175.866 177.584 -0.021 0.000 1.308 249 A CA -1.111 50.905 52.037 -0.034 0.000 0.949 249 A CB 0.179 19.163 19.000 -0.027 0.000 1.148 249 A HN 0.126 nan 8.150 nan 0.000 0.545 250 P HA 0.073 nan 4.420 nan 0.000 0.262 250 P C 1.004 178.308 177.300 0.008 0.000 1.182 250 P CA 0.657 63.753 63.100 -0.007 0.000 0.761 250 P CB 0.927 32.624 31.700 -0.005 0.000 0.795 251 A N 3.633 126.456 122.820 0.005 0.000 1.978 251 A HA -0.201 4.118 4.320 -0.001 0.000 0.220 251 A C 2.056 179.660 177.584 0.034 0.000 1.170 251 A CA 2.179 54.225 52.037 0.015 0.000 0.636 251 A CB -1.439 17.564 19.000 0.006 0.000 0.810 251 A HN 0.590 nan 8.150 nan 0.000 0.448 252 S N -0.900 114.817 115.700 0.030 0.000 2.507 252 S HA -0.017 4.452 4.470 -0.001 0.000 0.235 252 S C 1.345 175.977 174.600 0.054 0.000 0.988 252 S CA 1.243 59.465 58.200 0.038 0.000 0.944 252 S CB -0.122 63.091 63.200 0.023 0.000 0.762 252 S HN 0.620 nan 8.310 nan 0.000 0.526 253 K N -0.073 120.363 120.400 0.060 0.000 2.374 253 K HA 0.348 4.667 4.320 -0.001 0.000 0.202 253 K C -0.759 175.912 176.600 0.118 0.000 1.040 253 K CA -0.251 56.095 56.287 0.098 0.000 1.085 253 K CB 0.425 32.970 32.500 0.075 0.000 0.873 253 K HN 0.249 nan 8.250 nan 0.000 0.539 254 L N 1.842 123.115 121.223 0.084 0.000 2.272 254 L HA 0.271 4.610 4.340 -0.001 0.000 0.289 254 L C -0.879 176.041 176.870 0.084 0.000 1.032 254 L CA -0.618 54.275 54.840 0.088 0.000 0.810 254 L CB 1.456 43.550 42.059 0.059 0.000 1.205 254 L HN -0.251 nan 8.230 nan 0.000 0.422 255 V N 5.980 125.960 119.914 0.110 0.000 2.398 255 V HA 0.416 4.535 4.120 -0.001 0.000 0.286 255 V C 0.251 176.411 176.094 0.110 0.000 1.026 255 V CA -0.580 61.766 62.300 0.076 0.000 0.868 255 V CB 1.450 33.298 31.823 0.042 0.000 0.982 255 V HN 0.819 nan 8.190 nan 0.000 0.443 256 M N 4.040 123.696 119.600 0.095 0.000 2.108 256 M HA 0.526 5.005 4.480 -0.001 0.000 0.354 256 M C 0.650 177.038 176.300 0.148 0.000 1.229 256 M CA -0.195 55.175 55.300 0.117 0.000 1.081 256 M CB 0.628 33.296 32.600 0.114 0.000 1.606 256 M HN 0.855 nan 8.290 nan 0.000 0.467 257 G N 6.292 115.197 108.800 0.176 0.000 2.378 257 G HA2 0.493 4.452 3.960 -0.001 0.000 0.255 257 G HA3 0.493 4.452 3.960 -0.001 0.000 0.255 257 G C -0.704 174.388 174.900 0.320 0.000 1.270 257 G CA -0.504 44.769 45.100 0.289 0.000 0.876 257 G HN 0.801 nan 8.290 nan 0.000 0.521 258 I N 4.335 125.108 120.570 0.340 0.000 2.466 258 I HA 0.322 4.491 4.170 -0.001 0.000 0.289 258 I C -2.185 174.077 176.117 0.242 0.000 1.026 258 I CA -2.319 59.126 61.300 0.242 0.000 1.078 258 I CB 3.213 41.294 38.000 0.134 0.000 1.249 258 I HN 0.326 nan 8.210 nan 0.000 0.429 259 P HA 0.189 nan 4.420 nan 0.000 0.288 259 P C 0.128 177.422 177.300 -0.011 0.000 1.267 259 P CA -0.311 62.748 63.100 -0.069 0.000 0.815 259 P CB 1.461 32.841 31.700 -0.532 0.000 0.989 260 T N -0.642 113.998 114.554 0.143 0.000 3.176 260 T HA 0.363 4.712 4.350 -0.001 0.000 0.263 260 T C 0.252 175.099 174.700 0.244 0.000 1.021 260 T CA -0.354 61.830 62.100 0.140 0.000 0.905 260 T CB -0.984 67.983 68.868 0.165 0.000 1.057 260 T HN 0.385 nan 8.240 nan 0.000 0.558 261 F N -0.752 119.269 119.950 0.119 0.000 2.603 261 F HA 0.921 5.447 4.527 -0.002 0.000 0.317 261 F C -0.109 175.762 175.800 0.119 0.000 1.066 261 F CA -1.771 56.270 58.000 0.069 0.000 0.941 261 F CB 1.049 40.055 39.000 0.011 0.000 1.291 261 F HN 0.069 nan 8.300 nan 0.000 0.472 262 G N 0.924 109.764 108.800 0.067 0.000 2.511 262 G HA2 0.627 4.586 3.960 -0.001 0.000 0.318 262 G HA3 0.627 4.586 3.960 -0.001 0.000 0.318 262 G C -1.445 173.349 174.900 -0.176 0.000 1.210 262 G CA -1.253 43.814 45.100 -0.055 0.000 0.969 262 G HN 0.567 nan 8.290 nan 0.000 0.484 263 R N 0.420 120.713 120.500 -0.344 0.000 2.338 263 R HA 0.517 4.856 4.340 -0.001 0.000 0.317 263 R C 0.060 176.066 176.300 -0.490 0.000 0.968 263 R CA -0.470 55.383 56.100 -0.411 0.000 0.849 263 R CB 1.315 31.350 30.300 -0.443 0.000 1.128 263 R HN 0.709 nan 8.270 nan 0.000 0.448 264 S N 2.064 117.427 115.700 -0.561 0.000 2.681 264 S HA 0.825 5.294 4.470 -0.001 0.000 0.299 264 S C -0.480 173.648 174.600 -0.787 0.000 1.113 264 S CA -0.590 57.295 58.200 -0.524 0.000 1.013 264 S CB 1.366 64.390 63.200 -0.293 0.000 1.076 264 S HN 0.330 nan 8.310 nan 0.000 0.534 265 F N -0.819 119.210 119.950 0.132 0.000 2.626 265 F HA 0.515 5.042 4.527 -0.001 0.000 0.311 265 F C 0.046 175.905 175.800 0.098 0.000 1.088 265 F CA -0.834 57.216 58.000 0.082 0.000 0.949 265 F CB 2.064 41.075 39.000 0.017 0.000 1.322 265 F HN 0.490 nan 8.300 nan 0.000 0.461 266 T N 3.582 118.290 114.554 0.257 0.000 2.801 266 T HA 0.503 4.852 4.350 -0.001 0.000 0.306 266 T C 0.062 174.844 174.700 0.136 0.000 1.020 266 T CA -0.518 61.687 62.100 0.175 0.000 0.948 266 T CB 0.022 68.962 68.868 0.120 0.000 0.962 266 T HN 0.300 nan 8.240 nan 0.000 0.465 267 L N 1.908 123.217 121.223 0.144 0.000 2.492 267 L HA 0.251 4.590 4.340 -0.001 0.000 0.280 267 L C 1.381 178.279 176.870 0.046 0.000 1.240 267 L CA -0.229 54.655 54.840 0.073 0.000 0.831 267 L CB 0.206 42.335 42.059 0.116 0.000 1.100 267 L HN 0.714 nan 8.230 nan 0.000 0.505 268 A N 0.643 123.467 122.820 0.006 0.000 2.419 268 A HA 0.299 4.618 4.320 -0.001 0.000 0.233 268 A C 0.663 178.250 177.584 0.004 0.000 1.217 268 A CA 0.542 52.582 52.037 0.005 0.000 0.944 268 A CB 0.215 19.205 19.000 -0.016 0.000 1.025 268 A HN 0.766 nan 8.150 nan 0.000 0.524 269 S N -1.467 114.236 115.700 0.005 0.000 2.998 269 S HA 0.409 4.878 4.470 -0.001 0.000 0.321 269 S C 0.818 175.434 174.600 0.028 0.000 1.171 269 S CA 0.541 58.746 58.200 0.008 0.000 0.882 269 S CB 0.497 63.691 63.200 -0.010 0.000 1.301 269 S HN 0.663 nan 8.310 nan 0.000 0.629 270 S N -0.696 115.019 115.700 0.026 0.000 2.558 270 S HA 0.236 4.705 4.470 -0.001 0.000 0.217 270 S C 0.128 174.757 174.600 0.049 0.000 0.975 270 S CA -0.262 57.965 58.200 0.044 0.000 0.912 270 S CB -0.690 62.533 63.200 0.037 0.000 0.776 270 S HN 0.672 nan 8.310 nan 0.000 0.526 271 E N 2.164 122.377 120.200 0.023 0.000 2.324 271 E HA 0.209 4.558 4.350 -0.001 0.000 0.271 271 E C 0.504 177.126 176.600 0.036 0.000 1.028 271 E CA 0.378 56.784 56.400 0.010 0.000 0.890 271 E CB 0.771 30.448 29.700 -0.040 0.000 1.004 271 E HN 0.555 nan 8.360 nan 0.000 0.431 272 T N -0.593 114.017 114.554 0.094 0.000 3.111 272 T HA 0.260 4.609 4.350 -0.001 0.000 0.284 272 T C 0.719 175.594 174.700 0.293 0.000 0.983 272 T CA -0.322 61.925 62.100 0.245 0.000 0.900 272 T CB 0.569 69.648 68.868 0.351 0.000 1.132 272 T HN 0.364 nan 8.240 nan 0.000 0.531 273 G N 1.130 109.976 108.800 0.077 0.000 2.543 273 G HA2 0.523 4.482 3.960 -0.001 0.000 0.290 273 G HA3 0.523 4.482 3.960 -0.001 0.000 0.290 273 G C -0.439 174.358 174.900 -0.172 0.000 1.310 273 G CA -0.631 44.489 45.100 0.034 0.000 1.025 273 G HN 0.302 nan 8.290 nan 0.000 0.502 274 V N 0.675 120.497 119.914 -0.154 0.000 2.529 274 V HA 0.427 4.546 4.120 -0.001 0.000 0.292 274 V C 1.499 177.408 176.094 -0.308 0.000 1.028 274 V CA 1.783 63.922 62.300 -0.268 0.000 1.074 274 V CB 0.328 32.089 31.823 -0.103 0.000 0.958 274 V HN 1.770 nan 8.190 nan 0.000 0.481 275 G N 3.787 112.310 108.800 -0.462 0.000 2.176 275 G HA2 -0.096 3.863 3.960 -0.001 0.000 0.232 275 G HA3 -0.096 3.863 3.960 -0.001 0.000 0.232 275 G C 0.438 175.130 174.900 -0.348 0.000 0.986 275 G CA 0.128 45.011 45.100 -0.360 0.000 0.643 275 G HN 1.447 nan 8.290 nan 0.000 0.522 276 A N 0.779 123.353 122.820 -0.410 0.000 2.448 276 A HA 0.621 4.940 4.320 -0.001 0.000 0.239 276 A C -1.556 175.829 177.584 -0.331 0.000 1.080 276 A CA -0.242 51.604 52.037 -0.319 0.000 0.779 276 A CB 0.071 18.889 19.000 -0.303 0.000 1.026 276 A HN 0.213 nan 8.150 nan 0.000 0.499 277 P HA 0.382 nan 4.420 nan 0.000 0.271 277 P C -0.533 176.661 177.300 -0.178 0.000 1.216 277 P CA 0.165 63.156 63.100 -0.183 0.000 0.776 277 P CB 0.490 32.122 31.700 -0.113 0.000 0.881 278 I N -1.349 119.120 120.570 -0.168 0.000 2.892 278 I HA 0.579 4.748 4.170 -0.001 0.000 0.306 278 I C 0.504 176.597 176.117 -0.040 0.000 1.078 278 I CA -0.830 60.407 61.300 -0.105 0.000 1.032 278 I CB 2.568 40.480 38.000 -0.146 0.000 1.229 278 I HN 0.202 nan 8.210 nan 0.000 0.435 279 S N 1.368 117.075 115.700 0.012 0.000 2.539 279 S HA 0.711 5.181 4.470 -0.001 0.000 0.221 279 S C 0.602 175.232 174.600 0.050 0.000 0.987 279 S CA 0.151 58.366 58.200 0.026 0.000 0.929 279 S CB -0.030 63.190 63.200 0.033 0.000 0.832 279 S HN 1.621 nan 8.310 nan 0.000 0.492 280 G N 1.512 110.360 108.800 0.080 0.000 2.352 280 G HA2 0.293 4.252 3.960 -0.001 0.000 0.283 280 G HA3 0.293 4.252 3.960 -0.001 0.000 0.283 280 G C -3.474 171.527 174.900 0.168 0.000 1.308 280 G CA -0.579 44.587 45.100 0.110 0.000 0.892 280 G HN 0.116 nan 8.290 nan 0.000 0.504 281 P HA 0.387 nan 4.420 nan 0.000 0.271 281 P C 0.807 178.139 177.300 0.053 0.000 1.233 281 P CA 0.699 63.850 63.100 0.086 0.000 0.789 281 P CB 0.489 32.209 31.700 0.034 0.000 0.951 282 G N 0.556 109.340 108.800 -0.026 0.000 2.599 282 G HA2 0.348 4.308 3.960 -0.001 0.000 0.264 282 G HA3 0.348 4.308 3.960 -0.001 0.000 0.264 282 G C 0.156 175.051 174.900 -0.009 0.000 1.200 282 G CA -0.878 44.215 45.100 -0.010 0.000 0.896 282 G HN 0.440 nan 8.290 nan 0.000 0.536 283 I N 1.537 122.115 120.570 0.013 0.000 2.648 283 I HA 0.062 4.231 4.170 -0.001 0.000 0.284 283 I C -1.691 174.421 176.117 -0.008 0.000 1.153 283 I CA -1.181 60.130 61.300 0.019 0.000 1.426 283 I CB 0.999 39.027 38.000 0.048 0.000 1.381 283 I HN 0.221 nan 8.210 nan 0.000 0.571 284 P HA 0.026 nan 4.420 nan 0.000 0.267 284 P C 0.040 177.336 177.300 -0.007 0.000 1.200 284 P CA -0.127 62.967 63.100 -0.009 0.000 0.772 284 P CB 0.445 32.147 31.700 0.002 0.000 0.855 285 G N 1.609 110.403 108.800 -0.010 0.000 2.503 285 G HA2 0.042 4.001 3.960 -0.001 0.000 0.257 285 G HA3 0.042 4.001 3.960 -0.001 0.000 0.257 285 G C 0.924 175.830 174.900 0.010 0.000 1.214 285 G CA -0.486 44.619 45.100 0.008 0.000 0.839 285 G HN 0.519 nan 8.290 nan 0.000 0.559 286 R N 0.652 121.138 120.500 -0.024 0.000 2.105 286 R HA -0.091 4.248 4.340 -0.001 0.000 0.239 286 R C 1.371 177.497 176.300 -0.289 0.000 1.135 286 R CA 1.627 57.602 56.100 -0.208 0.000 0.967 286 R CB -0.178 29.891 30.300 -0.385 0.000 0.861 286 R HN 0.584 nan 8.270 nan 0.000 0.442 287 F N -0.932 119.095 119.950 0.129 0.000 2.437 287 F HA 0.071 4.597 4.527 -0.001 0.000 0.288 287 F C 2.516 178.399 175.800 0.137 0.000 1.085 287 F CA 1.043 59.146 58.000 0.172 0.000 1.430 287 F CB -0.239 38.943 39.000 0.302 0.000 1.120 287 F HN 0.058 nan 8.300 nan 0.000 0.556 288 T N -2.540 112.164 114.554 0.251 0.000 3.067 288 T HA 0.007 4.356 4.350 -0.001 0.000 0.261 288 T C 0.802 175.566 174.700 0.106 0.000 1.110 288 T CA -0.047 62.147 62.100 0.155 0.000 1.113 288 T CB -0.538 68.366 68.868 0.059 0.000 0.917 288 T HN 0.130 nan 8.240 nan 0.000 0.499 289 K N 1.702 122.149 120.400 0.077 0.000 3.540 289 K HA -0.197 4.122 4.320 -0.001 0.000 0.274 289 K C -0.299 176.319 176.600 0.031 0.000 0.890 289 K CA 0.687 57.001 56.287 0.045 0.000 0.701 289 K CB -1.316 31.217 32.500 0.055 0.000 1.523 289 K HN 0.741 nan 8.250 nan 0.000 0.450 290 E N 0.220 120.427 120.200 0.012 0.000 2.361 290 E HA 0.384 4.733 4.350 -0.001 0.000 0.270 290 E C -0.815 175.772 176.600 -0.023 0.000 0.911 290 E CA -0.379 56.018 56.400 -0.004 0.000 0.818 290 E CB 1.219 30.913 29.700 -0.011 0.000 1.332 290 E HN 0.363 nan 8.360 nan 0.000 0.402 291 A N 2.554 125.364 122.820 -0.015 0.000 2.584 291 A HA 0.376 4.695 4.320 -0.001 0.000 0.239 291 A C 1.322 178.877 177.584 -0.049 0.000 1.043 291 A CA 1.293 53.316 52.037 -0.022 0.000 0.756 291 A CB -0.374 18.626 19.000 -0.000 0.000 0.963 291 A HN 1.242 nan 8.150 nan 0.000 0.511 292 G N 1.892 110.639 108.800 -0.087 0.000 2.176 292 G HA2 -0.160 3.800 3.960 -0.001 0.000 0.253 292 G HA3 -0.160 3.800 3.960 -0.001 0.000 0.253 292 G C 0.329 175.129 174.900 -0.168 0.000 0.979 292 G CA 0.580 45.586 45.100 -0.158 0.000 0.641 292 G HN 1.379 nan 8.290 nan 0.000 0.530 293 T N 0.551 115.036 114.554 -0.115 0.000 2.876 293 T HA 0.719 5.068 4.350 -0.001 0.000 0.289 293 T C -0.495 174.155 174.700 -0.083 0.000 1.014 293 T CA -0.398 61.654 62.100 -0.081 0.000 0.986 293 T CB 2.021 70.842 68.868 -0.078 0.000 1.021 293 T HN 0.427 nan 8.240 nan 0.000 0.458 294 L N 2.081 123.266 121.223 -0.064 0.000 2.505 294 L HA 0.668 5.007 4.340 -0.001 0.000 0.266 294 L C 0.137 176.947 176.870 -0.101 0.000 0.954 294 L CA -1.207 53.560 54.840 -0.122 0.000 0.852 294 L CB 1.790 43.726 42.059 -0.204 0.000 1.282 294 L HN 0.765 nan 8.230 nan 0.000 0.403 295 A N 1.423 124.090 122.820 -0.255 0.000 2.366 295 A HA 0.119 4.438 4.320 -0.001 0.000 0.249 295 A C 0.495 177.891 177.584 -0.313 0.000 1.084 295 A CA 0.152 51.977 52.037 -0.352 0.000 0.794 295 A CB 0.131 18.564 19.000 -0.946 0.000 1.034 295 A HN 0.764 nan 8.150 nan 0.000 0.491 296 Y N 1.479 121.644 120.300 -0.226 0.000 2.207 296 Y HA -0.325 4.224 4.550 -0.001 0.000 0.287 296 Y C 1.991 177.800 175.900 -0.151 0.000 1.156 296 Y CA 2.803 60.828 58.100 -0.125 0.000 1.182 296 Y CB -0.676 37.796 38.460 0.019 0.000 0.979 296 Y HN 0.826 nan 8.280 nan 0.000 0.521 297 Y N -1.058 119.077 120.300 -0.276 0.000 2.352 297 Y HA -0.005 4.545 4.550 -0.001 0.000 0.292 297 Y C 1.845 177.471 175.900 -0.457 0.000 1.136 297 Y CA 1.146 58.938 58.100 -0.512 0.000 1.227 297 Y CB -1.197 36.747 38.460 -0.861 0.000 0.991 297 Y HN 0.158 nan 8.280 nan 0.000 0.545 298 E N 0.738 120.663 120.200 -0.458 0.000 2.158 298 E HA -0.043 4.306 4.350 -0.001 0.000 0.191 298 E C 2.053 178.589 176.600 -0.106 0.000 0.982 298 E CA 1.031 57.343 56.400 -0.146 0.000 0.823 298 E CB -0.125 29.464 29.700 -0.186 0.000 0.766 298 E HN 0.563 nan 8.360 nan 0.000 0.468 299 I N 0.596 121.008 120.570 -0.263 0.000 2.315 299 I HA -0.274 3.896 4.170 -0.001 0.000 0.248 299 I C 2.239 178.219 176.117 -0.228 0.000 1.117 299 I CA 0.490 61.615 61.300 -0.291 0.000 1.404 299 I CB -0.196 37.496 38.000 -0.512 0.000 1.071 299 I HN 0.234 nan 8.210 nan 0.000 0.419 300 c N 0.583 118.986 118.600 -0.328 0.000 2.411 300 c HA -0.173 4.396 4.570 -0.001 0.000 0.279 300 c C 2.406 176.481 174.090 -0.025 0.000 1.288 300 c CA 0.821 57.021 56.329 -0.214 0.000 1.764 300 c CB -1.007 41.370 42.510 -0.223 0.000 1.974 300 c HN 0.516 nan 8.230 nan 0.000 0.498 301 D N -0.179 120.262 120.400 0.069 0.000 2.091 301 D HA -0.091 4.548 4.640 -0.001 0.000 0.199 301 D C 1.775 178.127 176.300 0.087 0.000 0.980 301 D CA 0.925 55.000 54.000 0.124 0.000 0.831 301 D CB -0.542 40.392 40.800 0.223 0.000 0.987 301 D HN 0.443 nan 8.370 nan 0.000 0.460 302 F N 1.491 121.412 119.950 -0.049 0.000 2.120 302 F HA -0.182 4.344 4.527 -0.001 0.000 0.300 302 F C 2.061 177.820 175.800 -0.067 0.000 1.095 302 F CA 1.186 59.150 58.000 -0.060 0.000 1.249 302 F CB -0.289 38.650 39.000 -0.101 0.000 0.995 302 F HN -0.070 nan 8.300 nan 0.000 0.480 303 L N 0.203 121.422 121.223 -0.008 0.000 2.349 303 L HA -0.164 4.175 4.340 -0.001 0.000 0.220 303 L C 0.881 177.674 176.870 -0.128 0.000 1.130 303 L CA 0.660 55.452 54.840 -0.080 0.000 0.791 303 L CB -0.711 41.328 42.059 -0.034 0.000 0.918 303 L HN -0.038 nan 8.230 nan 0.000 0.444 304 R N 0.910 121.341 120.500 -0.116 0.000 2.402 304 R HA 0.164 4.504 4.340 -0.001 0.000 0.331 304 R C 1.048 177.261 176.300 -0.144 0.000 1.040 304 R CA 0.676 56.717 56.100 -0.098 0.000 0.980 304 R CB -0.092 30.173 30.300 -0.058 0.000 0.967 304 R HN 0.326 nan 8.270 nan 0.000 0.440 305 G N 1.346 110.071 108.800 -0.124 0.000 2.141 305 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.242 305 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.242 305 G C 0.067 174.865 174.900 -0.169 0.000 0.982 305 G CA 0.045 45.069 45.100 -0.125 0.000 0.662 305 G HN 0.800 nan 8.290 nan 0.000 0.527 306 A N -0.673 122.020 122.820 -0.211 0.000 2.299 306 A HA 0.909 5.228 4.320 -0.001 0.000 0.332 306 A C 0.244 177.750 177.584 -0.130 0.000 1.131 306 A CA 0.340 52.239 52.037 -0.230 0.000 0.844 306 A CB 1.238 19.987 19.000 -0.419 0.000 1.251 306 A HN 0.676 nan 8.150 nan 0.000 0.486 307 T N 0.965 115.462 114.554 -0.095 0.000 2.795 307 T HA 0.504 4.853 4.350 -0.001 0.000 0.282 307 T C -0.492 174.049 174.700 -0.265 0.000 0.980 307 T CA -0.214 61.784 62.100 -0.170 0.000 1.012 307 T CB 1.057 69.847 68.868 -0.128 0.000 0.936 307 T HN 0.410 nan 8.240 nan 0.000 0.457 308 V N 5.123 124.825 119.914 -0.353 0.000 2.435 308 V HA 0.364 4.483 4.120 -0.001 0.000 0.290 308 V C -0.283 175.439 176.094 -0.620 0.000 1.030 308 V CA -0.783 61.313 62.300 -0.340 0.000 0.881 308 V CB 0.996 32.752 31.823 -0.111 0.000 0.983 308 V HN 0.833 nan 8.190 nan 0.000 0.445 309 H N 4.596 123.345 119.070 -0.535 0.000 2.529 309 H HA 0.492 5.047 4.556 -0.001 0.000 0.348 309 H C -0.401 174.672 175.328 -0.425 0.000 1.079 309 H CA -0.864 54.854 56.048 -0.550 0.000 1.198 309 H CB 1.906 31.139 29.762 -0.882 0.000 1.521 309 H HN 0.410 nan 8.280 nan 0.000 0.514 310 R N 2.980 123.427 120.500 -0.087 0.000 2.234 310 R HA 0.260 4.599 4.340 -0.001 0.000 0.324 310 R C 0.182 176.504 176.300 0.037 0.000 1.054 310 R CA -0.502 55.572 56.100 -0.043 0.000 0.912 310 R CB 0.576 30.859 30.300 -0.029 0.000 1.030 310 R HN 0.556 nan 8.270 nan 0.000 0.455 311 I N 5.551 126.165 120.570 0.073 0.000 2.329 311 I HA 0.070 4.239 4.170 -0.001 0.000 0.295 311 I C 0.832 176.984 176.117 0.058 0.000 1.109 311 I CA -0.223 61.155 61.300 0.131 0.000 1.297 311 I CB 0.261 38.367 38.000 0.177 0.000 1.433 311 I HN 0.279 nan 8.210 nan 0.000 0.509 312 L N 6.227 127.482 121.223 0.053 0.000 2.514 312 L HA 0.068 4.407 4.340 -0.001 0.000 0.280 312 L C 1.547 178.428 176.870 0.017 0.000 1.223 312 L CA 0.915 55.770 54.840 0.025 0.000 0.864 312 L CB 0.165 42.236 42.059 0.019 0.000 1.118 312 L HN 0.968 nan 8.230 nan 0.000 0.494 313 G N 1.448 110.249 108.800 0.001 0.000 2.417 313 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.233 313 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.233 313 G C 0.900 175.842 174.900 0.069 0.000 1.103 313 G CA 0.440 45.537 45.100 -0.005 0.000 0.647 313 G HN 0.643 nan 8.290 nan 0.000 0.512 314 Q N -0.272 119.560 119.800 0.054 0.000 2.402 314 Q HA 0.156 4.495 4.340 -0.001 0.000 0.206 314 Q C 1.073 177.075 176.000 0.003 0.000 0.919 314 Q CA 0.699 56.522 55.803 0.033 0.000 0.923 314 Q CB 0.273 28.985 28.738 -0.042 0.000 1.048 314 Q HN 0.624 nan 8.270 nan 0.000 0.515 315 Q N -0.681 119.131 119.800 0.020 0.000 2.481 315 Q HA -0.148 4.191 4.340 -0.001 0.000 0.258 315 Q C -0.366 175.576 176.000 -0.097 0.000 0.961 315 Q CA 1.145 56.948 55.803 -0.001 0.000 1.121 315 Q CB -2.445 26.343 28.738 0.084 0.000 1.503 315 Q HN 0.348 nan 8.270 nan 0.000 0.544 316 V N -3.504 116.304 119.914 -0.175 0.000 3.040 316 V HA 0.930 5.050 4.120 -0.001 0.000 0.312 316 V C -2.591 173.395 176.094 -0.179 0.000 1.115 316 V CA -2.191 59.939 62.300 -0.283 0.000 0.998 316 V CB 2.664 34.055 31.823 -0.720 0.000 1.042 316 V HN -0.106 nan 8.190 nan 0.000 0.433 317 P HA 0.593 nan 4.420 nan 0.000 0.287 317 P C -2.114 175.089 177.300 -0.162 0.000 1.290 317 P CA -0.473 62.497 63.100 -0.216 0.000 0.889 317 P CB 1.928 33.425 31.700 -0.339 0.000 1.190 318 Y N -1.373 118.837 120.300 -0.150 0.000 2.492 318 Y HA 0.824 5.373 4.550 -0.001 0.000 0.346 318 Y C -1.632 174.209 175.900 -0.098 0.000 0.997 318 Y CA -1.611 56.335 58.100 -0.257 0.000 1.025 318 Y CB 1.002 39.035 38.460 -0.712 0.000 1.263 318 Y HN 0.574 nan 8.280 nan 0.000 0.454 319 A N 2.045 124.965 122.820 0.167 0.000 2.355 319 A HA 0.830 5.149 4.320 -0.001 0.000 0.324 319 A C -0.809 176.925 177.584 0.251 0.000 1.117 319 A CA -0.625 51.532 52.037 0.202 0.000 0.785 319 A CB 1.728 20.948 19.000 0.367 0.000 1.254 319 A HN 0.956 nan 8.150 nan 0.000 0.453 320 T N 0.515 115.240 114.554 0.283 0.000 2.933 320 T HA 0.635 4.984 4.350 -0.001 0.000 0.305 320 T C -1.329 173.500 174.700 0.216 0.000 1.092 320 T CA -0.546 61.771 62.100 0.361 0.000 1.008 320 T CB 0.897 70.008 68.868 0.406 0.000 1.102 320 T HN 0.789 nan 8.240 nan 0.000 0.469 321 K N 2.938 123.470 120.400 0.220 0.000 2.571 321 K HA 0.537 4.857 4.320 -0.001 0.000 0.252 321 K C 0.492 177.160 176.600 0.113 0.000 0.956 321 K CA 0.205 56.488 56.287 -0.007 0.000 0.822 321 K CB 1.065 33.300 32.500 -0.440 0.000 1.286 321 K HN 1.066 nan 8.250 nan 0.000 0.439 322 G N 3.407 112.263 108.800 0.092 0.000 2.574 322 G HA2 -0.386 3.573 3.960 -0.001 0.000 0.286 322 G HA3 -0.386 3.573 3.960 -0.001 0.000 0.286 322 G C 0.063 175.062 174.900 0.165 0.000 1.212 322 G CA 0.569 45.735 45.100 0.110 0.000 0.979 322 G HN 0.884 nan 8.290 nan 0.000 0.557 323 N N 1.194 119.993 118.700 0.165 0.000 2.322 323 N HA 0.158 4.897 4.740 -0.001 0.000 0.216 323 N C 0.211 175.862 175.510 0.236 0.000 1.144 323 N CA 0.529 53.685 53.050 0.176 0.000 0.830 323 N CB 0.443 39.005 38.487 0.126 0.000 1.034 323 N HN 0.596 nan 8.380 nan 0.000 0.484 324 Q N 0.050 120.042 119.800 0.320 0.000 2.309 324 Q HA 0.345 4.684 4.340 -0.001 0.000 0.264 324 Q C -1.508 174.803 176.000 0.518 0.000 1.008 324 Q CA -0.316 55.716 55.803 0.382 0.000 0.853 324 Q CB 2.115 31.118 28.738 0.442 0.000 1.314 324 Q HN 0.439 nan 8.270 nan 0.000 0.448 325 W N 2.112 123.535 121.300 0.205 0.000 3.097 325 W HA 0.564 5.224 4.660 -0.001 0.000 0.335 325 W C -1.647 174.941 176.519 0.116 0.000 1.114 325 W CA -0.693 56.800 57.345 0.247 0.000 1.231 325 W CB 1.309 30.921 29.460 0.253 0.000 1.388 325 W HN 0.354 nan 8.180 nan 0.000 0.485 326 V N 5.986 125.914 119.914 0.023 0.000 2.733 326 V HA 0.851 4.970 4.120 -0.001 0.000 0.306 326 V C -0.496 175.573 176.094 -0.042 0.000 1.084 326 V CA -0.431 61.850 62.300 -0.033 0.000 0.905 326 V CB 1.619 33.261 31.823 -0.302 0.000 1.010 326 V HN 0.711 nan 8.190 nan 0.000 0.424 327 G N 5.915 114.751 108.800 0.059 0.000 2.335 327 G HA2 0.655 4.614 3.960 -0.001 0.000 0.316 327 G HA3 0.655 4.614 3.960 -0.001 0.000 0.316 327 G C -1.173 173.665 174.900 -0.104 0.000 1.129 327 G CA -0.124 44.899 45.100 -0.129 0.000 0.899 327 G HN 1.253 nan 8.290 nan 0.000 0.448 328 Y N -0.582 119.642 120.300 -0.126 0.000 2.896 328 Y HA 0.722 5.271 4.550 -0.002 0.000 0.317 328 Y C -1.179 174.854 175.900 0.222 0.000 1.444 328 Y CA -1.878 56.246 58.100 0.041 0.000 1.084 328 Y CB 1.017 39.524 38.460 0.079 0.000 1.382 328 Y HN 0.310 nan 8.280 nan 0.000 0.471 329 D N 0.928 121.416 120.400 0.147 0.000 2.498 329 D HA 0.332 4.971 4.640 -0.001 0.000 0.247 329 D C -1.474 174.848 176.300 0.037 0.000 1.070 329 D CA -0.131 53.868 54.000 -0.002 0.000 0.842 329 D CB 2.213 43.006 40.800 -0.011 0.000 1.361 329 D HN 0.724 nan 8.370 nan 0.000 0.484 330 D N -0.023 120.364 120.400 -0.022 0.000 2.654 330 D HA 0.144 4.783 4.640 -0.001 0.000 0.255 330 D C 0.900 177.179 176.300 -0.036 0.000 1.101 330 D CA -0.451 53.564 54.000 0.026 0.000 1.116 330 D CB 0.640 41.587 40.800 0.245 0.000 1.348 330 D HN 0.038 nan 8.370 nan 0.000 0.609 331 Q N -0.510 119.294 119.800 0.007 0.000 2.112 331 Q HA -0.214 4.126 4.340 -0.001 0.000 0.206 331 Q C 1.705 177.711 176.000 0.011 0.000 0.987 331 Q CA 2.052 57.862 55.803 0.012 0.000 0.858 331 Q CB -0.060 28.710 28.738 0.053 0.000 0.905 331 Q HN 0.659 nan 8.270 nan 0.000 0.420 332 E N -0.360 119.850 120.200 0.017 0.000 2.047 332 E HA -0.185 4.164 4.350 -0.001 0.000 0.191 332 E C 2.012 178.606 176.600 -0.011 0.000 0.987 332 E CA 1.377 57.781 56.400 0.007 0.000 0.799 332 E CB 0.067 29.771 29.700 0.006 0.000 0.752 332 E HN 0.433 nan 8.360 nan 0.000 0.449 333 S N 0.386 116.065 115.700 -0.033 0.000 2.368 333 S HA -0.145 4.324 4.470 -0.001 0.000 0.224 333 S C 2.288 176.864 174.600 -0.041 0.000 1.029 333 S CA 1.365 59.533 58.200 -0.053 0.000 0.988 333 S CB -0.908 62.233 63.200 -0.098 0.000 0.838 333 S HN 0.278 nan 8.310 nan 0.000 0.462 334 V N 0.470 120.363 119.914 -0.035 0.000 2.490 334 V HA -0.059 4.060 4.120 -0.001 0.000 0.250 334 V C 2.480 178.569 176.094 -0.008 0.000 1.061 334 V CA 2.012 64.299 62.300 -0.022 0.000 1.064 334 V CB -1.156 30.654 31.823 -0.023 0.000 0.670 334 V HN 0.448 nan 8.190 nan 0.000 0.461 335 K N 0.944 121.342 120.400 -0.002 0.000 2.026 335 K HA -0.128 4.191 4.320 -0.001 0.000 0.208 335 K C 2.407 179.017 176.600 0.017 0.000 1.048 335 K CA 1.849 58.141 56.287 0.008 0.000 0.929 335 K CB -0.316 32.192 32.500 0.014 0.000 0.713 335 K HN 0.578 nan 8.250 nan 0.000 0.439 336 S N 0.942 116.654 115.700 0.020 0.000 2.368 336 S HA -0.125 4.344 4.470 -0.001 0.000 0.225 336 S C 1.664 176.298 174.600 0.057 0.000 1.030 336 S CA 1.322 59.550 58.200 0.047 0.000 0.999 336 S CB -0.161 63.066 63.200 0.045 0.000 0.844 336 S HN 0.312 nan 8.310 nan 0.000 0.459 337 K N 0.702 121.109 120.400 0.011 0.000 2.097 337 K HA -0.036 4.283 4.320 -0.001 0.000 0.206 337 K C 2.027 178.662 176.600 0.059 0.000 1.049 337 K CA 1.098 57.390 56.287 0.008 0.000 0.933 337 K CB -0.343 32.139 32.500 -0.030 0.000 0.717 337 K HN 0.186 nan 8.250 nan 0.000 0.442 338 V N 1.172 121.095 119.914 0.016 0.000 2.358 338 V HA -0.249 3.870 4.120 -0.001 0.000 0.246 338 V C 2.405 178.480 176.094 -0.033 0.000 1.047 338 V CA 1.729 64.009 62.300 -0.034 0.000 1.035 338 V CB -0.437 31.352 31.823 -0.055 0.000 0.658 338 V HN 0.296 nan 8.190 nan 0.000 0.452 339 Q N -0.255 119.557 119.800 0.019 0.000 2.045 339 Q HA -0.287 4.052 4.340 -0.001 0.000 0.206 339 Q C 2.086 178.121 176.000 0.059 0.000 0.991 339 Q CA 2.538 58.363 55.803 0.036 0.000 0.851 339 Q CB -0.719 28.062 28.738 0.072 0.000 0.911 339 Q HN 0.725 nan 8.270 nan 0.000 0.418 340 Y N 0.589 120.883 120.300 -0.009 0.000 2.097 340 Y HA -0.284 4.265 4.550 -0.001 0.000 0.282 340 Y C 1.850 177.733 175.900 -0.028 0.000 1.152 340 Y CA 2.113 60.213 58.100 -0.000 0.000 1.136 340 Y CB -0.567 37.861 38.460 -0.054 0.000 0.975 340 Y HN 0.334 nan 8.280 nan 0.000 0.498 341 L N -0.017 121.206 121.223 0.001 0.000 2.131 341 L HA -0.091 4.249 4.340 -0.001 0.000 0.210 341 L C 1.919 178.685 176.870 -0.173 0.000 1.092 341 L CA 1.877 56.653 54.840 -0.106 0.000 0.759 341 L CB -1.009 41.029 42.059 -0.036 0.000 0.903 341 L HN 0.020 nan 8.230 nan 0.000 0.435 342 K N 0.033 120.326 120.400 -0.179 0.000 2.062 342 K HA -0.098 4.221 4.320 -0.001 0.000 0.205 342 K C 1.783 178.356 176.600 -0.045 0.000 1.051 342 K CA 1.360 57.573 56.287 -0.122 0.000 0.941 342 K CB -0.303 32.126 32.500 -0.119 0.000 0.719 342 K HN 0.342 nan 8.250 nan 0.000 0.440 343 D N 0.422 120.769 120.400 -0.087 0.000 2.221 343 D HA -0.126 4.513 4.640 -0.001 0.000 0.204 343 D C 1.692 177.915 176.300 -0.129 0.000 0.982 343 D CA 0.905 54.856 54.000 -0.082 0.000 0.857 343 D CB 0.075 40.828 40.800 -0.079 0.000 0.934 343 D HN 0.024 nan 8.370 nan 0.000 0.475 344 R N 0.153 120.521 120.500 -0.219 0.000 2.297 344 R HA 0.107 4.446 4.340 -0.001 0.000 0.197 344 R C 0.287 176.537 176.300 -0.084 0.000 0.943 344 R CA 0.047 56.021 56.100 -0.211 0.000 1.038 344 R CB 0.046 30.129 30.300 -0.361 0.000 0.957 344 R HN 0.301 nan 8.270 nan 0.000 0.484 345 Q N 0.654 120.440 119.800 -0.024 0.000 2.478 345 Q HA -0.167 4.173 4.340 -0.001 0.000 0.286 345 Q C -0.689 175.354 176.000 0.072 0.000 1.299 345 Q CA 0.345 56.184 55.803 0.061 0.000 0.826 345 Q CB -1.753 27.004 28.738 0.032 0.000 1.199 345 Q HN 0.281 nan 8.270 nan 0.000 0.451 346 L N -1.262 119.998 121.223 0.061 0.000 2.468 346 L HA 0.399 4.738 4.340 -0.001 0.000 0.254 346 L C 1.685 178.640 176.870 0.142 0.000 1.171 346 L CA 0.331 55.208 54.840 0.062 0.000 0.809 346 L CB 0.232 42.304 42.059 0.021 0.000 1.155 346 L HN 0.281 nan 8.230 nan 0.000 0.473 347 A N 0.666 123.548 122.820 0.102 0.000 2.019 347 A HA 0.284 4.603 4.320 -0.001 0.000 0.219 347 A C 0.978 178.654 177.584 0.155 0.000 1.164 347 A CA 1.543 53.644 52.037 0.108 0.000 0.644 347 A CB -0.472 18.549 19.000 0.035 0.000 0.805 347 A HN 1.012 nan 8.150 nan 0.000 0.449 348 G N -3.094 105.751 108.800 0.075 0.000 2.356 348 G HA2 0.561 4.521 3.960 -0.001 0.000 0.266 348 G HA3 0.561 4.521 3.960 -0.001 0.000 0.266 348 G C -0.767 174.114 174.900 -0.030 0.000 1.312 348 G CA -0.170 44.935 45.100 0.009 0.000 0.922 348 G HN 1.274 nan 8.290 nan 0.000 0.480 349 A N -0.417 122.386 122.820 -0.028 0.000 2.354 349 A HA 0.872 5.192 4.320 -0.001 0.000 0.321 349 A C -0.173 177.439 177.584 0.048 0.000 1.125 349 A CA -0.461 51.587 52.037 0.020 0.000 0.799 349 A CB 1.808 20.819 19.000 0.018 0.000 1.293 349 A HN 1.500 nan 8.150 nan 0.000 0.452 350 M N 2.357 122.036 119.600 0.132 0.000 2.393 350 M HA 0.603 5.082 4.480 -0.001 0.000 0.316 350 M C -2.045 174.436 176.300 0.301 0.000 1.087 350 M CA -0.555 54.876 55.300 0.217 0.000 0.937 350 M CB 1.446 34.235 32.600 0.315 0.000 1.668 350 M HN 0.391 nan 8.290 nan 0.000 0.438 351 V N 5.406 125.512 119.914 0.320 0.000 2.495 351 V HA 0.521 4.641 4.120 -0.001 0.000 0.298 351 V C -1.256 175.111 176.094 0.455 0.000 1.031 351 V CA -0.569 61.927 62.300 0.327 0.000 0.871 351 V CB 2.099 34.037 31.823 0.192 0.000 0.988 351 V HN 0.866 nan 8.190 nan 0.000 0.432 352 W N 5.970 127.422 121.300 0.254 0.000 2.543 352 W HA 0.792 5.451 4.660 -0.001 0.000 0.318 352 W C -0.751 175.869 176.519 0.170 0.000 1.002 352 W CA -0.538 56.916 57.345 0.180 0.000 1.302 352 W CB 1.671 31.180 29.460 0.081 0.000 1.299 352 W HN 0.707 nan 8.180 nan 0.000 0.424 353 A N 4.771 127.472 122.820 -0.198 0.000 2.566 353 A HA 0.504 4.823 4.320 -0.001 0.000 0.292 353 A C 0.276 177.774 177.584 -0.143 0.000 1.112 353 A CA -0.658 51.099 52.037 -0.466 0.000 0.707 353 A CB 1.450 19.692 19.000 -1.263 0.000 1.302 353 A HN 0.597 nan 8.150 nan 0.000 0.409 354 L N -0.104 121.075 121.223 -0.073 0.000 2.127 354 L HA -0.186 4.153 4.340 -0.001 0.000 0.211 354 L C 1.636 178.618 176.870 0.187 0.000 1.089 354 L CA 2.102 57.031 54.840 0.149 0.000 0.757 354 L CB -0.406 41.730 42.059 0.129 0.000 0.899 354 L HN 0.956 nan 8.230 nan 0.000 0.434 355 D N -1.037 119.314 120.400 -0.083 0.000 2.349 355 D HA -0.075 4.564 4.640 -0.001 0.000 0.224 355 D C 1.683 178.011 176.300 0.048 0.000 1.029 355 D CA 0.528 54.409 54.000 -0.198 0.000 0.879 355 D CB -0.101 40.417 40.800 -0.471 0.000 0.906 355 D HN 0.309 nan 8.370 nan 0.000 0.528 356 L N -0.778 120.490 121.223 0.076 0.000 2.609 356 L HA 0.202 4.541 4.340 -0.001 0.000 0.230 356 L C 0.910 177.918 176.870 0.231 0.000 1.087 356 L CA -0.262 54.643 54.840 0.109 0.000 0.874 356 L CB 0.150 42.237 42.059 0.046 0.000 1.114 356 L HN -0.024 nan 8.230 nan 0.000 0.488 357 D N 0.530 121.110 120.400 0.300 0.000 2.398 357 D HA -0.047 4.592 4.640 -0.001 0.000 0.247 357 D C -0.274 176.245 176.300 0.365 0.000 1.227 357 D CA -0.117 54.087 54.000 0.339 0.000 0.980 357 D CB 0.954 41.960 40.800 0.343 0.000 1.106 357 D HN -0.144 nan 8.370 nan 0.000 0.493 358 D N 0.770 121.336 120.400 0.276 0.000 2.551 358 D HA -0.000 4.639 4.640 -0.001 0.000 0.223 358 D C 0.952 177.079 176.300 -0.288 0.000 1.144 358 D CA -0.350 53.672 54.000 0.037 0.000 1.025 358 D CB -0.972 39.893 40.800 0.108 0.000 1.085 358 D HN 0.345 nan 8.370 nan 0.000 0.506 359 F N 0.891 120.531 119.950 -0.518 0.000 2.293 359 F HA -0.033 4.493 4.527 -0.002 0.000 0.300 359 F C 1.671 177.120 175.800 -0.585 0.000 1.086 359 F CA 0.508 57.855 58.000 -1.087 0.000 1.375 359 F CB -0.332 38.180 39.000 -0.814 0.000 1.045 359 F HN 0.134 nan 8.300 nan 0.000 0.516 360 Q N 1.192 120.378 119.800 -1.022 0.000 2.187 360 Q HA 0.107 4.446 4.340 -0.001 0.000 0.199 360 Q C 2.106 177.926 176.000 -0.299 0.000 0.957 360 Q CA 1.143 56.582 55.803 -0.607 0.000 0.857 360 Q CB -0.594 27.765 28.738 -0.633 0.000 0.929 360 Q HN 0.722 nan 8.270 nan 0.000 0.453 361 G N 1.088 109.741 108.800 -0.245 0.000 2.155 361 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.257 361 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.257 361 G C 0.939 175.791 174.900 -0.079 0.000 0.983 361 G CA 0.941 45.980 45.100 -0.102 0.000 0.676 361 G HN 0.481 nan 8.290 nan 0.000 0.528 362 S N -1.433 114.194 115.700 -0.122 0.000 2.511 362 S HA 0.432 4.901 4.470 -0.001 0.000 0.214 362 S C 1.625 176.065 174.600 -0.266 0.000 0.997 362 S CA 0.719 58.792 58.200 -0.211 0.000 0.908 362 S CB -0.082 62.915 63.200 -0.338 0.000 0.803 362 S HN 0.231 nan 8.310 nan 0.000 0.504 363 F N 1.480 121.322 119.950 -0.180 0.000 2.317 363 F HA 0.233 4.759 4.527 -0.002 0.000 0.293 363 F C 2.057 177.801 175.800 -0.094 0.000 1.085 363 F CA -0.045 57.880 58.000 -0.126 0.000 1.390 363 F CB -0.390 38.539 39.000 -0.119 0.000 1.077 363 F HN 0.273 nan 8.300 nan 0.000 0.517 364 c N 0.206 118.866 118.600 0.100 0.000 2.754 364 c HA 0.633 5.202 4.570 -0.001 0.000 0.276 364 c C 1.319 175.430 174.090 0.034 0.000 1.264 364 c CA -0.140 56.214 56.329 0.042 0.000 1.700 364 c CB -1.506 41.036 42.510 0.055 0.000 1.885 364 c HN 0.719 nan 8.230 nan 0.000 0.607 365 G N 1.187 109.993 108.800 0.010 0.000 2.741 365 G HA2 -0.028 3.931 3.960 -0.001 0.000 0.222 365 G HA3 -0.028 3.931 3.960 -0.001 0.000 0.222 365 G C 0.138 175.047 174.900 0.016 0.000 1.364 365 G CA 0.246 45.346 45.100 -0.001 0.000 0.866 365 G HN 0.392 nan 8.290 nan 0.000 0.555 366 Q N -1.124 118.684 119.800 0.013 0.000 2.305 366 Q HA -0.219 4.120 4.340 -0.001 0.000 0.203 366 Q C 0.976 176.987 176.000 0.018 0.000 0.663 366 Q CA 2.257 58.074 55.803 0.022 0.000 1.389 366 Q CB -2.125 26.639 28.738 0.043 0.000 1.566 366 Q HN 1.734 nan 8.270 nan 0.000 0.755 367 D N -1.474 118.927 120.400 0.002 0.000 3.059 367 D HA -0.220 4.419 4.640 -0.001 0.000 0.222 367 D C 0.172 176.479 176.300 0.012 0.000 1.185 367 D CA 1.279 55.275 54.000 -0.008 0.000 0.904 367 D CB -0.894 39.901 40.800 -0.009 0.000 1.122 367 D HN 0.388 nan 8.370 nan 0.000 0.410 368 L N 1.003 122.246 121.223 0.033 0.000 2.305 368 L HA 0.275 4.614 4.340 -0.001 0.000 0.281 368 L C 0.482 177.390 176.870 0.063 0.000 1.085 368 L CA -0.095 54.782 54.840 0.061 0.000 0.813 368 L CB 0.735 42.841 42.059 0.079 0.000 1.157 368 L HN -0.122 nan 8.230 nan 0.000 0.436 369 R N 4.293 124.848 120.500 0.091 0.000 2.457 369 R HA 0.373 4.713 4.340 -0.001 0.000 0.284 369 R C -0.552 175.882 176.300 0.223 0.000 1.024 369 R CA -0.642 55.493 56.100 0.059 0.000 1.025 369 R CB 0.411 30.775 30.300 0.108 0.000 1.063 369 R HN 0.630 nan 8.270 nan 0.000 0.493 370 F N 0.658 120.692 119.950 0.140 0.000 2.943 370 F HA -0.184 4.342 4.527 -0.001 0.000 0.258 370 F C -1.270 174.601 175.800 0.118 0.000 0.995 370 F CA -0.123 57.964 58.000 0.145 0.000 0.896 370 F CB -1.159 37.915 39.000 0.123 0.000 0.821 370 F HN 0.572 nan 8.300 nan 0.000 0.828 371 P HA -0.220 nan 4.420 nan 0.000 0.215 371 P C 1.827 179.200 177.300 0.122 0.000 1.157 371 P CA 1.752 64.962 63.100 0.184 0.000 0.874 371 P CB 0.244 32.080 31.700 0.227 0.000 0.790 372 L N -0.778 120.482 121.223 0.062 0.000 2.027 372 L HA -0.107 4.232 4.340 -0.001 0.000 0.206 372 L C 2.718 179.616 176.870 0.047 0.000 1.074 372 L CA 2.152 56.967 54.840 -0.042 0.000 0.745 372 L CB -1.733 40.204 42.059 -0.203 0.000 0.898 372 L HN 0.027 nan 8.230 nan 0.000 0.433 373 T N -0.734 113.895 114.554 0.125 0.000 2.746 373 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 373 T C 1.768 176.525 174.700 0.095 0.000 1.039 373 T CA 1.177 63.347 62.100 0.117 0.000 1.142 373 T CB -0.258 68.699 68.868 0.147 0.000 0.866 373 T HN 0.258 nan 8.240 nan 0.000 0.444 374 N N 1.215 119.993 118.700 0.130 0.000 2.166 374 N HA 0.003 4.742 4.740 -0.001 0.000 0.186 374 N C 2.153 177.708 175.510 0.075 0.000 1.019 374 N CA 1.228 54.341 53.050 0.105 0.000 0.856 374 N CB -0.367 38.202 38.487 0.136 0.000 0.993 374 N HN 0.428 nan 8.380 nan 0.000 0.426 375 A N 1.165 124.026 122.820 0.069 0.000 1.933 375 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 375 A C 2.309 179.914 177.584 0.034 0.000 1.175 375 A CA 0.857 52.922 52.037 0.047 0.000 0.628 375 A CB -0.530 18.490 19.000 0.034 0.000 0.814 375 A HN 0.217 nan 8.150 nan 0.000 0.444 376 I N -0.665 119.925 120.570 0.033 0.000 2.252 376 I HA -0.238 3.931 4.170 -0.001 0.000 0.245 376 I C 2.546 178.677 176.117 0.024 0.000 1.102 376 I CA 1.742 63.055 61.300 0.023 0.000 1.385 376 I CB -0.267 37.750 38.000 0.029 0.000 1.064 376 I HN 0.390 nan 8.210 nan 0.000 0.414 377 K N 1.097 121.520 120.400 0.038 0.000 2.009 377 K HA -0.240 4.079 4.320 -0.001 0.000 0.210 377 K C 1.705 178.332 176.600 0.046 0.000 1.049 377 K CA 2.090 58.404 56.287 0.044 0.000 0.929 377 K CB -0.099 32.430 32.500 0.048 0.000 0.714 377 K HN 0.215 nan 8.250 nan 0.000 0.440 378 D N 0.500 120.926 120.400 0.043 0.000 2.104 378 D HA -0.181 4.458 4.640 -0.001 0.000 0.194 378 D C 1.849 178.171 176.300 0.037 0.000 0.994 378 D CA 1.561 55.585 54.000 0.041 0.000 0.830 378 D CB -0.374 40.450 40.800 0.040 0.000 0.959 378 D HN 0.401 nan 8.370 nan 0.000 0.452 379 A N 0.739 123.575 122.820 0.027 0.000 1.940 379 A HA -0.136 4.183 4.320 -0.001 0.000 0.219 379 A C 2.432 180.022 177.584 0.010 0.000 1.176 379 A CA 0.942 52.989 52.037 0.015 0.000 0.631 379 A CB -0.792 18.209 19.000 0.002 0.000 0.814 379 A HN 0.214 nan 8.150 nan 0.000 0.446 380 L N -1.140 120.089 121.223 0.009 0.000 2.093 380 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 380 L C 2.922 179.889 176.870 0.160 0.000 1.085 380 L CA 1.033 55.889 54.840 0.026 0.000 0.755 380 L CB -0.343 41.743 42.059 0.046 0.000 0.904 380 L HN 0.450 nan 8.230 nan 0.000 0.435 381 A N -0.256 122.631 122.820 0.111 0.000 2.072 381 A HA 0.287 4.606 4.320 -0.001 0.000 0.216 381 A C 1.468 179.100 177.584 0.080 0.000 1.156 381 A CA 0.574 52.672 52.037 0.102 0.000 0.701 381 A CB -0.349 18.691 19.000 0.067 0.000 0.816 381 A HN 0.297 nan 8.150 nan 0.000 0.458 382 A N -0.802 122.059 122.820 0.067 0.000 2.387 382 A HA 0.479 4.799 4.320 -0.001 0.000 0.251 382 A C 0.988 178.607 177.584 0.058 0.000 1.113 382 A CA 0.809 52.877 52.037 0.052 0.000 0.794 382 A CB -0.599 18.425 19.000 0.040 0.000 1.069 382 A HN 1.155 nan 8.150 nan 0.000 0.506 383 T N 0.000 114.580 114.554 0.044 0.000 3.816 383 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 383 T CA 0.000 62.125 62.100 0.041 0.000 1.349 383 T CB 0.000 68.898 68.868 0.051 0.000 0.612 383 T HN 0.000 nan 8.240 nan 0.000 0.658