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 1zb5_1_A DATA FIRST_RESID 1 DATA SEQUENCE YKLIcYYTSW SQYREGDGSC FPDAIDPFLc THVIYSFANI SNNEIDTWEW DATA SEQUENCE NDVTLYDTLN TLKNRNPNLK TLLSVGGWNF GPQRFSKIAS KTQSRRTFIK DATA SEQUENCE SVPPFLRTHG FDGLDLAWLY PGRRDKRHLT TLVKEMKAEF IREAQAGTEQ DATA SEQUENCE LLLSAAVSAG KIAIDRGYDI AQISRHLDFI SLLTYDFHGA WRQTVGHHSP DATA SEQUENCE LFRGQEDASS XRFSNADYAV SYMLRLGAPA NKLVMGIPTF GKSFTLASSK DATA SEQUENCE TDVGAPVSGP GIPGQFTKEK GILAYYEIcD FLQGATTHRF RDQQVPYATK DATA SEQUENCE GNQWVAYDDQ ESVKNKARYL KNRQLAGAMV WALDLDDFRG TFcGQNLTFP DATA SEQUENCE LTSAVKDVLA RA 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 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.893 175.900 -0.012 0.000 1.272 1 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 1 Y CB 0.000 38.459 38.460 -0.001 0.000 1.050 2 K N 2.522 122.997 120.400 0.125 0.000 2.138 2 K HA 0.676 5.000 4.320 0.007 0.000 0.263 2 K C -1.274 175.333 176.600 0.012 0.000 0.965 2 K CA -0.862 55.431 56.287 0.010 0.000 0.868 2 K CB 1.839 34.216 32.500 -0.205 0.000 1.083 2 K HN 0.532 nan 8.250 nan 0.000 0.443 3 L N 5.139 126.375 121.223 0.021 0.000 2.401 3 L HA 0.415 4.760 4.340 0.007 0.000 0.263 3 L C -1.318 175.556 176.870 0.006 0.000 1.004 3 L CA -0.670 54.182 54.840 0.020 0.000 0.881 3 L CB 0.733 42.813 42.059 0.034 0.000 1.219 3 L HN 0.604 nan 8.230 nan 0.000 0.441 4 I N 3.442 123.992 120.570 -0.033 0.000 2.325 4 I HA 0.247 4.421 4.170 0.007 0.000 0.291 4 I C -0.345 175.802 176.117 0.050 0.000 1.019 4 I CA -0.103 61.177 61.300 -0.033 0.000 1.302 4 I CB 0.984 38.907 38.000 -0.128 0.000 1.401 4 I HN 0.489 nan 8.210 nan 0.000 0.485 5 c N 6.030 124.637 118.600 0.012 0.000 2.369 5 c HA 0.475 5.049 4.570 0.007 0.000 0.322 5 c C -0.240 173.834 174.090 -0.027 0.000 1.258 5 c CA -1.052 55.298 56.329 0.035 0.000 1.487 5 c CB 0.068 42.572 42.510 -0.010 0.000 2.165 5 c HN 0.498 nan 8.230 nan 0.000 0.483 6 Y N 1.379 121.659 120.300 -0.034 0.000 2.299 6 Y HA 0.445 4.999 4.550 0.007 0.000 0.326 6 Y C 0.013 175.710 175.900 -0.338 0.000 1.164 6 Y CA 0.133 58.122 58.100 -0.185 0.000 1.234 6 Y CB 0.605 38.868 38.460 -0.329 0.000 1.219 6 Y HN 0.717 nan 8.280 nan 0.000 0.497 7 Y N 2.521 122.627 120.300 -0.323 0.000 2.376 7 Y HA 0.501 5.055 4.550 0.007 0.000 0.340 7 Y C -0.539 174.919 175.900 -0.737 0.000 0.965 7 Y CA -1.182 56.635 58.100 -0.472 0.000 1.078 7 Y CB 1.384 39.645 38.460 -0.333 0.000 1.193 7 Y HN 0.636 nan 8.280 nan 0.000 0.452 8 T N 1.555 115.020 114.554 -1.814 0.000 2.794 8 T HA 0.301 4.656 4.350 0.007 0.000 0.280 8 T C 0.790 174.350 174.700 -1.901 0.000 0.987 8 T CA -0.419 60.550 62.100 -1.884 0.000 0.993 8 T CB 1.637 69.152 68.868 -2.255 0.000 0.939 8 T HN 0.701 nan 8.240 nan 0.000 0.449 9 S N 1.323 116.269 115.700 -1.257 0.000 2.365 9 S HA -0.123 4.351 4.470 0.007 0.000 0.225 9 S C 1.450 175.783 174.600 -0.446 0.000 1.039 9 S CA 2.085 59.912 58.200 -0.621 0.000 1.033 9 S CB -0.570 62.553 63.200 -0.127 0.000 0.887 9 S HN 1.009 nan 8.310 nan 0.000 0.447 10 W N 2.292 123.416 121.300 -0.294 0.000 2.825 10 W HA 0.101 4.765 4.660 0.007 0.000 0.243 10 W C 1.846 178.250 176.519 -0.192 0.000 1.293 10 W CA 0.601 57.886 57.345 -0.099 0.000 1.403 10 W CB -0.985 28.533 29.460 0.095 0.000 1.134 10 W HN 0.282 nan 8.180 nan 0.000 0.666 11 S N 1.030 116.305 115.700 -0.707 0.000 2.481 11 S HA -0.283 4.191 4.470 0.007 0.000 0.231 11 S C 1.798 176.151 174.600 -0.412 0.000 0.996 11 S CA 1.107 58.992 58.200 -0.525 0.000 0.942 11 S CB -0.860 61.908 63.200 -0.719 0.000 0.768 11 S HN 0.726 nan 8.310 nan 0.000 0.520 12 Q N -0.035 119.385 119.800 -0.633 0.000 2.226 12 Q HA -0.116 4.228 4.340 0.007 0.000 0.204 12 Q C 1.032 176.804 176.000 -0.380 0.000 0.975 12 Q CA 1.253 56.547 55.803 -0.848 0.000 0.866 12 Q CB -0.809 27.199 28.738 -1.216 0.000 0.915 12 Q HN 0.700 nan 8.270 nan 0.000 0.440 13 Y N 0.974 121.286 120.300 0.019 0.000 2.490 13 Y HA 0.247 4.801 4.550 0.007 0.000 0.281 13 Y C 0.431 176.425 175.900 0.158 0.000 1.174 13 Y CA -0.412 57.771 58.100 0.139 0.000 1.295 13 Y CB 0.076 38.646 38.460 0.183 0.000 1.062 13 Y HN -0.033 nan 8.280 nan 0.000 0.522 14 R N 2.346 123.001 120.500 0.259 0.000 2.543 14 R HA 0.087 4.431 4.340 0.007 0.000 0.277 14 R C 0.491 176.971 176.300 0.300 0.000 1.074 14 R CA -0.269 56.000 56.100 0.282 0.000 1.076 14 R CB 0.430 30.894 30.300 0.273 0.000 0.993 14 R HN 0.382 nan 8.270 nan 0.000 0.459 15 E N 1.706 122.100 120.200 0.322 0.000 2.390 15 E HA 0.290 4.644 4.350 0.007 0.000 0.261 15 E C 0.632 177.468 176.600 0.394 0.000 1.076 15 E CA -0.285 56.302 56.400 0.312 0.000 0.905 15 E CB 0.563 30.403 29.700 0.234 0.000 0.984 15 E HN 0.701 nan 8.360 nan 0.000 0.427 16 G N 2.823 111.805 108.800 0.304 0.000 2.596 16 G HA2 -0.381 3.583 3.960 0.007 0.000 0.295 16 G HA3 -0.381 3.583 3.960 0.007 0.000 0.295 16 G C 0.359 175.391 174.900 0.220 0.000 1.240 16 G CA 0.406 45.677 45.100 0.285 0.000 0.985 16 G HN 0.751 nan 8.290 nan 0.000 0.555 17 D N 1.453 121.937 120.400 0.141 0.000 2.351 17 D HA -0.003 4.641 4.640 0.007 0.000 0.216 17 D C 2.379 178.585 176.300 -0.158 0.000 0.968 17 D CA 1.519 55.497 54.000 -0.036 0.000 0.899 17 D CB -0.775 39.966 40.800 -0.098 0.000 0.907 17 D HN 0.643 nan 8.370 nan 0.000 0.514 18 G N 0.416 109.142 108.800 -0.123 0.000 2.443 18 G HA2 -0.170 3.794 3.960 0.007 0.000 0.219 18 G HA3 -0.170 3.794 3.960 0.007 0.000 0.219 18 G C 0.903 175.944 174.900 0.233 0.000 1.131 18 G CA 0.119 45.206 45.100 -0.021 0.000 0.775 18 G HN 0.235 nan 8.290 nan 0.000 0.547 19 S N -0.595 115.249 115.700 0.240 0.000 2.544 19 S HA 0.209 4.683 4.470 0.007 0.000 0.290 19 S C -0.245 174.471 174.600 0.192 0.000 1.276 19 S CA -0.255 58.068 58.200 0.206 0.000 1.075 19 S CB -0.007 63.372 63.200 0.298 0.000 0.849 19 S HN 0.375 nan 8.310 nan 0.000 0.494 20 C N 7.349 126.578 119.300 -0.119 0.000 2.446 20 C HA 0.743 5.207 4.460 0.007 0.000 0.329 20 C C -1.174 173.654 174.990 -0.270 0.000 1.166 20 C CA -0.862 57.969 59.018 -0.312 0.000 1.341 20 C CB -0.655 26.554 27.740 -0.885 0.000 1.970 20 C HN 0.840 nan 8.230 nan 0.000 0.452 21 F N 5.378 125.274 119.950 -0.090 0.000 2.523 21 F HA 0.499 5.030 4.527 0.007 0.000 0.329 21 F C -1.399 174.224 175.800 -0.296 0.000 1.061 21 F CA -2.052 55.887 58.000 -0.100 0.000 0.967 21 F CB 1.118 40.081 39.000 -0.063 0.000 1.218 21 F HN 0.358 nan 8.300 nan 0.000 0.480 22 P HA -0.205 nan 4.420 nan 0.000 0.218 22 P C 1.064 178.249 177.300 -0.191 0.000 1.146 22 P CA 1.573 64.366 63.100 -0.511 0.000 0.813 22 P CB 0.036 31.505 31.700 -0.385 0.000 0.778 23 D N -0.363 120.006 120.400 -0.052 0.000 2.378 23 D HA -0.078 4.566 4.640 0.007 0.000 0.222 23 D C 1.302 177.623 176.300 0.036 0.000 0.980 23 D CA 0.783 54.774 54.000 -0.014 0.000 0.907 23 D CB -0.374 40.419 40.800 -0.012 0.000 0.899 23 D HN 0.128 nan 8.370 nan 0.000 0.527 24 A N 0.232 123.093 122.820 0.068 0.000 2.275 24 A HA 0.257 4.581 4.320 0.007 0.000 0.212 24 A C 1.173 178.920 177.584 0.271 0.000 1.201 24 A CA -0.405 51.736 52.037 0.173 0.000 0.843 24 A CB -0.203 18.931 19.000 0.224 0.000 0.873 24 A HN 0.234 nan 8.150 nan 0.000 0.492 25 I N 1.283 121.928 120.570 0.125 0.000 2.416 25 I HA 0.063 4.237 4.170 0.007 0.000 0.288 25 I C -0.204 175.918 176.117 0.009 0.000 1.051 25 I CA -0.517 60.825 61.300 0.069 0.000 1.375 25 I CB 0.860 38.796 38.000 -0.106 0.000 1.407 25 I HN 0.087 nan 8.210 nan 0.000 0.516 26 D N 9.581 129.959 120.400 -0.037 0.000 2.382 26 D HA 0.077 4.721 4.640 0.007 0.000 0.259 26 D C -1.615 174.621 176.300 -0.107 0.000 1.224 26 D CA -1.962 52.035 54.000 -0.006 0.000 0.894 26 D CB 1.386 42.191 40.800 0.008 0.000 1.127 26 D HN 0.212 nan 8.370 nan 0.000 0.487 27 P HA -0.102 nan 4.420 nan 0.000 0.217 27 P C 0.622 177.606 177.300 -0.526 0.000 1.148 27 P CA 1.055 63.927 63.100 -0.380 0.000 0.828 27 P CB 0.012 31.389 31.700 -0.539 0.000 0.783 28 F N -2.588 117.326 119.950 -0.060 0.000 2.727 28 F HA 0.168 4.699 4.527 0.007 0.000 0.302 28 F C 1.869 177.633 175.800 -0.061 0.000 1.097 28 F CA -0.196 57.773 58.000 -0.051 0.000 1.330 28 F CB -0.641 38.341 39.000 -0.030 0.000 1.084 28 F HN -0.173 nan 8.300 nan 0.000 0.578 29 L N -0.318 120.911 121.223 0.009 0.000 1.988 29 L HA -0.023 4.321 4.340 0.007 0.000 0.207 29 L C 0.939 177.774 176.870 -0.058 0.000 1.071 29 L CA 1.398 56.204 54.840 -0.057 0.000 0.744 29 L CB -0.257 41.662 42.059 -0.234 0.000 0.893 29 L HN 0.065 nan 8.230 nan 0.000 0.433 30 c N -1.530 117.013 118.600 -0.094 0.000 2.407 30 c HA 0.488 5.062 4.570 0.007 0.000 0.366 30 c C 1.954 176.021 174.090 -0.037 0.000 1.213 30 c CA 0.057 56.354 56.329 -0.053 0.000 2.011 30 c CB 1.267 43.737 42.510 -0.066 0.000 2.306 30 c HN 0.616 nan 8.230 nan 0.000 0.527 31 T N -2.357 112.210 114.554 0.022 0.000 3.040 31 T HA 0.133 4.487 4.350 0.007 0.000 0.252 31 T C 0.053 174.684 174.700 -0.115 0.000 1.064 31 T CA 0.849 62.951 62.100 0.003 0.000 1.110 31 T CB -0.179 68.767 68.868 0.130 0.000 0.921 31 T HN 0.781 nan 8.240 nan 0.000 0.480 32 H N -0.307 118.717 119.070 -0.076 0.000 2.856 32 H HA 0.707 5.267 4.556 0.007 0.000 0.355 32 H C -1.464 173.829 175.328 -0.058 0.000 1.079 32 H CA -0.761 55.255 56.048 -0.052 0.000 1.240 32 H CB 2.132 31.864 29.762 -0.050 0.000 1.701 32 H HN 0.030 nan 8.280 nan 0.000 0.527 33 V N 4.634 124.586 119.914 0.063 0.000 2.448 33 V HA 0.373 4.498 4.120 0.007 0.000 0.295 33 V C -0.110 176.011 176.094 0.046 0.000 1.025 33 V CA -0.583 61.726 62.300 0.015 0.000 0.859 33 V CB 1.489 33.303 31.823 -0.014 0.000 0.988 33 V HN 0.634 nan 8.190 nan 0.000 0.431 34 I N 4.700 125.230 120.570 -0.067 0.000 2.339 34 I HA 0.353 4.527 4.170 0.007 0.000 0.290 34 I C -0.772 175.352 176.117 0.011 0.000 0.994 34 I CA -0.722 60.519 61.300 -0.097 0.000 1.191 34 I CB 1.322 39.027 38.000 -0.490 0.000 1.343 34 I HN 0.584 nan 8.210 nan 0.000 0.458 35 Y N 5.445 125.764 120.300 0.031 0.000 2.335 35 Y HA 0.168 4.722 4.550 0.007 0.000 0.331 35 Y C 0.550 176.424 175.900 -0.043 0.000 1.094 35 Y CA 0.340 58.499 58.100 0.099 0.000 1.253 35 Y CB 1.052 39.659 38.460 0.246 0.000 1.203 35 Y HN 0.484 nan 8.280 nan 0.000 0.508 36 S N 7.021 122.395 115.700 -0.544 0.000 2.430 36 S HA 0.441 4.915 4.470 0.007 0.000 0.289 36 S C -1.635 172.631 174.600 -0.557 0.000 1.143 36 S CA -0.352 57.403 58.200 -0.741 0.000 1.067 36 S CB -0.586 61.969 63.200 -1.074 0.000 0.964 36 S HN 0.549 nan 8.310 nan 0.000 0.485 37 F N 0.140 120.181 119.950 0.152 0.000 2.130 37 F HA -0.158 4.373 4.527 0.007 0.000 0.464 37 F C 0.400 176.363 175.800 0.271 0.000 1.225 37 F CA -0.140 57.923 58.000 0.105 0.000 1.505 37 F CB -1.889 37.025 39.000 -0.144 0.000 2.379 37 F HN 0.587 nan 8.300 nan 0.000 0.732 38 A N 1.686 124.820 122.820 0.523 0.000 2.281 38 A HA 0.838 5.162 4.320 0.007 0.000 0.329 38 A C 0.176 178.083 177.584 0.538 0.000 1.122 38 A CA -0.182 52.157 52.037 0.503 0.000 0.850 38 A CB 1.405 20.584 19.000 0.298 0.000 1.207 38 A HN 0.737 nan 8.150 nan 0.000 0.495 39 N N -1.055 117.931 118.700 0.476 0.000 2.906 39 N HA 0.674 5.418 4.740 0.007 0.000 0.327 39 N C -1.295 174.310 175.510 0.158 0.000 1.344 39 N CA -0.585 52.712 53.050 0.413 0.000 0.823 39 N CB 1.002 39.643 38.487 0.257 0.000 1.351 39 N HN 0.484 nan 8.380 nan 0.000 0.604 40 I N 0.466 121.122 120.570 0.144 0.000 2.500 40 I HA 0.301 4.475 4.170 0.007 0.000 0.286 40 I C -0.903 175.186 176.117 -0.047 0.000 1.063 40 I CA -0.487 60.808 61.300 -0.009 0.000 1.062 40 I CB 1.817 39.709 38.000 -0.179 0.000 1.223 40 I HN 0.251 nan 8.210 nan 0.000 0.435 41 S N 3.953 119.628 115.700 -0.042 0.000 2.538 41 S HA 0.378 4.852 4.470 0.007 0.000 0.288 41 S C 0.082 174.661 174.600 -0.034 0.000 1.108 41 S CA -0.530 57.637 58.200 -0.055 0.000 0.971 41 S CB 1.481 64.656 63.200 -0.042 0.000 1.041 41 S HN 0.786 nan 8.310 nan 0.000 0.483 42 N N 2.711 121.384 118.700 -0.046 0.000 2.725 42 N HA -0.178 4.566 4.740 0.007 0.000 0.249 42 N C -0.370 175.133 175.510 -0.012 0.000 1.103 42 N CA 0.790 53.824 53.050 -0.027 0.000 0.707 42 N CB -1.174 37.309 38.487 -0.007 0.000 1.043 42 N HN 0.692 nan 8.380 nan 0.000 0.553 43 N N -1.846 116.835 118.700 -0.032 0.000 2.782 43 N HA -0.192 4.552 4.740 0.007 0.000 0.251 43 N C -0.878 174.698 175.510 0.110 0.000 1.101 43 N CA 1.501 54.546 53.050 -0.008 0.000 0.764 43 N CB -0.951 37.536 38.487 0.001 0.000 1.122 43 N HN 0.717 nan 8.380 nan 0.000 0.561 44 E N -0.040 120.219 120.200 0.098 0.000 2.288 44 E HA 0.476 4.830 4.350 0.007 0.000 0.268 44 E C 0.130 176.798 176.600 0.113 0.000 0.885 44 E CA -0.880 55.606 56.400 0.144 0.000 0.767 44 E CB 2.336 32.073 29.700 0.062 0.000 1.220 44 E HN 0.200 nan 8.360 nan 0.000 0.427 45 I N 1.577 122.204 120.570 0.095 0.000 2.892 45 I HA 0.013 4.187 4.170 0.007 0.000 0.287 45 I C -0.411 175.457 176.117 -0.414 0.000 1.205 45 I CA 1.037 62.288 61.300 -0.082 0.000 1.409 45 I CB 0.450 38.301 38.000 -0.248 0.000 1.367 45 I HN 0.564 nan 8.210 nan 0.000 0.597 46 D N 2.743 122.933 120.400 -0.350 0.000 2.671 46 D HA 0.267 4.912 4.640 0.007 0.000 0.273 46 D C -1.017 175.353 176.300 0.117 0.000 1.264 46 D CA -0.081 53.799 54.000 -0.201 0.000 0.788 46 D CB 1.416 42.207 40.800 -0.015 0.000 1.324 46 D HN 0.669 nan 8.370 nan 0.000 0.424 47 T N -1.488 113.258 114.554 0.320 0.000 2.748 47 T HA 0.119 4.473 4.350 0.007 0.000 0.304 47 T C 0.323 175.245 174.700 0.370 0.000 1.041 47 T CA -0.221 62.114 62.100 0.391 0.000 1.033 47 T CB 0.932 69.950 68.868 0.249 0.000 0.995 47 T HN 0.524 nan 8.240 nan 0.000 0.536 48 W N 0.178 121.619 121.300 0.235 0.000 3.954 48 W HA 0.259 4.923 4.660 0.007 0.000 0.217 48 W C 0.005 176.668 176.519 0.241 0.000 0.896 48 W CA 0.084 57.578 57.345 0.249 0.000 2.196 48 W CB 0.074 29.732 29.460 0.329 0.000 1.005 48 W HN 0.574 nan 8.180 nan 0.000 0.782 49 E N 2.038 122.621 120.200 0.638 0.000 2.343 49 E HA -0.013 4.342 4.350 0.007 0.000 0.269 49 E C 1.424 178.176 176.600 0.254 0.000 1.047 49 E CA -0.086 56.610 56.400 0.493 0.000 0.874 49 E CB 0.097 30.015 29.700 0.363 0.000 1.033 49 E HN 0.332 nan 8.360 nan 0.000 0.409 50 W N 3.919 125.361 121.300 0.237 0.000 2.331 50 W HA -0.185 4.479 4.660 0.007 0.000 0.291 50 W C 0.553 177.146 176.519 0.122 0.000 1.214 50 W CA 1.242 58.681 57.345 0.157 0.000 1.228 50 W CB -0.722 28.829 29.460 0.151 0.000 1.135 50 W HN 0.388 nan 8.180 nan 0.000 0.537 51 N N 0.533 118.625 118.700 -1.013 0.000 2.273 51 N HA -0.048 4.696 4.740 0.007 0.000 0.231 51 N C 0.547 175.757 175.510 -0.501 0.000 1.134 51 N CA 0.201 52.697 53.050 -0.922 0.000 0.856 51 N CB -0.738 36.847 38.487 -1.503 0.000 1.068 51 N HN -0.100 nan 8.380 nan 0.000 0.510 52 D N 0.834 121.001 120.400 -0.389 0.000 2.116 52 D HA -0.157 4.487 4.640 0.007 0.000 0.193 52 D C 2.122 177.840 176.300 -0.970 0.000 0.998 52 D CA 1.686 55.336 54.000 -0.584 0.000 0.836 52 D CB -0.045 40.417 40.800 -0.564 0.000 0.951 52 D HN 0.302 nan 8.370 nan 0.000 0.449 53 V N -1.055 118.442 119.914 -0.696 0.000 2.469 53 V HA -0.204 3.920 4.120 0.007 0.000 0.251 53 V C 2.112 178.046 176.094 -0.267 0.000 1.064 53 V CA 2.057 64.060 62.300 -0.495 0.000 1.066 53 V CB -1.155 30.576 31.823 -0.154 0.000 0.667 53 V HN 0.019 nan 8.190 nan 0.000 0.461 54 T N 1.006 115.411 114.554 -0.249 0.000 2.857 54 T HA 0.143 4.497 4.350 0.007 0.000 0.266 54 T C 1.820 176.446 174.700 -0.123 0.000 1.048 54 T CA 1.792 63.802 62.100 -0.150 0.000 1.139 54 T CB -0.272 68.509 68.868 -0.145 0.000 0.874 54 T HN 0.462 nan 8.240 nan 0.000 0.455 55 L N -0.349 120.779 121.223 -0.159 0.000 2.179 55 L HA -0.004 4.340 4.340 0.007 0.000 0.208 55 L C 2.375 179.225 176.870 -0.035 0.000 1.096 55 L CA 1.001 55.821 54.840 -0.033 0.000 0.779 55 L CB -0.649 41.477 42.059 0.113 0.000 0.922 55 L HN 0.240 nan 8.230 nan 0.000 0.443 56 Y N 0.697 120.831 120.300 -0.276 0.000 2.128 56 Y HA -0.295 4.259 4.550 0.007 0.000 0.284 56 Y C 2.511 178.230 175.900 -0.302 0.000 1.154 56 Y CA 1.319 59.203 58.100 -0.360 0.000 1.149 56 Y CB -0.931 37.335 38.460 -0.323 0.000 0.976 56 Y HN 0.279 nan 8.280 nan 0.000 0.505 57 D N -0.842 119.544 120.400 -0.023 0.000 2.117 57 D HA -0.143 4.501 4.640 0.007 0.000 0.197 57 D C 1.949 178.197 176.300 -0.087 0.000 0.987 57 D CA 1.988 55.947 54.000 -0.069 0.000 0.829 57 D CB -0.096 40.678 40.800 -0.043 0.000 0.961 57 D HN 0.222 nan 8.370 nan 0.000 0.460 58 T N 0.112 114.625 114.554 -0.067 0.000 2.788 58 T HA -0.128 4.226 4.350 0.007 0.000 0.268 58 T C 1.758 176.404 174.700 -0.090 0.000 1.044 58 T CA 1.061 63.122 62.100 -0.065 0.000 1.139 58 T CB -0.320 68.528 68.868 -0.033 0.000 0.867 58 T HN 0.127 nan 8.240 nan 0.000 0.454 59 L N 1.604 122.769 121.223 -0.097 0.000 2.044 59 L HA 0.074 4.418 4.340 0.007 0.000 0.205 59 L C 1.729 178.502 176.870 -0.161 0.000 1.075 59 L CA 1.791 56.560 54.840 -0.119 0.000 0.747 59 L CB -0.786 41.245 42.059 -0.047 0.000 0.903 59 L HN 0.164 nan 8.230 nan 0.000 0.435 60 N N -1.272 117.297 118.700 -0.218 0.000 2.520 60 N HA -0.138 4.606 4.740 0.007 0.000 0.185 60 N C 1.326 176.729 175.510 -0.179 0.000 1.068 60 N CA 1.083 53.985 53.050 -0.247 0.000 0.911 60 N CB -0.069 38.207 38.487 -0.352 0.000 0.961 60 N HN 0.614 nan 8.380 nan 0.000 0.446 61 T N -1.391 113.076 114.554 -0.144 0.000 3.055 61 T HA 0.043 4.397 4.350 0.007 0.000 0.265 61 T C 1.670 176.298 174.700 -0.120 0.000 1.111 61 T CA 0.368 62.398 62.100 -0.116 0.000 1.118 61 T CB -0.258 68.555 68.868 -0.091 0.000 0.909 61 T HN 0.145 nan 8.240 nan 0.000 0.501 62 L N 0.184 121.324 121.223 -0.138 0.000 2.265 62 L HA 0.001 4.345 4.340 0.007 0.000 0.215 62 L C 2.622 179.378 176.870 -0.189 0.000 1.117 62 L CA 1.203 55.949 54.840 -0.158 0.000 0.782 62 L CB -0.532 41.423 42.059 -0.173 0.000 0.914 62 L HN 0.266 nan 8.230 nan 0.000 0.441 63 K N -0.143 120.153 120.400 -0.173 0.000 2.442 63 K HA -0.071 4.253 4.320 0.007 0.000 0.198 63 K C 1.578 178.096 176.600 -0.138 0.000 1.042 63 K CA 0.502 56.688 56.287 -0.169 0.000 0.958 63 K CB -0.072 32.336 32.500 -0.154 0.000 0.766 63 K HN 0.280 nan 8.250 nan 0.000 0.474 64 N N 0.597 119.227 118.700 -0.117 0.000 2.409 64 N HA -0.038 4.706 4.740 0.007 0.000 0.179 64 N C 1.325 176.795 175.510 -0.067 0.000 1.032 64 N CA 0.764 53.765 53.050 -0.081 0.000 0.898 64 N CB 0.217 38.664 38.487 -0.066 0.000 0.971 64 N HN 0.193 nan 8.380 nan 0.000 0.441 65 R N -0.047 120.394 120.500 -0.099 0.000 2.156 65 R HA 0.111 4.455 4.340 0.007 0.000 0.207 65 R C 0.039 176.253 176.300 -0.143 0.000 1.040 65 R CA 0.325 56.387 56.100 -0.063 0.000 1.013 65 R CB 0.075 30.339 30.300 -0.061 0.000 0.931 65 R HN 0.041 nan 8.270 nan 0.000 0.465 66 N N 0.736 119.236 118.700 -0.333 0.000 2.682 66 N HA 0.181 4.925 4.740 0.007 0.000 0.252 66 N C -2.349 173.029 175.510 -0.220 0.000 1.081 66 N CA -2.244 50.556 53.050 -0.417 0.000 0.844 66 N CB 1.651 39.582 38.487 -0.927 0.000 1.167 66 N HN -0.258 nan 8.380 nan 0.000 0.523 67 P HA -0.103 nan 4.420 nan 0.000 0.217 67 P C 0.507 177.754 177.300 -0.089 0.000 1.151 67 P CA 1.165 64.218 63.100 -0.078 0.000 0.849 67 P CB 0.370 32.051 31.700 -0.033 0.000 0.787 68 N N -1.338 117.311 118.700 -0.085 0.000 2.467 68 N HA 0.012 4.756 4.740 0.007 0.000 0.184 68 N C 0.582 176.002 175.510 -0.150 0.000 1.106 68 N CA 0.128 53.123 53.050 -0.091 0.000 0.892 68 N CB -0.443 38.015 38.487 -0.049 0.000 0.969 68 N HN 0.185 nan 8.380 nan 0.000 0.454 69 L N 1.594 122.707 121.223 -0.184 0.000 2.499 69 L HA 0.017 4.361 4.340 0.007 0.000 0.273 69 L C -0.075 176.666 176.870 -0.214 0.000 1.195 69 L CA 0.488 55.197 54.840 -0.219 0.000 0.882 69 L CB 0.399 42.316 42.059 -0.236 0.000 1.133 69 L HN -0.125 nan 8.230 nan 0.000 0.483 70 K N 3.022 123.254 120.400 -0.281 0.000 2.207 70 K HA 0.495 4.819 4.320 0.007 0.000 0.255 70 K C -0.304 176.250 176.600 -0.077 0.000 0.941 70 K CA -0.496 55.662 56.287 -0.215 0.000 0.825 70 K CB 2.079 34.361 32.500 -0.363 0.000 1.119 70 K HN 0.668 nan 8.250 nan 0.000 0.430 71 T N -0.486 114.084 114.554 0.027 0.000 2.887 71 T HA 0.785 5.139 4.350 0.007 0.000 0.288 71 T C -0.411 174.470 174.700 0.301 0.000 1.021 71 T CA -0.847 61.344 62.100 0.153 0.000 1.000 71 T CB 1.126 70.059 68.868 0.108 0.000 1.034 71 T HN 0.222 nan 8.240 nan 0.000 0.467 72 L N 1.359 122.765 121.223 0.305 0.000 2.376 72 L HA 0.728 5.072 4.340 0.007 0.000 0.258 72 L C -1.205 175.599 176.870 -0.110 0.000 1.013 72 L CA -0.972 53.960 54.840 0.152 0.000 0.822 72 L CB 2.155 44.292 42.059 0.130 0.000 1.388 72 L HN 0.734 nan 8.230 nan 0.000 0.413 73 L N 0.641 121.604 121.223 -0.434 0.000 2.322 73 L HA 0.724 5.068 4.340 0.007 0.000 0.281 73 L C -0.238 176.573 176.870 -0.098 0.000 1.014 73 L CA 0.200 54.707 54.840 -0.555 0.000 0.815 73 L CB 1.786 43.208 42.059 -1.063 0.000 1.247 73 L HN 0.568 nan 8.230 nan 0.000 0.421 74 S N 3.845 119.592 115.700 0.079 0.000 2.480 74 S HA 0.742 5.216 4.470 0.007 0.000 0.286 74 S C -0.728 174.081 174.600 0.348 0.000 1.180 74 S CA -0.632 57.722 58.200 0.257 0.000 1.075 74 S CB 0.739 64.188 63.200 0.415 0.000 0.996 74 S HN 0.486 nan 8.310 nan 0.000 0.487 75 V N 4.421 124.507 119.914 0.287 0.000 2.472 75 V HA 0.905 5.029 4.120 0.007 0.000 0.290 75 V C 1.238 177.346 176.094 0.023 0.000 1.037 75 V CA 0.226 62.631 62.300 0.174 0.000 0.908 75 V CB 0.177 32.111 31.823 0.185 0.000 0.985 75 V HN 1.288 nan 8.190 nan 0.000 0.454 76 G N 2.571 111.150 108.800 -0.367 0.000 2.846 76 G HA2 0.449 4.414 3.960 0.007 0.000 0.225 76 G HA3 0.449 4.414 3.960 0.007 0.000 0.225 76 G C 0.461 174.870 174.900 -0.817 0.000 1.285 76 G CA -0.005 44.681 45.100 -0.689 0.000 1.055 76 G HN 2.647 nan 8.290 nan 0.000 0.579 77 G N -2.441 105.676 108.800 -1.138 0.000 2.655 77 G HA2 0.035 3.999 3.960 0.007 0.000 0.680 77 G HA3 0.035 3.999 3.960 0.007 0.000 0.680 77 G C 0.723 175.048 174.900 -0.958 0.000 1.302 77 G CA 0.553 44.427 45.100 -2.044 0.000 0.872 77 G HN 1.359 nan 8.290 nan 0.000 0.540 78 W N -0.062 120.945 121.300 -0.487 0.000 2.388 78 W HA -0.055 4.610 4.660 0.008 0.000 0.294 78 W C 2.087 178.524 176.519 -0.137 0.000 1.212 78 W CA 1.454 58.654 57.345 -0.241 0.000 1.271 78 W CB -0.406 28.939 29.460 -0.191 0.000 1.126 78 W HN 0.528 nan 8.180 nan 0.000 0.535 79 N N -0.330 118.421 118.700 0.085 0.000 2.449 79 N HA -0.029 4.716 4.740 0.007 0.000 0.191 79 N C -0.504 175.159 175.510 0.255 0.000 1.161 79 N CA 0.285 53.422 53.050 0.147 0.000 0.863 79 N CB -0.513 38.068 38.487 0.158 0.000 0.980 79 N HN -0.138 nan 8.380 nan 0.000 0.458 80 F N 0.890 120.853 119.950 0.022 0.000 2.361 80 F HA 0.488 5.019 4.527 0.007 0.000 0.364 80 F C 0.876 176.648 175.800 -0.047 0.000 1.117 80 F CA -1.328 56.683 58.000 0.019 0.000 1.071 80 F CB 0.575 39.545 39.000 -0.049 0.000 1.188 80 F HN -0.070 nan 8.300 nan 0.000 0.464 81 G N 7.206 115.850 108.800 -0.260 0.000 2.248 81 G HA2 0.143 4.107 3.960 0.007 0.000 0.260 81 G HA3 0.143 4.107 3.960 0.007 0.000 0.260 81 G C -1.935 172.949 174.900 -0.027 0.000 1.214 81 G CA -0.915 44.102 45.100 -0.138 0.000 0.979 81 G HN 0.568 nan 8.290 nan 0.000 0.454 82 P HA -0.244 nan 4.420 nan 0.000 0.217 82 P C 2.158 179.547 177.300 0.149 0.000 1.151 82 P CA 1.469 64.718 63.100 0.248 0.000 0.849 82 P CB 0.188 32.077 31.700 0.315 0.000 0.787 83 Q N 0.273 120.109 119.800 0.059 0.000 2.096 83 Q HA -0.210 4.134 4.340 0.007 0.000 0.204 83 Q C 1.968 177.919 176.000 -0.082 0.000 0.982 83 Q CA 1.688 57.496 55.803 0.009 0.000 0.850 83 Q CB -1.041 27.678 28.738 -0.031 0.000 0.901 83 Q HN 0.303 nan 8.270 nan 0.000 0.422 84 R N -0.649 119.741 120.500 -0.184 0.000 2.081 84 R HA -0.062 4.282 4.340 0.007 0.000 0.235 84 R C 2.271 178.415 176.300 -0.260 0.000 1.131 84 R CA 1.451 57.371 56.100 -0.301 0.000 0.960 84 R CB -0.395 29.519 30.300 -0.643 0.000 0.856 84 R HN 0.181 nan 8.270 nan 0.000 0.436 85 F N 0.937 120.691 119.950 -0.327 0.000 2.186 85 F HA -0.161 4.370 4.527 0.007 0.000 0.299 85 F C 2.734 178.020 175.800 -0.857 0.000 1.090 85 F CA 1.282 58.818 58.000 -0.775 0.000 1.307 85 F CB -0.544 37.468 39.000 -1.647 0.000 1.019 85 F HN -0.067 nan 8.300 nan 0.000 0.489 86 S N -0.303 115.218 115.700 -0.298 0.000 2.370 86 S HA -0.222 4.252 4.470 0.007 0.000 0.226 86 S C 2.126 176.691 174.600 -0.058 0.000 1.033 86 S CA 1.549 59.751 58.200 0.003 0.000 1.011 86 S CB -0.204 63.110 63.200 0.190 0.000 0.852 86 S HN 0.365 nan 8.310 nan 0.000 0.457 87 K N 0.376 120.710 120.400 -0.111 0.000 2.155 87 K HA 0.037 4.362 4.320 0.007 0.000 0.203 87 K C 1.986 178.503 176.600 -0.138 0.000 1.052 87 K CA 1.039 57.256 56.287 -0.116 0.000 0.948 87 K CB -0.159 32.269 32.500 -0.120 0.000 0.728 87 K HN 0.357 nan 8.250 nan 0.000 0.448 88 I N 1.245 121.705 120.570 -0.182 0.000 2.163 88 I HA -0.205 3.969 4.170 0.007 0.000 0.240 88 I C 2.496 178.556 176.117 -0.095 0.000 1.081 88 I CA 1.355 62.551 61.300 -0.174 0.000 1.353 88 I CB -1.333 36.479 38.000 -0.315 0.000 1.054 88 I HN 0.074 nan 8.210 nan 0.000 0.407 89 A N 0.350 123.127 122.820 -0.072 0.000 1.969 89 A HA -0.129 4.195 4.320 0.007 0.000 0.218 89 A C 2.538 180.069 177.584 -0.088 0.000 1.169 89 A CA 1.759 53.815 52.037 0.031 0.000 0.635 89 A CB -0.643 18.476 19.000 0.198 0.000 0.810 89 A HN 0.421 nan 8.150 nan 0.000 0.445 90 S N -0.125 115.419 115.700 -0.260 0.000 2.399 90 S HA -0.048 4.426 4.470 0.007 0.000 0.231 90 S C 0.710 175.115 174.600 -0.325 0.000 1.022 90 S CA 0.990 58.828 58.200 -0.605 0.000 0.983 90 S CB -0.090 62.868 63.200 -0.403 0.000 0.803 90 S HN 0.612 nan 8.310 nan 0.000 0.480 91 K N 1.665 121.973 120.400 -0.153 0.000 2.265 91 K HA 0.250 4.574 4.320 0.007 0.000 0.267 91 K C 1.116 177.698 176.600 -0.030 0.000 0.994 91 K CA -0.065 56.177 56.287 -0.076 0.000 0.860 91 K CB 1.379 33.844 32.500 -0.060 0.000 1.099 91 K HN 0.173 nan 8.250 nan 0.000 0.448 92 T N -0.407 114.143 114.554 -0.005 0.000 2.737 92 T HA -0.236 4.118 4.350 0.007 0.000 0.269 92 T C 1.591 176.301 174.700 0.016 0.000 1.040 92 T CA 1.138 63.248 62.100 0.016 0.000 1.142 92 T CB -0.044 68.837 68.868 0.022 0.000 0.861 92 T HN 0.362 nan 8.240 nan 0.000 0.456 93 Q N 1.121 120.925 119.800 0.007 0.000 2.046 93 Q HA 0.038 4.382 4.340 0.007 0.000 0.200 93 Q C 2.847 178.857 176.000 0.016 0.000 0.975 93 Q CA 1.732 57.541 55.803 0.010 0.000 0.836 93 Q CB -0.868 27.871 28.738 0.002 0.000 0.896 93 Q HN 0.634 nan 8.270 nan 0.000 0.428 94 S N 0.475 116.178 115.700 0.005 0.000 2.383 94 S HA -0.117 4.357 4.470 0.007 0.000 0.227 94 S C 1.890 176.522 174.600 0.053 0.000 1.026 94 S CA 1.119 59.324 58.200 0.008 0.000 0.981 94 S CB -0.085 63.096 63.200 -0.033 0.000 0.818 94 S HN 0.314 nan 8.310 nan 0.000 0.472 95 R N 1.359 121.892 120.500 0.055 0.000 2.073 95 R HA -0.012 4.332 4.340 0.007 0.000 0.234 95 R C 2.578 178.953 176.300 0.126 0.000 1.134 95 R CA 1.198 57.366 56.100 0.114 0.000 0.952 95 R CB -0.197 30.155 30.300 0.087 0.000 0.850 95 R HN 0.230 nan 8.270 nan 0.000 0.433 96 R N -0.172 120.370 120.500 0.070 0.000 2.091 96 R HA -0.115 4.229 4.340 0.007 0.000 0.238 96 R C 1.675 178.006 176.300 0.052 0.000 1.136 96 R CA 2.102 58.230 56.100 0.047 0.000 0.959 96 R CB -0.416 29.902 30.300 0.030 0.000 0.856 96 R HN 0.250 nan 8.270 nan 0.000 0.437 97 T N 1.015 115.609 114.554 0.068 0.000 2.708 97 T HA -0.165 4.189 4.350 0.007 0.000 0.266 97 T C 1.338 176.102 174.700 0.106 0.000 1.037 97 T CA 1.536 63.678 62.100 0.071 0.000 1.146 97 T CB -0.414 68.492 68.868 0.063 0.000 0.865 97 T HN 0.282 nan 8.240 nan 0.000 0.435 98 F N 1.736 121.678 119.950 -0.014 0.000 2.102 98 F HA -0.012 4.519 4.527 0.007 0.000 0.298 98 F C 1.973 177.777 175.800 0.007 0.000 1.105 98 F CA 0.722 58.711 58.000 -0.020 0.000 1.239 98 F CB -0.689 38.291 39.000 -0.035 0.000 0.991 98 F HN 0.092 nan 8.300 nan 0.000 0.474 99 I N 0.146 120.620 120.570 -0.160 0.000 2.163 99 I HA -0.321 3.853 4.170 0.007 0.000 0.243 99 I C 2.278 178.310 176.117 -0.141 0.000 1.085 99 I CA 1.641 62.797 61.300 -0.241 0.000 1.347 99 I CB -0.476 37.466 38.000 -0.096 0.000 1.044 99 I HN 0.041 nan 8.210 nan 0.000 0.408 100 K N 0.622 120.988 120.400 -0.056 0.000 2.283 100 K HA -0.097 4.227 4.320 0.007 0.000 0.202 100 K C 2.042 178.640 176.600 -0.003 0.000 1.048 100 K CA 1.247 57.528 56.287 -0.009 0.000 0.948 100 K CB -0.096 32.411 32.500 0.011 0.000 0.742 100 K HN 0.379 nan 8.250 nan 0.000 0.458 101 S N -1.332 114.344 115.700 -0.040 0.000 2.558 101 S HA 0.017 4.491 4.470 0.007 0.000 0.217 101 S C 1.711 176.310 174.600 -0.001 0.000 0.975 101 S CA 0.186 58.384 58.200 -0.004 0.000 0.912 101 S CB 0.077 63.280 63.200 0.004 0.000 0.776 101 S HN -0.025 nan 8.310 nan 0.000 0.526 102 V N 2.813 122.684 119.914 -0.073 0.000 2.302 102 V HA 0.039 4.163 4.120 0.007 0.000 0.243 102 V C -0.444 175.721 176.094 0.120 0.000 1.036 102 V CA 1.352 63.650 62.300 -0.003 0.000 1.020 102 V CB -1.522 30.257 31.823 -0.075 0.000 0.657 102 V HN 0.344 nan 8.190 nan 0.000 0.453 103 P HA -0.118 nan 4.420 nan 0.000 0.215 103 P C -1.422 175.900 177.300 0.035 0.000 1.157 103 P CA 2.050 65.158 63.100 0.015 0.000 0.874 103 P CB -1.245 30.469 31.700 0.024 0.000 0.790 104 P HA -0.167 nan 4.420 nan 0.000 0.216 104 P C 1.506 178.857 177.300 0.085 0.000 1.153 104 P CA 1.054 64.190 63.100 0.059 0.000 0.848 104 P CB -0.487 31.259 31.700 0.076 0.000 0.787 105 F N -0.076 119.894 119.950 0.034 0.000 2.102 105 F HA -0.177 4.354 4.527 0.007 0.000 0.298 105 F C 1.916 177.797 175.800 0.135 0.000 1.105 105 F CA 1.384 59.448 58.000 0.107 0.000 1.239 105 F CB -0.913 38.170 39.000 0.137 0.000 0.991 105 F HN -0.257 nan 8.300 nan 0.000 0.474 106 L N 0.251 121.620 121.223 0.243 0.000 2.046 106 L HA -0.189 4.155 4.340 0.007 0.000 0.208 106 L C 2.492 179.386 176.870 0.040 0.000 1.077 106 L CA 1.633 56.576 54.840 0.172 0.000 0.747 106 L CB -1.155 40.957 42.059 0.088 0.000 0.896 106 L HN 0.010 nan 8.230 nan 0.000 0.432 107 R N -1.234 119.247 120.500 -0.031 0.000 2.092 107 R HA -0.092 4.252 4.340 0.007 0.000 0.231 107 R C 2.251 178.459 176.300 -0.153 0.000 1.119 107 R CA 1.625 57.675 56.100 -0.084 0.000 0.970 107 R CB -0.787 29.469 30.300 -0.072 0.000 0.864 107 R HN 0.299 nan 8.270 nan 0.000 0.440 108 T N -0.244 114.168 114.554 -0.236 0.000 2.746 108 T HA -0.093 4.261 4.350 0.007 0.000 0.267 108 T C 0.972 175.349 174.700 -0.537 0.000 1.039 108 T CA 1.265 63.117 62.100 -0.415 0.000 1.142 108 T CB -0.191 68.319 68.868 -0.597 0.000 0.866 108 T HN 0.349 nan 8.240 nan 0.000 0.444 109 H N -0.279 118.656 119.070 -0.224 0.000 2.539 109 H HA 0.347 4.907 4.556 0.007 0.000 0.269 109 H C 1.794 176.896 175.328 -0.377 0.000 0.980 109 H CA 0.500 56.401 56.048 -0.245 0.000 1.152 109 H CB 0.116 29.742 29.762 -0.226 0.000 1.407 109 H HN 0.518 nan 8.280 nan 0.000 0.564 110 G N 0.935 109.599 108.800 -0.226 0.000 2.137 110 G HA2 -0.265 3.699 3.960 0.007 0.000 0.237 110 G HA3 -0.265 3.699 3.960 0.007 0.000 0.237 110 G C -0.209 174.491 174.900 -0.334 0.000 1.002 110 G CA -0.239 44.697 45.100 -0.273 0.000 0.702 110 G HN 0.175 nan 8.290 nan 0.000 0.515 111 F N 0.569 120.442 119.950 -0.128 0.000 2.382 111 F HA 0.437 4.968 4.527 0.007 0.000 0.331 111 F C 1.355 177.095 175.800 -0.099 0.000 1.121 111 F CA -0.415 57.516 58.000 -0.114 0.000 1.183 111 F CB 0.859 39.787 39.000 -0.119 0.000 1.207 111 F HN -0.007 nan 8.300 nan 0.000 0.555 112 D N 0.757 121.247 120.400 0.151 0.000 2.349 112 D HA 0.254 4.898 4.640 0.007 0.000 0.214 112 D C 0.718 177.041 176.300 0.039 0.000 1.063 112 D CA 0.458 54.489 54.000 0.051 0.000 0.847 112 D CB 0.749 41.572 40.800 0.038 0.000 0.933 112 D HN 0.634 nan 8.370 nan 0.000 0.513 113 G N 0.432 109.276 108.800 0.074 0.000 2.441 113 G HA2 0.399 4.363 3.960 0.007 0.000 0.294 113 G HA3 0.399 4.363 3.960 0.007 0.000 0.294 113 G C -2.307 172.623 174.900 0.051 0.000 1.393 113 G CA -0.776 44.344 45.100 0.033 0.000 0.796 113 G HN 0.041 nan 8.290 nan 0.000 0.494 114 L N 0.404 121.704 121.223 0.128 0.000 2.346 114 L HA 0.814 5.158 4.340 0.007 0.000 0.276 114 L C -1.190 175.745 176.870 0.107 0.000 1.006 114 L CA -0.630 54.291 54.840 0.136 0.000 0.817 114 L CB 2.096 44.320 42.059 0.275 0.000 1.272 114 L HN 0.598 nan 8.230 nan 0.000 0.421 115 D N 3.838 124.295 120.400 0.095 0.000 2.308 115 D HA 0.408 5.052 4.640 0.007 0.000 0.242 115 D C -1.193 175.206 176.300 0.165 0.000 1.059 115 D CA -0.152 53.908 54.000 0.101 0.000 0.830 115 D CB 1.077 41.959 40.800 0.136 0.000 1.161 115 D HN 0.526 nan 8.370 nan 0.000 0.494 116 L N 3.048 124.350 121.223 0.131 0.000 2.265 116 L HA 0.600 4.944 4.340 0.007 0.000 0.288 116 L C 0.198 177.131 176.870 0.104 0.000 1.058 116 L CA -0.793 54.128 54.840 0.134 0.000 0.809 116 L CB 1.488 43.595 42.059 0.079 0.000 1.179 116 L HN 0.563 nan 8.230 nan 0.000 0.429 117 A N 4.238 127.115 122.820 0.094 0.000 3.165 117 A HA 0.163 4.487 4.320 0.007 0.000 0.331 117 A C -0.793 176.721 177.584 -0.117 0.000 1.034 117 A CA -0.449 51.579 52.037 -0.015 0.000 0.906 117 A CB -0.052 18.959 19.000 0.019 0.000 1.054 117 A HN 0.736 nan 8.150 nan 0.000 0.484 118 W N 3.476 124.515 121.300 -0.435 0.000 2.497 118 W HA 0.367 5.031 4.660 0.007 0.000 0.354 118 W C -0.979 175.311 176.519 -0.382 0.000 1.111 118 W CA -0.998 56.005 57.345 -0.570 0.000 1.510 118 W CB 0.109 29.020 29.460 -0.916 0.000 1.466 118 W HN 0.381 nan 8.180 nan 0.000 0.409 119 L N 9.234 130.395 121.223 -0.104 0.000 2.395 119 L HA 0.099 4.443 4.340 0.007 0.000 0.268 119 L C -0.596 175.924 176.870 -0.584 0.000 1.223 119 L CA -0.119 54.321 54.840 -0.667 0.000 1.093 119 L CB -1.052 40.412 42.059 -0.993 0.000 1.349 119 L HN 0.420 nan 8.230 nan 0.000 0.427 120 Y N 0.608 120.902 120.300 -0.009 0.000 2.891 120 Y HA -0.142 4.412 4.550 0.007 0.000 0.038 120 Y C -2.436 173.266 175.900 -0.331 0.000 2.240 120 Y CA -1.307 56.711 58.100 -0.137 0.000 1.143 120 Y CB -1.153 37.307 38.460 -0.001 0.000 1.842 120 Y HN 0.444 nan 8.280 nan 0.000 0.290 121 P HA 0.301 nan 4.420 nan 0.000 0.278 121 P C 0.529 177.573 177.300 -0.425 0.000 1.238 121 P CA 0.194 62.716 63.100 -0.963 0.000 0.794 121 P CB 1.064 31.872 31.700 -1.487 0.000 0.955 122 G N 1.045 109.714 108.800 -0.218 0.000 2.613 122 G HA2 0.202 4.166 3.960 0.007 0.000 0.303 122 G HA3 0.202 4.166 3.960 0.007 0.000 0.303 122 G C 0.801 175.617 174.900 -0.139 0.000 1.312 122 G CA -0.583 44.446 45.100 -0.117 0.000 1.036 122 G HN 0.459 nan 8.290 nan 0.000 0.513 123 R N -0.561 119.889 120.500 -0.084 0.000 2.105 123 R HA -0.061 4.284 4.340 0.007 0.000 0.239 123 R C 2.170 178.431 176.300 -0.065 0.000 1.135 123 R CA 1.317 57.372 56.100 -0.075 0.000 0.967 123 R CB -0.177 30.097 30.300 -0.043 0.000 0.861 123 R HN 0.497 nan 8.270 nan 0.000 0.442 124 R N -0.104 120.381 120.500 -0.026 0.000 2.276 124 R HA -0.008 4.336 4.340 0.007 0.000 0.203 124 R C 0.837 177.166 176.300 0.048 0.000 1.017 124 R CA 0.879 56.989 56.100 0.016 0.000 1.010 124 R CB 0.177 30.513 30.300 0.059 0.000 0.900 124 R HN 0.382 nan 8.270 nan 0.000 0.469 125 D N 0.410 120.808 120.400 -0.003 0.000 2.355 125 D HA -0.059 4.585 4.640 0.007 0.000 0.206 125 D C 1.503 177.697 176.300 -0.176 0.000 1.010 125 D CA 0.278 54.289 54.000 0.018 0.000 0.875 125 D CB 0.170 40.914 40.800 -0.092 0.000 0.966 125 D HN 0.109 nan 8.370 nan 0.000 0.512 126 K N 1.672 121.924 120.400 -0.248 0.000 2.071 126 K HA -0.243 4.081 4.320 0.007 0.000 0.217 126 K C 2.118 178.593 176.600 -0.209 0.000 1.054 126 K CA 1.349 57.479 56.287 -0.261 0.000 0.937 126 K CB 0.063 32.449 32.500 -0.190 0.000 0.719 126 K HN -0.067 nan 8.250 nan 0.000 0.454 127 R N -0.484 119.869 120.500 -0.244 0.000 2.120 127 R HA -0.135 4.210 4.340 0.007 0.000 0.234 127 R C 2.012 178.164 176.300 -0.248 0.000 1.123 127 R CA 1.546 57.483 56.100 -0.272 0.000 0.975 127 R CB -0.180 29.900 30.300 -0.366 0.000 0.866 127 R HN 0.492 nan 8.270 nan 0.000 0.446 128 H N 0.078 119.162 119.070 0.023 0.000 2.470 128 H HA -0.055 4.505 4.556 0.007 0.000 0.289 128 H C 2.013 177.411 175.328 0.116 0.000 1.033 128 H CA 0.526 56.627 56.048 0.088 0.000 1.331 128 H CB -0.003 29.854 29.762 0.158 0.000 1.414 128 H HN 0.197 nan 8.280 nan 0.000 0.545 129 L N 0.616 121.907 121.223 0.114 0.000 2.027 129 L HA -0.152 4.192 4.340 0.007 0.000 0.206 129 L C 1.956 178.852 176.870 0.042 0.000 1.074 129 L CA 1.438 56.309 54.840 0.052 0.000 0.745 129 L CB -0.440 41.462 42.059 -0.262 0.000 0.898 129 L HN 0.183 nan 8.230 nan 0.000 0.433 130 T N -0.587 113.967 114.554 -0.001 0.000 2.684 130 T HA -0.202 4.152 4.350 0.007 0.000 0.267 130 T C 1.754 176.464 174.700 0.017 0.000 1.036 130 T CA 2.085 64.195 62.100 0.015 0.000 1.148 130 T CB -0.370 68.497 68.868 -0.001 0.000 0.863 130 T HN 0.413 nan 8.240 nan 0.000 0.436 131 T N 2.241 116.816 114.554 0.036 0.000 2.684 131 T HA -0.062 4.292 4.350 0.007 0.000 0.267 131 T C 1.888 176.607 174.700 0.032 0.000 1.036 131 T CA 0.992 63.115 62.100 0.038 0.000 1.148 131 T CB -0.493 68.434 68.868 0.099 0.000 0.863 131 T HN 0.130 nan 8.240 nan 0.000 0.436 132 L N 1.341 122.618 121.223 0.090 0.000 2.042 132 L HA -0.045 4.299 4.340 0.007 0.000 0.210 132 L C 2.411 179.289 176.870 0.014 0.000 1.076 132 L CA 1.577 56.476 54.840 0.099 0.000 0.749 132 L CB -0.805 41.374 42.059 0.199 0.000 0.893 132 L HN 0.089 nan 8.230 nan 0.000 0.432 133 V N -0.437 119.477 119.914 -0.000 0.000 2.358 133 V HA -0.277 3.847 4.120 0.007 0.000 0.246 133 V C 2.623 178.612 176.094 -0.175 0.000 1.047 133 V CA 1.967 64.237 62.300 -0.049 0.000 1.035 133 V CB -0.641 31.195 31.823 0.021 0.000 0.658 133 V HN 0.439 nan 8.190 nan 0.000 0.452 134 K N -0.069 120.178 120.400 -0.254 0.000 1.985 134 K HA -0.210 4.114 4.320 0.007 0.000 0.210 134 K C 2.227 178.635 176.600 -0.321 0.000 1.047 134 K CA 1.972 57.948 56.287 -0.517 0.000 0.932 134 K CB -0.208 32.053 32.500 -0.398 0.000 0.716 134 K HN 0.526 nan 8.250 nan 0.000 0.439 135 E N 0.207 120.295 120.200 -0.187 0.000 2.110 135 E HA -0.216 4.138 4.350 0.007 0.000 0.193 135 E C 1.917 178.407 176.600 -0.184 0.000 0.988 135 E CA 1.146 57.463 56.400 -0.137 0.000 0.804 135 E CB -0.040 29.620 29.700 -0.067 0.000 0.745 135 E HN 0.170 nan 8.360 nan 0.000 0.458 136 M N 1.247 120.701 119.600 -0.242 0.000 2.086 136 M HA -0.166 4.318 4.480 0.007 0.000 0.261 136 M C 2.011 177.923 176.300 -0.646 0.000 1.067 136 M CA 1.663 56.697 55.300 -0.444 0.000 1.116 136 M CB -0.015 32.320 32.600 -0.442 0.000 1.348 136 M HN -0.218 nan 8.290 nan 0.000 0.407 137 K N 0.250 120.387 120.400 -0.439 0.000 2.057 137 K HA 0.028 4.352 4.320 0.007 0.000 0.207 137 K C 1.815 178.345 176.600 -0.117 0.000 1.049 137 K CA 1.875 57.999 56.287 -0.273 0.000 0.931 137 K CB -0.857 31.576 32.500 -0.110 0.000 0.714 137 K HN 0.397 nan 8.250 nan 0.000 0.440 138 A N 0.517 123.260 122.820 -0.128 0.000 1.908 138 A HA -0.191 4.133 4.320 0.007 0.000 0.218 138 A C 2.142 179.723 177.584 -0.006 0.000 1.181 138 A CA 2.075 54.081 52.037 -0.051 0.000 0.627 138 A CB -0.707 18.251 19.000 -0.069 0.000 0.818 138 A HN 0.502 nan 8.150 nan 0.000 0.445 139 E N -0.734 119.443 120.200 -0.039 0.000 2.106 139 E HA -0.127 4.227 4.350 0.007 0.000 0.192 139 E C 1.517 178.248 176.600 0.219 0.000 0.984 139 E CA 1.137 57.565 56.400 0.047 0.000 0.806 139 E CB -0.394 29.308 29.700 0.003 0.000 0.750 139 E HN 0.503 nan 8.360 nan 0.000 0.458 140 F N 0.235 120.179 119.950 -0.011 0.000 2.234 140 F HA 0.013 4.544 4.527 0.007 0.000 0.299 140 F C 2.087 177.891 175.800 0.007 0.000 1.087 140 F CA 0.516 58.515 58.000 -0.001 0.000 1.340 140 F CB -0.591 38.411 39.000 0.004 0.000 1.031 140 F HN 0.110 nan 8.300 nan 0.000 0.500 141 I N -0.708 119.982 120.570 0.200 0.000 2.286 141 I HA -0.250 3.924 4.170 0.007 0.000 0.245 141 I C 2.640 178.807 176.117 0.084 0.000 1.104 141 I CA 0.902 62.273 61.300 0.117 0.000 1.397 141 I CB -0.285 37.766 38.000 0.086 0.000 1.072 141 I HN -0.044 nan 8.210 nan 0.000 0.417 142 R N 0.803 121.351 120.500 0.079 0.000 2.073 142 R HA -0.206 4.139 4.340 0.007 0.000 0.234 142 R C 2.385 178.717 176.300 0.053 0.000 1.134 142 R CA 1.461 57.595 56.100 0.056 0.000 0.952 142 R CB -0.194 30.136 30.300 0.049 0.000 0.850 142 R HN 0.219 nan 8.270 nan 0.000 0.433 143 E N 0.206 120.449 120.200 0.072 0.000 2.160 143 E HA -0.179 4.176 4.350 0.007 0.000 0.195 143 E C 1.512 178.125 176.600 0.021 0.000 0.991 143 E CA 1.320 57.748 56.400 0.045 0.000 0.810 143 E CB -0.051 29.679 29.700 0.050 0.000 0.742 143 E HN 0.446 nan 8.360 nan 0.000 0.466 144 A N 0.660 123.498 122.820 0.029 0.000 2.172 144 A HA -0.166 4.158 4.320 0.007 0.000 0.216 144 A C 1.963 179.555 177.584 0.013 0.000 1.154 144 A CA 0.971 53.016 52.037 0.014 0.000 0.701 144 A CB -0.386 18.630 19.000 0.026 0.000 0.789 144 A HN 0.295 nan 8.150 nan 0.000 0.465 145 Q N -0.684 119.127 119.800 0.019 0.000 2.291 145 Q HA -0.052 4.292 4.340 0.007 0.000 0.206 145 Q C 1.877 177.881 176.000 0.007 0.000 0.976 145 Q CA 0.965 56.776 55.803 0.015 0.000 0.875 145 Q CB -0.310 28.439 28.738 0.017 0.000 0.927 145 Q HN 0.686 nan 8.270 nan 0.000 0.450 146 A N -0.057 122.766 122.820 0.004 0.000 2.258 146 A HA 0.247 4.571 4.320 0.007 0.000 0.206 146 A C 1.420 179.000 177.584 -0.007 0.000 1.222 146 A CA 0.727 52.763 52.037 -0.002 0.000 0.822 146 A CB -0.651 18.346 19.000 -0.005 0.000 0.804 146 A HN 0.460 nan 8.150 nan 0.000 0.483 147 G N -1.608 107.189 108.800 -0.005 0.000 2.159 147 G HA2 -0.233 3.731 3.960 0.007 0.000 0.256 147 G HA3 -0.233 3.731 3.960 0.007 0.000 0.256 147 G C 0.473 175.365 174.900 -0.013 0.000 0.977 147 G CA 0.729 45.825 45.100 -0.007 0.000 0.652 147 G HN 1.041 nan 8.290 nan 0.000 0.531 148 T N -0.245 114.298 114.554 -0.018 0.000 2.895 148 T HA 0.516 4.871 4.350 0.007 0.000 0.283 148 T C 0.334 175.018 174.700 -0.026 0.000 1.014 148 T CA 0.178 62.262 62.100 -0.027 0.000 1.037 148 T CB 1.317 70.163 68.868 -0.037 0.000 1.006 148 T HN 0.460 nan 8.240 nan 0.000 0.468 149 E N 3.131 123.314 120.200 -0.028 0.000 2.729 149 E HA -0.058 4.296 4.350 0.007 0.000 0.246 149 E C 0.271 176.852 176.600 -0.032 0.000 0.984 149 E CA 0.311 56.697 56.400 -0.023 0.000 0.951 149 E CB 0.212 29.898 29.700 -0.025 0.000 0.914 149 E HN 0.561 nan 8.360 nan 0.000 0.509 150 Q N 4.142 123.934 119.800 -0.013 0.000 2.304 150 Q HA -0.071 4.273 4.340 0.007 0.000 0.315 150 Q C -0.481 175.490 176.000 -0.048 0.000 1.075 150 Q CA 0.029 55.824 55.803 -0.013 0.000 0.988 150 Q CB 0.439 29.201 28.738 0.039 0.000 1.146 150 Q HN 0.605 nan 8.270 nan 0.000 0.383 151 L N 4.505 125.626 121.223 -0.170 0.000 2.461 151 L HA 0.097 4.441 4.340 0.007 0.000 0.272 151 L C 0.114 176.943 176.870 -0.069 0.000 1.197 151 L CA -0.127 54.528 54.840 -0.308 0.000 0.836 151 L CB 0.234 41.711 42.059 -0.971 0.000 1.105 151 L HN 0.593 nan 8.230 nan 0.000 0.477 152 L N 3.255 124.490 121.223 0.020 0.000 2.399 152 L HA 0.434 4.778 4.340 0.007 0.000 0.266 152 L C -0.491 176.517 176.870 0.231 0.000 1.114 152 L CA -0.508 54.423 54.840 0.152 0.000 0.804 152 L CB 1.408 43.579 42.059 0.186 0.000 1.146 152 L HN 0.367 nan 8.230 nan 0.000 0.451 153 L N 2.245 123.568 121.223 0.167 0.000 2.406 153 L HA 0.602 4.946 4.340 0.007 0.000 0.272 153 L C -0.362 176.410 176.870 -0.164 0.000 0.980 153 L CA 0.158 55.061 54.840 0.104 0.000 0.831 153 L CB 1.773 43.894 42.059 0.102 0.000 1.253 153 L HN 0.732 nan 8.230 nan 0.000 0.406 154 S N 3.360 118.904 115.700 -0.261 0.000 2.697 154 S HA 1.050 5.524 4.470 0.007 0.000 0.289 154 S C -0.855 173.634 174.600 -0.186 0.000 1.149 154 S CA -0.255 57.644 58.200 -0.501 0.000 0.850 154 S CB 1.905 64.413 63.200 -1.154 0.000 1.151 154 S HN 1.268 nan 8.310 nan 0.000 0.491 155 A N 0.019 122.767 122.820 -0.120 0.000 2.520 155 A HA 0.872 5.196 4.320 0.007 0.000 0.298 155 A C -0.605 177.032 177.584 0.089 0.000 1.051 155 A CA -0.472 51.577 52.037 0.020 0.000 0.690 155 A CB 1.198 20.215 19.000 0.029 0.000 1.281 155 A HN 1.827 nan 8.150 nan 0.000 0.402 156 A N 1.378 124.279 122.820 0.135 0.000 2.260 156 A HA 0.648 4.972 4.320 0.007 0.000 0.308 156 A C -0.496 177.135 177.584 0.078 0.000 1.254 156 A CA -0.333 51.793 52.037 0.149 0.000 0.874 156 A CB 0.259 19.358 19.000 0.167 0.000 1.153 156 A HN 1.267 nan 8.150 nan 0.000 0.527 157 V N 2.416 122.343 119.914 0.021 0.000 2.628 157 V HA 0.474 4.598 4.120 0.007 0.000 0.306 157 V C 0.828 176.857 176.094 -0.109 0.000 1.045 157 V CA -0.478 61.758 62.300 -0.107 0.000 0.905 157 V CB 1.944 33.579 31.823 -0.314 0.000 0.997 157 V HN 1.062 nan 8.190 nan 0.000 0.436 158 S N 3.375 119.031 115.700 -0.073 0.000 2.568 158 S HA 0.325 4.799 4.470 0.007 0.000 0.282 158 S C 0.913 175.418 174.600 -0.157 0.000 1.338 158 S CA 0.300 58.461 58.200 -0.066 0.000 1.045 158 S CB 1.167 64.280 63.200 -0.146 0.000 0.873 158 S HN 1.204 nan 8.310 nan 0.000 0.516 159 A N 3.552 126.291 122.820 -0.136 0.000 2.460 159 A HA 0.494 4.819 4.320 0.007 0.000 0.258 159 A C 0.919 178.585 177.584 0.137 0.000 1.300 159 A CA 0.024 52.054 52.037 -0.012 0.000 0.913 159 A CB -0.537 18.453 19.000 -0.017 0.000 1.031 159 A HN 1.065 nan 8.150 nan 0.000 0.512 160 G N -0.083 108.737 108.800 0.034 0.000 2.327 160 G HA2 0.349 4.313 3.960 0.007 0.000 0.302 160 G HA3 0.349 4.313 3.960 0.007 0.000 0.302 160 G C 0.817 175.753 174.900 0.060 0.000 1.113 160 G CA -0.388 44.777 45.100 0.108 0.000 0.921 160 G HN 0.090 nan 8.290 nan 0.000 0.425 161 K N 2.408 122.837 120.400 0.047 0.000 2.066 161 K HA -0.221 4.103 4.320 0.007 0.000 0.221 161 K C 2.206 178.753 176.600 -0.088 0.000 1.056 161 K CA 1.508 57.715 56.287 -0.132 0.000 0.950 161 K CB -0.245 31.949 32.500 -0.510 0.000 0.726 161 K HN 0.635 nan 8.250 nan 0.000 0.456 162 I N 0.281 120.803 120.570 -0.081 0.000 2.226 162 I HA -0.268 3.906 4.170 0.007 0.000 0.245 162 I C 2.442 178.551 176.117 -0.013 0.000 1.100 162 I CA 1.220 62.493 61.300 -0.045 0.000 1.374 162 I CB -0.500 37.487 38.000 -0.022 0.000 1.057 162 I HN 0.203 nan 8.210 nan 0.000 0.413 163 A N 1.119 123.926 122.820 -0.021 0.000 1.902 163 A HA -0.161 4.163 4.320 0.007 0.000 0.217 163 A C 2.273 179.933 177.584 0.127 0.000 1.181 163 A CA 1.302 53.326 52.037 -0.022 0.000 0.623 163 A CB -0.662 18.245 19.000 -0.156 0.000 0.818 163 A HN 0.354 nan 8.150 nan 0.000 0.443 164 I N -0.074 120.569 120.570 0.122 0.000 2.179 164 I HA -0.229 3.945 4.170 0.007 0.000 0.242 164 I C 1.711 177.956 176.117 0.213 0.000 1.088 164 I CA 1.517 62.929 61.300 0.188 0.000 1.357 164 I CB -0.460 37.610 38.000 0.117 0.000 1.051 164 I HN 0.250 nan 8.210 nan 0.000 0.409 165 D N 0.338 120.827 120.400 0.148 0.000 2.219 165 D HA -0.175 4.469 4.640 0.007 0.000 0.205 165 D C 2.151 178.480 176.300 0.047 0.000 0.970 165 D CA 0.840 54.901 54.000 0.103 0.000 0.851 165 D CB -0.265 40.586 40.800 0.084 0.000 0.943 165 D HN 0.343 nan 8.370 nan 0.000 0.488 166 R N 0.412 120.930 120.500 0.029 0.000 2.057 166 R HA -0.033 4.311 4.340 0.007 0.000 0.229 166 R C 1.750 177.992 176.300 -0.096 0.000 1.136 166 R CA 1.668 57.750 56.100 -0.029 0.000 0.952 166 R CB -0.181 30.094 30.300 -0.041 0.000 0.848 166 R HN 0.158 nan 8.270 nan 0.000 0.430 167 G N -1.018 107.685 108.800 -0.161 0.000 3.228 167 G HA2 0.161 4.125 3.960 0.007 0.000 0.245 167 G HA3 0.161 4.125 3.960 0.007 0.000 0.245 167 G C -0.669 173.891 174.900 -0.566 0.000 1.051 167 G CA -0.322 44.521 45.100 -0.428 0.000 0.809 167 G HN 0.176 nan 8.290 nan 0.000 0.531 168 Y N 0.238 120.455 120.300 -0.139 0.000 2.376 168 Y HA 0.449 5.003 4.550 0.007 0.000 0.340 168 Y C -0.886 174.956 175.900 -0.097 0.000 0.965 168 Y CA -1.495 56.530 58.100 -0.126 0.000 1.078 168 Y CB 2.229 40.626 38.460 -0.105 0.000 1.193 168 Y HN -0.100 nan 8.280 nan 0.000 0.452 169 D N 3.963 124.399 120.400 0.059 0.000 2.518 169 D HA 0.178 4.822 4.640 0.007 0.000 0.230 169 D C 0.875 177.186 176.300 0.019 0.000 1.138 169 D CA -0.035 53.972 54.000 0.012 0.000 0.964 169 D CB 0.392 41.184 40.800 -0.013 0.000 1.011 169 D HN 0.459 nan 8.370 nan 0.000 0.517 170 I N 1.987 122.558 120.570 0.001 0.000 2.208 170 I HA -0.259 3.915 4.170 0.007 0.000 0.245 170 I C 2.305 178.394 176.117 -0.045 0.000 1.097 170 I CA 0.919 62.199 61.300 -0.033 0.000 1.363 170 I CB -1.333 36.611 38.000 -0.093 0.000 1.051 170 I HN 0.352 nan 8.210 nan 0.000 0.413 171 A N 0.120 122.907 122.820 -0.056 0.000 1.933 171 A HA -0.210 4.114 4.320 0.007 0.000 0.218 171 A C 2.266 179.818 177.584 -0.053 0.000 1.175 171 A CA 1.319 53.320 52.037 -0.060 0.000 0.628 171 A CB -0.396 18.569 19.000 -0.059 0.000 0.814 171 A HN 0.446 nan 8.150 nan 0.000 0.444 172 Q N -0.258 119.526 119.800 -0.027 0.000 2.020 172 Q HA -0.094 4.250 4.340 0.007 0.000 0.198 172 Q C 2.282 178.292 176.000 0.017 0.000 0.974 172 Q CA 1.664 57.465 55.803 -0.004 0.000 0.829 172 Q CB -0.521 28.237 28.738 0.034 0.000 0.894 172 Q HN 0.934 nan 8.270 nan 0.000 0.433 173 I N -1.628 118.972 120.570 0.050 0.000 2.614 173 I HA -0.101 4.073 4.170 0.007 0.000 0.258 173 I C 1.903 178.033 176.117 0.022 0.000 1.189 173 I CA 0.927 62.280 61.300 0.089 0.000 1.462 173 I CB -0.285 37.764 38.000 0.081 0.000 1.092 173 I HN -0.144 nan 8.210 nan 0.000 0.442 174 S N 2.087 117.769 115.700 -0.029 0.000 2.399 174 S HA -0.130 4.344 4.470 0.007 0.000 0.231 174 S C 1.988 176.535 174.600 -0.088 0.000 1.022 174 S CA 1.646 59.819 58.200 -0.045 0.000 0.983 174 S CB -0.424 62.746 63.200 -0.050 0.000 0.803 174 S HN 0.658 nan 8.310 nan 0.000 0.480 175 R N 0.406 120.788 120.500 -0.197 0.000 2.276 175 R HA 0.079 4.423 4.340 0.007 0.000 0.203 175 R C 1.120 177.207 176.300 -0.355 0.000 1.017 175 R CA 1.043 56.967 56.100 -0.294 0.000 1.010 175 R CB -0.444 29.629 30.300 -0.378 0.000 0.900 175 R HN 0.468 nan 8.270 nan 0.000 0.469 176 H N 0.439 119.506 119.070 -0.004 0.000 2.729 176 H HA 0.291 4.851 4.556 0.007 0.000 0.263 176 H C 0.536 175.858 175.328 -0.010 0.000 0.961 176 H CA -0.129 55.913 56.048 -0.008 0.000 1.217 176 H CB 0.511 30.259 29.762 -0.023 0.000 1.447 176 H HN 0.032 nan 8.280 nan 0.000 0.496 177 L N 1.864 123.130 121.223 0.072 0.000 2.326 177 L HA 0.079 4.423 4.340 0.007 0.000 0.278 177 L C 1.188 178.070 176.870 0.020 0.000 1.092 177 L CA -0.369 54.482 54.840 0.019 0.000 0.810 177 L CB 1.209 43.261 42.059 -0.013 0.000 1.153 177 L HN -0.017 nan 8.230 nan 0.000 0.439 178 D N 2.217 122.619 120.400 0.002 0.000 2.144 178 D HA -0.034 4.610 4.640 0.007 0.000 0.200 178 D C -0.046 176.378 176.300 0.205 0.000 0.978 178 D CA 1.602 55.660 54.000 0.097 0.000 0.833 178 D CB 0.214 41.097 40.800 0.139 0.000 0.961 178 D HN 0.361 nan 8.370 nan 0.000 0.470 179 F N -1.471 118.497 119.950 0.031 0.000 2.693 179 F HA 0.552 5.083 4.527 0.007 0.000 0.309 179 F C -1.606 174.213 175.800 0.032 0.000 1.129 179 F CA -1.371 56.638 58.000 0.014 0.000 0.948 179 F CB 1.079 40.066 39.000 -0.021 0.000 1.315 179 F HN -0.380 nan 8.300 nan 0.000 0.447 180 I N 2.014 122.740 120.570 0.260 0.000 2.447 180 I HA 0.361 4.535 4.170 0.007 0.000 0.287 180 I C -0.766 175.489 176.117 0.230 0.000 1.023 180 I CA -0.736 60.656 61.300 0.153 0.000 1.083 180 I CB 2.175 40.215 38.000 0.067 0.000 1.245 180 I HN 0.623 nan 8.210 nan 0.000 0.434 181 S N 6.765 122.615 115.700 0.249 0.000 2.452 181 S HA 0.470 4.944 4.470 0.007 0.000 0.284 181 S C -0.186 174.504 174.600 0.150 0.000 1.171 181 S CA -0.511 57.848 58.200 0.265 0.000 1.064 181 S CB 0.714 64.150 63.200 0.392 0.000 0.967 181 S HN 0.375 nan 8.310 nan 0.000 0.484 182 L N 4.320 125.612 121.223 0.115 0.000 2.281 182 L HA 0.329 4.673 4.340 0.007 0.000 0.285 182 L C -0.108 176.745 176.870 -0.028 0.000 1.074 182 L CA -0.436 54.424 54.840 0.034 0.000 0.817 182 L CB 0.667 42.760 42.059 0.056 0.000 1.168 182 L HN 0.570 nan 8.230 nan 0.000 0.434 183 L N 4.351 125.478 121.223 -0.161 0.000 2.533 183 L HA 0.056 4.400 4.340 0.007 0.000 0.239 183 L C 0.978 177.462 176.870 -0.644 0.000 1.376 183 L CA -0.184 54.355 54.840 -0.501 0.000 1.240 183 L CB -0.631 41.188 42.059 -0.401 0.000 1.487 183 L HN 0.667 nan 8.230 nan 0.000 0.419 184 T N -2.708 111.631 114.554 -0.359 0.000 3.792 184 T HA 0.038 4.392 4.350 0.007 0.000 0.233 184 T C 0.346 175.007 174.700 -0.065 0.000 0.860 184 T CA -0.173 61.833 62.100 -0.157 0.000 0.915 184 T CB -0.856 68.105 68.868 0.155 0.000 1.216 184 T HN 0.523 nan 8.240 nan 0.000 0.664 185 Y N -2.112 118.125 120.300 -0.106 0.000 2.863 185 Y HA 0.583 5.137 4.550 0.007 0.000 0.254 185 Y C -0.170 175.808 175.900 0.130 0.000 1.124 185 Y CA -1.888 56.251 58.100 0.064 0.000 1.203 185 Y CB -0.283 38.265 38.460 0.147 0.000 1.269 185 Y HN 0.279 nan 8.280 nan 0.000 0.586 186 D N 0.329 120.643 120.400 -0.142 0.000 2.945 186 D HA 0.274 4.918 4.640 0.007 0.000 0.366 186 D C -0.516 175.769 176.300 -0.026 0.000 1.352 186 D CA -0.298 53.733 54.000 0.052 0.000 0.810 186 D CB -0.423 40.413 40.800 0.059 0.000 1.170 186 D HN 0.187 nan 8.370 nan 0.000 0.461 187 F N 0.570 120.678 119.950 0.264 0.000 2.664 187 F HA 0.306 4.837 4.527 0.007 0.000 0.301 187 F C 0.726 176.649 175.800 0.204 0.000 1.126 187 F CA 0.047 58.161 58.000 0.191 0.000 1.373 187 F CB -0.115 38.966 39.000 0.136 0.000 1.042 187 F HN 0.198 nan 8.300 nan 0.000 0.535 188 H N -0.912 118.291 119.070 0.220 0.000 2.988 188 H HA 0.462 5.021 4.556 0.007 0.000 0.284 188 H C -0.818 174.562 175.328 0.085 0.000 1.284 188 H CA -0.330 55.726 56.048 0.014 0.000 1.431 188 H CB 1.530 31.353 29.762 0.102 0.000 1.954 188 H HN 0.028 nan 8.280 nan 0.000 0.509 189 G N 1.774 110.598 108.800 0.041 0.000 3.714 189 G HA2 0.572 4.537 3.960 0.007 0.000 0.259 189 G HA3 0.572 4.537 3.960 0.007 0.000 0.259 189 G C -0.228 174.859 174.900 0.311 0.000 3.894 189 G CA 0.157 45.422 45.100 0.274 0.000 0.498 189 G HN 1.251 nan 8.290 nan 0.000 0.258 190 A N 1.723 124.827 122.820 0.473 0.000 1.613 190 A HA 0.050 4.374 4.320 0.007 0.000 0.217 190 A C 0.899 178.751 177.584 0.446 0.000 1.219 190 A CA 1.949 54.254 52.037 0.446 0.000 0.709 190 A CB -1.816 17.334 19.000 0.250 0.000 1.177 190 A HN 2.273 nan 8.150 nan 0.000 0.230 191 W N -0.237 121.125 121.300 0.103 0.000 0.450 191 W HA 0.400 5.064 4.660 0.006 0.000 0.132 191 W C -0.396 176.112 176.519 -0.018 0.000 0.590 191 W CA -0.236 57.127 57.345 0.031 0.000 0.265 191 W CB -0.108 29.366 29.460 0.022 0.000 0.665 191 W HN 0.870 nan 8.180 nan 0.000 0.322 192 R N 2.661 123.261 120.500 0.167 0.000 2.603 192 R HA 0.106 4.451 4.340 0.007 0.000 0.280 192 R C 1.333 177.585 176.300 -0.079 0.000 1.185 192 R CA -0.148 55.963 56.100 0.018 0.000 1.039 192 R CB 0.596 30.773 30.300 -0.205 0.000 1.247 192 R HN 0.164 nan 8.270 nan 0.000 0.413 193 Q N -0.030 119.752 119.800 -0.029 0.000 2.487 193 Q HA -0.257 4.087 4.340 0.007 0.000 0.219 193 Q C 0.271 176.189 176.000 -0.137 0.000 1.004 193 Q CA 2.094 57.862 55.803 -0.059 0.000 0.967 193 Q CB -0.733 27.976 28.738 -0.047 0.000 0.931 193 Q HN 0.738 nan 8.270 nan 0.000 0.454 194 T N -3.748 110.687 114.554 -0.197 0.000 2.910 194 T HA 0.633 4.987 4.350 0.007 0.000 0.287 194 T C -0.141 174.251 174.700 -0.514 0.000 1.050 194 T CA -0.979 60.942 62.100 -0.298 0.000 1.011 194 T CB 2.148 70.876 68.868 -0.234 0.000 1.195 194 T HN -0.056 nan 8.240 nan 0.000 0.540 195 V N 0.357 119.819 119.914 -0.752 0.000 2.644 195 V HA 0.786 4.910 4.120 0.007 0.000 0.295 195 V C 0.676 176.153 176.094 -1.029 0.000 1.053 195 V CA 0.705 62.206 62.300 -1.332 0.000 0.987 195 V CB 1.115 31.912 31.823 -1.710 0.000 1.006 195 V HN 1.411 nan 8.190 nan 0.000 0.472 196 G N 2.593 110.668 108.800 -1.208 0.000 2.489 196 G HA2 0.313 4.278 3.960 0.007 0.000 0.291 196 G HA3 0.313 4.278 3.960 0.007 0.000 0.291 196 G C -1.826 172.895 174.900 -0.298 0.000 1.487 196 G CA -0.646 43.969 45.100 -0.808 0.000 0.795 196 G HN 0.697 nan 8.290 nan 0.000 0.513 197 H N -0.105 118.957 119.070 -0.012 0.000 2.473 197 H HA 0.289 4.849 4.556 0.007 0.000 0.327 197 H C 1.307 176.750 175.328 0.192 0.000 1.105 197 H CA 0.190 56.376 56.048 0.230 0.000 1.280 197 H CB 1.453 31.368 29.762 0.254 0.000 1.450 197 H HN 0.815 nan 8.280 nan 0.000 0.492 198 H N 0.834 120.112 119.070 0.346 0.000 2.535 198 H HA 0.092 4.652 4.556 0.007 0.000 0.273 198 H C 0.381 176.011 175.328 0.503 0.000 0.983 198 H CA 0.537 56.827 56.048 0.403 0.000 1.238 198 H CB 0.464 30.403 29.762 0.294 0.000 1.412 198 H HN 0.284 nan 8.280 nan 0.000 0.562 199 S N 0.173 115.949 115.700 0.127 0.000 2.526 199 S HA 0.319 4.793 4.470 0.007 0.000 0.220 199 S C -2.966 171.636 174.600 0.004 0.000 1.159 199 S CA -1.342 56.950 58.200 0.153 0.000 1.196 199 S CB 0.666 63.858 63.200 -0.012 0.000 1.225 199 S HN 0.149 nan 8.310 nan 0.000 0.432 200 P HA 0.182 nan 4.420 nan 0.000 0.275 200 P C 0.746 177.897 177.300 -0.248 0.000 1.227 200 P CA -0.553 62.416 63.100 -0.219 0.000 0.781 200 P CB 1.441 33.025 31.700 -0.193 0.000 0.906 201 L N 3.306 124.324 121.223 -0.342 0.000 2.068 201 L HA 0.231 4.575 4.340 0.007 0.000 0.204 201 L C 0.391 176.791 176.870 -0.783 0.000 1.076 201 L CA 1.688 56.157 54.840 -0.618 0.000 0.753 201 L CB -0.652 40.955 42.059 -0.753 0.000 0.910 201 L HN 0.183 nan 8.230 nan 0.000 0.439 202 F N -0.501 119.327 119.950 -0.203 0.000 2.523 202 F HA 0.413 4.944 4.527 0.007 0.000 0.329 202 F C 1.645 177.343 175.800 -0.170 0.000 1.061 202 F CA -0.858 57.043 58.000 -0.165 0.000 0.967 202 F CB 0.924 39.856 39.000 -0.114 0.000 1.218 202 F HN -0.110 nan 8.300 nan 0.000 0.480 203 R N 1.449 122.005 120.500 0.093 0.000 2.113 203 R HA 0.062 4.406 4.340 0.007 0.000 0.244 203 R C 0.465 176.716 176.300 -0.082 0.000 1.142 203 R CA 0.983 57.056 56.100 -0.044 0.000 0.953 203 R CB -1.050 29.231 30.300 -0.031 0.000 0.860 203 R HN 0.953 nan 8.270 nan 0.000 0.438 204 G N 2.536 111.312 108.800 -0.040 0.000 2.929 204 G HA2 -0.225 3.739 3.960 0.007 0.000 0.335 204 G HA3 -0.225 3.739 3.960 0.007 0.000 0.335 204 G C 0.517 175.365 174.900 -0.087 0.000 1.054 204 G CA 0.170 45.225 45.100 -0.075 0.000 1.067 204 G HN 0.581 nan 8.290 nan 0.000 0.472 205 Q N 0.569 120.329 119.800 -0.067 0.000 2.366 205 Q HA -0.266 4.078 4.340 0.007 0.000 0.214 205 Q C 1.659 177.616 176.000 -0.072 0.000 0.994 205 Q CA 2.158 57.922 55.803 -0.066 0.000 0.909 205 Q CB -0.242 28.465 28.738 -0.052 0.000 0.918 205 Q HN 0.884 nan 8.270 nan 0.000 0.436 206 E N 1.818 121.972 120.200 -0.077 0.000 1.995 206 E HA -0.187 4.167 4.350 0.007 0.000 0.207 206 E C 0.645 177.187 176.600 -0.097 0.000 1.016 206 E CA 1.344 57.696 56.400 -0.080 0.000 0.865 206 E CB -0.203 29.441 29.700 -0.093 0.000 0.797 206 E HN 0.599 nan 8.360 nan 0.000 0.491 207 D N -1.313 119.011 120.400 -0.126 0.000 2.411 207 D HA 0.254 4.898 4.640 0.007 0.000 0.251 207 D C -0.115 176.098 176.300 -0.145 0.000 1.201 207 D CA 0.343 54.263 54.000 -0.134 0.000 0.996 207 D CB 1.300 42.009 40.800 -0.152 0.000 1.101 207 D HN 0.133 nan 8.370 nan 0.000 0.504 208 A N 0.296 123.023 122.820 -0.155 0.000 2.167 208 A HA 0.118 4.442 4.320 0.007 0.000 0.184 208 A C 1.740 179.183 177.584 -0.235 0.000 1.675 208 A CA 0.589 52.517 52.037 -0.182 0.000 1.215 208 A CB -0.677 18.238 19.000 -0.142 0.000 1.427 208 A HN 0.465 nan 8.150 nan 0.000 0.457 209 S N 0.061 115.640 115.700 -0.202 0.000 2.374 209 S HA -0.041 4.433 4.470 0.007 0.000 0.227 209 S C 1.172 175.589 174.600 -0.305 0.000 1.037 209 S CA 2.020 60.093 58.200 -0.211 0.000 1.024 209 S CB -0.174 62.940 63.200 -0.144 0.000 0.861 209 S HN 0.501 nan 8.310 nan 0.000 0.456 213 F N 1.684 121.279 119.950 -0.592 0.000 2.698 213 F HA 0.287 4.818 4.527 0.007 0.000 0.295 213 F C 1.089 176.617 175.800 -0.454 0.000 1.124 213 F CA 0.040 57.534 58.000 -0.844 0.000 1.426 213 F CB 0.430 39.003 39.000 -0.713 0.000 1.120 213 F HN -0.204 nan 8.300 nan 0.000 0.583 214 S N 1.623 117.163 115.700 -0.267 0.000 3.697 214 S HA 0.218 4.692 4.470 0.007 0.000 0.207 214 S C -0.285 173.605 174.600 -1.183 0.000 1.459 214 S CA -0.457 57.416 58.200 -0.546 0.000 1.122 214 S CB -1.453 61.679 63.200 -0.113 0.000 1.311 214 S HN 0.528 nan 8.310 nan 0.000 0.487 215 N N -1.321 116.610 118.700 -1.283 0.000 2.591 215 N HA 0.627 5.371 4.740 0.007 0.000 0.263 215 N C 0.502 175.653 175.510 -0.597 0.000 1.308 215 N CA -0.739 51.755 53.050 -0.925 0.000 0.837 215 N CB 0.597 38.842 38.487 -0.405 0.000 1.548 215 N HN -0.074 nan 8.380 nan 0.000 0.493 216 A N 0.485 123.149 122.820 -0.260 0.000 1.883 216 A HA -0.262 4.063 4.320 0.007 0.000 0.217 216 A C 1.683 179.217 177.584 -0.084 0.000 1.186 216 A CA 2.352 54.370 52.037 -0.032 0.000 0.624 216 A CB -1.280 17.649 19.000 -0.119 0.000 0.822 216 A HN 0.938 nan 8.150 nan 0.000 0.444 217 D N -2.065 118.176 120.400 -0.265 0.000 2.133 217 D HA -0.252 4.392 4.640 0.007 0.000 0.195 217 D C 1.727 178.091 176.300 0.107 0.000 0.997 217 D CA 1.899 55.851 54.000 -0.079 0.000 0.840 217 D CB -0.291 40.473 40.800 -0.061 0.000 0.947 217 D HN 0.554 nan 8.370 nan 0.000 0.452 218 Y N 0.500 120.800 120.300 0.000 0.000 2.163 218 Y HA -0.075 4.479 4.550 0.007 0.000 0.288 218 Y C 2.259 178.226 175.900 0.112 0.000 1.136 218 Y CA 1.852 59.990 58.100 0.064 0.000 1.147 218 Y CB -0.690 37.792 38.460 0.037 0.000 0.987 218 Y HN 0.056 nan 8.280 nan 0.000 0.509 219 A N -0.512 122.447 122.820 0.231 0.000 1.892 219 A HA -0.219 4.105 4.320 0.007 0.000 0.218 219 A C 2.329 179.989 177.584 0.127 0.000 1.188 219 A CA 2.330 54.507 52.037 0.235 0.000 0.631 219 A CB -1.415 17.790 19.000 0.341 0.000 0.822 219 A HN 0.352 nan 8.150 nan 0.000 0.447 220 V N -0.197 119.789 119.914 0.120 0.000 2.295 220 V HA -0.227 3.897 4.120 0.007 0.000 0.246 220 V C 2.803 178.925 176.094 0.047 0.000 1.049 220 V CA 2.380 64.745 62.300 0.108 0.000 1.024 220 V CB -0.881 31.060 31.823 0.196 0.000 0.648 220 V HN 0.579 nan 8.190 nan 0.000 0.447 221 S N -1.227 114.483 115.700 0.017 0.000 2.382 221 S HA -0.231 4.243 4.470 0.007 0.000 0.228 221 S C 1.885 176.443 174.600 -0.070 0.000 1.027 221 S CA 1.789 59.968 58.200 -0.035 0.000 0.991 221 S CB -0.465 62.698 63.200 -0.062 0.000 0.823 221 S HN 0.644 nan 8.310 nan 0.000 0.469 222 Y N 2.001 122.111 120.300 -0.317 0.000 2.200 222 Y HA -0.069 4.486 4.550 0.007 0.000 0.290 222 Y C 2.260 178.075 175.900 -0.142 0.000 1.137 222 Y CA 1.120 59.047 58.100 -0.288 0.000 1.163 222 Y CB -0.392 37.858 38.460 -0.350 0.000 0.988 222 Y HN 0.123 nan 8.280 nan 0.000 0.518 223 M N -0.457 119.088 119.600 -0.092 0.000 2.086 223 M HA -0.231 4.253 4.480 0.007 0.000 0.261 223 M C 2.327 178.542 176.300 -0.141 0.000 1.067 223 M CA 1.540 56.755 55.300 -0.142 0.000 1.116 223 M CB -1.399 31.169 32.600 -0.053 0.000 1.348 223 M HN 0.330 nan 8.290 nan 0.000 0.407 224 L N -0.911 120.261 121.223 -0.085 0.000 2.079 224 L HA -0.233 4.111 4.340 0.007 0.000 0.210 224 L C 2.779 179.590 176.870 -0.099 0.000 1.081 224 L CA 1.071 55.869 54.840 -0.070 0.000 0.752 224 L CB -0.706 41.331 42.059 -0.038 0.000 0.896 224 L HN 0.304 nan 8.230 nan 0.000 0.433 225 R N -0.057 120.362 120.500 -0.134 0.000 2.115 225 R HA -0.072 4.273 4.340 0.007 0.000 0.226 225 R C 1.944 178.125 176.300 -0.199 0.000 1.100 225 R CA 0.899 56.914 56.100 -0.142 0.000 0.980 225 R CB -0.277 29.949 30.300 -0.123 0.000 0.875 225 R HN 0.231 nan 8.270 nan 0.000 0.445 226 L N -0.524 120.520 121.223 -0.299 0.000 2.465 226 L HA 0.075 4.419 4.340 0.007 0.000 0.224 226 L C 1.296 178.065 176.870 -0.168 0.000 1.145 226 L CA 1.677 56.343 54.840 -0.289 0.000 0.834 226 L CB -0.360 41.465 42.059 -0.390 0.000 0.944 226 L HN 0.506 nan 8.230 nan 0.000 0.451 227 G N -2.063 106.658 108.800 -0.132 0.000 2.205 227 G HA2 -0.139 3.825 3.960 0.007 0.000 0.180 227 G HA3 -0.139 3.825 3.960 0.007 0.000 0.180 227 G C 0.517 175.372 174.900 -0.076 0.000 1.004 227 G CA -0.078 44.968 45.100 -0.091 0.000 0.670 227 G HN 0.610 nan 8.290 nan 0.000 0.496 228 A N 1.301 124.072 122.820 -0.080 0.000 2.404 228 A HA 0.667 4.991 4.320 0.007 0.000 0.273 228 A C -1.699 175.863 177.584 -0.037 0.000 1.144 228 A CA -0.782 51.221 52.037 -0.055 0.000 0.806 228 A CB 0.081 19.047 19.000 -0.055 0.000 1.080 228 A HN 0.144 nan 8.150 nan 0.000 0.509 229 P HA 0.200 nan 4.420 nan 0.000 0.268 229 P C 0.926 178.225 177.300 -0.001 0.000 1.205 229 P CA 0.405 63.496 63.100 -0.016 0.000 0.771 229 P CB 1.046 32.739 31.700 -0.013 0.000 0.858 230 A N 4.114 126.933 122.820 -0.001 0.000 1.908 230 A HA -0.244 4.080 4.320 0.007 0.000 0.218 230 A C 1.600 179.197 177.584 0.023 0.000 1.181 230 A CA 2.208 54.251 52.037 0.010 0.000 0.627 230 A CB -1.629 17.373 19.000 0.004 0.000 0.818 230 A HN 0.766 nan 8.150 nan 0.000 0.445 231 N N -1.286 117.422 118.700 0.013 0.000 2.627 231 N HA -0.043 4.701 4.740 0.007 0.000 0.196 231 N C 0.856 176.388 175.510 0.036 0.000 1.268 231 N CA 1.154 54.212 53.050 0.014 0.000 0.904 231 N CB -0.072 38.414 38.487 -0.003 0.000 1.016 231 N HN 0.526 nan 8.380 nan 0.000 0.448 232 K N -0.658 119.773 120.400 0.051 0.000 2.481 232 K HA 0.253 4.577 4.320 0.007 0.000 0.210 232 K C -0.302 176.367 176.600 0.115 0.000 1.161 232 K CA -0.252 56.090 56.287 0.092 0.000 1.023 232 K CB 0.804 33.347 32.500 0.072 0.000 0.971 232 K HN 0.163 nan 8.250 nan 0.000 0.577 233 L N 2.200 123.472 121.223 0.082 0.000 2.326 233 L HA 0.291 4.635 4.340 0.007 0.000 0.278 233 L C -0.637 176.294 176.870 0.101 0.000 1.092 233 L CA -0.580 54.313 54.840 0.089 0.000 0.810 233 L CB 1.499 43.596 42.059 0.063 0.000 1.153 233 L HN -0.223 nan 8.230 nan 0.000 0.439 234 V N 5.150 125.140 119.914 0.126 0.000 2.483 234 V HA 0.316 4.441 4.120 0.007 0.000 0.297 234 V C -0.028 176.152 176.094 0.144 0.000 1.027 234 V CA -0.462 61.910 62.300 0.121 0.000 0.855 234 V CB 1.870 33.767 31.823 0.124 0.000 0.995 234 V HN 0.743 nan 8.190 nan 0.000 0.424 235 M N 3.741 123.425 119.600 0.140 0.000 2.146 235 M HA 0.565 5.049 4.480 0.007 0.000 0.357 235 M C 0.684 177.101 176.300 0.194 0.000 1.261 235 M CA -0.135 55.260 55.300 0.157 0.000 1.106 235 M CB 0.830 33.526 32.600 0.159 0.000 1.612 235 M HN 0.821 nan 8.290 nan 0.000 0.470 236 G N 5.991 114.926 108.800 0.225 0.000 2.380 236 G HA2 0.503 4.467 3.960 0.007 0.000 0.262 236 G HA3 0.503 4.467 3.960 0.007 0.000 0.262 236 G C -0.775 174.367 174.900 0.403 0.000 1.243 236 G CA -0.538 44.785 45.100 0.372 0.000 0.865 236 G HN 0.790 nan 8.290 nan 0.000 0.513 237 I N 4.599 125.393 120.570 0.373 0.000 2.418 237 I HA 0.299 4.473 4.170 0.007 0.000 0.287 237 I C -2.086 174.119 176.117 0.147 0.000 1.008 237 I CA -2.294 59.143 61.300 0.229 0.000 1.104 237 I CB 3.158 41.238 38.000 0.134 0.000 1.264 237 I HN 0.341 nan 8.210 nan 0.000 0.438 238 P HA 0.162 nan 4.420 nan 0.000 0.282 238 P C -0.084 177.115 177.300 -0.168 0.000 1.249 238 P CA -0.223 62.689 63.100 -0.313 0.000 0.806 238 P CB 1.930 33.183 31.700 -0.745 0.000 0.984 239 T N 1.427 115.958 114.554 -0.038 0.000 3.085 239 T HA 0.306 4.660 4.350 0.007 0.000 0.264 239 T C 0.132 174.928 174.700 0.159 0.000 1.019 239 T CA -0.146 61.987 62.100 0.055 0.000 0.910 239 T CB -0.586 68.358 68.868 0.128 0.000 1.059 239 T HN 0.421 nan 8.240 nan 0.000 0.542 240 F N -0.853 119.153 119.950 0.093 0.000 2.712 240 F HA 0.919 5.449 4.527 0.006 0.000 0.367 240 F C 0.203 176.072 175.800 0.116 0.000 1.132 240 F CA -1.529 56.511 58.000 0.067 0.000 1.066 240 F CB 0.603 39.612 39.000 0.015 0.000 1.416 240 F HN -0.117 nan 8.300 nan 0.000 0.515 241 G N 0.021 108.956 108.800 0.226 0.000 2.642 241 G HA2 0.597 4.561 3.960 0.007 0.000 0.293 241 G HA3 0.597 4.561 3.960 0.007 0.000 0.293 241 G C -2.109 172.792 174.900 0.002 0.000 1.341 241 G CA -1.268 43.890 45.100 0.098 0.000 0.916 241 G HN 0.629 nan 8.290 nan 0.000 0.474 242 K N 0.419 120.710 120.400 -0.181 0.000 2.292 242 K HA 0.560 4.885 4.320 0.007 0.000 0.257 242 K C -0.317 176.113 176.600 -0.284 0.000 0.940 242 K CA -0.519 55.596 56.287 -0.287 0.000 0.811 242 K CB 1.909 34.156 32.500 -0.421 0.000 1.120 242 K HN 0.633 nan 8.250 nan 0.000 0.428 243 S N 2.206 117.675 115.700 -0.386 0.000 2.537 243 S HA 0.708 5.182 4.470 0.007 0.000 0.301 243 S C -0.651 173.670 174.600 -0.464 0.000 1.092 243 S CA -0.715 57.316 58.200 -0.282 0.000 1.048 243 S CB 0.629 63.711 63.200 -0.196 0.000 1.053 243 S HN 0.362 nan 8.310 nan 0.000 0.501 244 F N -0.222 119.843 119.950 0.191 0.000 2.599 244 F HA 0.502 5.033 4.527 0.006 0.000 0.311 244 F C 0.242 176.141 175.800 0.166 0.000 1.076 244 F CA -0.802 57.296 58.000 0.163 0.000 0.937 244 F CB 2.414 41.499 39.000 0.142 0.000 1.282 244 F HN 0.487 nan 8.300 nan 0.000 0.460 245 T N 3.709 118.456 114.554 0.321 0.000 2.753 245 T HA 0.466 4.820 4.350 0.007 0.000 0.297 245 T C -0.050 174.762 174.700 0.186 0.000 0.981 245 T CA -0.524 61.708 62.100 0.219 0.000 0.956 245 T CB 0.197 69.155 68.868 0.149 0.000 0.936 245 T HN 0.296 nan 8.240 nan 0.000 0.463 246 L N 2.347 123.677 121.223 0.178 0.000 2.485 246 L HA 0.239 4.583 4.340 0.007 0.000 0.275 246 L C 1.544 178.455 176.870 0.070 0.000 1.207 246 L CA -0.391 54.511 54.840 0.104 0.000 0.855 246 L CB 0.369 42.506 42.059 0.129 0.000 1.114 246 L HN 0.747 nan 8.230 nan 0.000 0.485 247 A N 1.916 124.754 122.820 0.029 0.000 2.195 247 A HA 0.157 4.481 4.320 0.007 0.000 0.210 247 A C 0.882 178.480 177.584 0.023 0.000 1.165 247 A CA 0.821 52.873 52.037 0.025 0.000 0.806 247 A CB -0.020 18.983 19.000 0.006 0.000 0.847 247 A HN 0.768 nan 8.150 nan 0.000 0.482 248 S N -2.023 113.691 115.700 0.024 0.000 2.752 248 S HA 0.365 4.839 4.470 0.007 0.000 0.284 248 S C 0.619 175.246 174.600 0.045 0.000 1.189 248 S CA 0.446 58.663 58.200 0.027 0.000 0.835 248 S CB 0.578 63.785 63.200 0.011 0.000 1.192 248 S HN 0.662 nan 8.310 nan 0.000 0.506 249 S N -0.555 115.172 115.700 0.045 0.000 2.603 249 S HA 0.179 4.654 4.470 0.007 0.000 0.220 249 S C 0.417 175.058 174.600 0.067 0.000 0.967 249 S CA -0.027 58.209 58.200 0.061 0.000 0.920 249 S CB -0.662 62.568 63.200 0.051 0.000 0.773 249 S HN 0.707 nan 8.310 nan 0.000 0.529 250 K N 0.984 121.412 120.400 0.046 0.000 2.276 250 K HA 0.308 4.632 4.320 0.007 0.000 0.283 250 K C 0.095 176.732 176.600 0.063 0.000 1.044 250 K CA 0.067 56.377 56.287 0.040 0.000 0.944 250 K CB 0.635 33.135 32.500 0.000 0.000 1.012 250 K HN 0.071 nan 8.250 nan 0.000 0.472 251 T N 1.885 116.507 114.554 0.113 0.000 2.955 251 T HA -0.024 4.330 4.350 0.007 0.000 0.251 251 T C -0.027 174.806 174.700 0.222 0.000 1.002 251 T CA -0.174 62.068 62.100 0.236 0.000 0.970 251 T CB -0.011 69.073 68.868 0.360 0.000 1.091 251 T HN 0.798 nan 8.240 nan 0.000 0.495 252 D N 1.892 122.359 120.400 0.111 0.000 2.346 252 D HA 0.066 4.711 4.640 0.007 0.000 0.249 252 D C 0.280 176.588 176.300 0.013 0.000 1.308 252 D CA -0.305 53.753 54.000 0.096 0.000 0.987 252 D CB 0.401 41.237 40.800 0.060 0.000 1.114 252 D HN -0.025 nan 8.370 nan 0.000 0.529 253 V N -0.322 119.626 119.914 0.055 0.000 2.644 253 V HA 0.312 4.436 4.120 0.007 0.000 0.305 253 V C 1.786 177.815 176.094 -0.108 0.000 1.053 253 V CA 1.105 63.396 62.300 -0.015 0.000 1.186 253 V CB -0.225 31.615 31.823 0.029 0.000 0.895 253 V HN 1.030 nan 8.190 nan 0.000 0.490 254 G N 3.051 111.734 108.800 -0.195 0.000 2.176 254 G HA2 -0.098 3.866 3.960 0.007 0.000 0.253 254 G HA3 -0.098 3.866 3.960 0.007 0.000 0.253 254 G C 0.441 175.220 174.900 -0.201 0.000 0.979 254 G CA 0.169 45.158 45.100 -0.186 0.000 0.641 254 G HN 1.722 nan 8.290 nan 0.000 0.530 255 A N 0.813 123.483 122.820 -0.251 0.000 2.540 255 A HA 0.555 4.879 4.320 0.007 0.000 0.239 255 A C -1.239 176.193 177.584 -0.253 0.000 1.061 255 A CA -0.018 51.883 52.037 -0.227 0.000 0.758 255 A CB 0.096 18.940 19.000 -0.260 0.000 0.991 255 A HN 0.237 nan 8.150 nan 0.000 0.502 256 P HA 0.322 nan 4.420 nan 0.000 0.269 256 P C -0.741 176.475 177.300 -0.140 0.000 1.209 256 P CA -0.048 62.973 63.100 -0.132 0.000 0.776 256 P CB 0.790 32.447 31.700 -0.071 0.000 0.876 257 V N 1.420 121.264 119.914 -0.117 0.000 2.876 257 V HA 0.353 4.478 4.120 0.007 0.000 0.312 257 V C 0.834 176.936 176.094 0.014 0.000 1.085 257 V CA -0.130 62.132 62.300 -0.065 0.000 0.945 257 V CB 1.984 33.730 31.823 -0.129 0.000 1.017 257 V HN 0.640 nan 8.190 nan 0.000 0.428 258 S N 0.874 116.612 115.700 0.063 0.000 2.603 258 S HA 0.636 5.110 4.470 0.007 0.000 0.232 258 S C 0.430 175.088 174.600 0.096 0.000 1.016 258 S CA 0.416 58.656 58.200 0.068 0.000 0.976 258 S CB 0.600 63.836 63.200 0.059 0.000 0.921 258 S HN 1.833 nan 8.310 nan 0.000 0.516 259 G N 1.437 110.324 108.800 0.145 0.000 2.337 259 G HA2 0.339 4.304 3.960 0.007 0.000 0.298 259 G HA3 0.339 4.304 3.960 0.007 0.000 0.298 259 G C -3.538 171.480 174.900 0.196 0.000 1.335 259 G CA -0.630 44.564 45.100 0.156 0.000 0.875 259 G HN 0.095 nan 8.290 nan 0.000 0.579 260 P HA 0.380 nan 4.420 nan 0.000 0.271 260 P C 0.836 178.153 177.300 0.028 0.000 1.233 260 P CA 0.569 63.679 63.100 0.017 0.000 0.789 260 P CB 0.604 32.284 31.700 -0.033 0.000 0.951 261 G N 0.817 109.596 108.800 -0.035 0.000 2.634 261 G HA2 0.424 4.388 3.960 0.007 0.000 0.255 261 G HA3 0.424 4.388 3.960 0.007 0.000 0.255 261 G C 0.372 175.274 174.900 0.003 0.000 1.205 261 G CA -0.868 44.242 45.100 0.016 0.000 0.884 261 G HN 0.631 nan 8.290 nan 0.000 0.549 262 I N -1.222 119.366 120.570 0.031 0.000 2.779 262 I HA 0.350 4.524 4.170 0.007 0.000 0.285 262 I C -2.229 173.888 176.117 0.001 0.000 1.134 262 I CA -1.741 59.573 61.300 0.024 0.000 1.398 262 I CB 0.499 38.527 38.000 0.046 0.000 1.404 262 I HN 0.143 nan 8.210 nan 0.000 0.587 263 P HA 0.129 nan 4.420 nan 0.000 0.268 263 P C 0.008 177.306 177.300 -0.004 0.000 1.208 263 P CA -0.065 63.030 63.100 -0.009 0.000 0.777 263 P CB 0.390 32.089 31.700 -0.002 0.000 0.875 264 G N 0.538 109.336 108.800 -0.004 0.000 2.476 264 G HA2 0.063 4.027 3.960 0.007 0.000 0.286 264 G HA3 0.063 4.027 3.960 0.007 0.000 0.286 264 G C 0.628 175.528 174.900 -0.000 0.000 1.177 264 G CA -0.363 44.745 45.100 0.013 0.000 0.870 264 G HN 0.554 nan 8.290 nan 0.000 0.528 265 Q N 0.321 120.086 119.800 -0.058 0.000 2.152 265 Q HA -0.157 4.187 4.340 0.007 0.000 0.206 265 Q C 1.451 177.248 176.000 -0.340 0.000 0.985 265 Q CA 1.829 57.465 55.803 -0.278 0.000 0.863 265 Q CB -0.096 28.331 28.738 -0.518 0.000 0.904 265 Q HN 0.690 nan 8.270 nan 0.000 0.422 266 F N -1.395 118.625 119.950 0.115 0.000 2.500 266 F HA 0.053 4.585 4.527 0.008 0.000 0.285 266 F C 2.522 178.401 175.800 0.131 0.000 1.088 266 F CA 0.941 59.035 58.000 0.156 0.000 1.432 266 F CB -0.232 38.927 39.000 0.265 0.000 1.131 266 F HN 0.083 nan 8.300 nan 0.000 0.582 267 T N -2.442 112.264 114.554 0.254 0.000 3.067 267 T HA 0.005 4.359 4.350 0.007 0.000 0.261 267 T C 0.937 175.703 174.700 0.110 0.000 1.110 267 T CA 0.082 62.276 62.100 0.156 0.000 1.113 267 T CB -0.510 68.390 68.868 0.054 0.000 0.917 267 T HN 0.139 nan 8.240 nan 0.000 0.499 268 K N 1.410 121.857 120.400 0.079 0.000 3.100 268 K HA -0.207 4.117 4.320 0.007 0.000 0.261 268 K C -0.187 176.428 176.600 0.026 0.000 0.920 268 K CA 0.725 57.040 56.287 0.046 0.000 0.683 268 K CB -1.265 31.270 32.500 0.058 0.000 1.349 268 K HN 0.716 nan 8.250 nan 0.000 0.473 269 E N 1.185 121.388 120.200 0.004 0.000 2.241 269 E HA 0.167 4.521 4.350 0.007 0.000 0.263 269 E C -0.927 175.644 176.600 -0.048 0.000 0.882 269 E CA -0.822 55.563 56.400 -0.025 0.000 0.769 269 E CB 1.020 30.698 29.700 -0.037 0.000 1.185 269 E HN 0.048 nan 8.360 nan 0.000 0.415 270 K N 1.805 122.178 120.400 -0.045 0.000 2.489 270 K HA 0.146 4.470 4.320 0.007 0.000 0.278 270 K C 0.862 177.409 176.600 -0.088 0.000 1.000 270 K CA 1.105 57.361 56.287 -0.051 0.000 1.012 270 K CB 0.453 32.934 32.500 -0.030 0.000 0.903 270 K HN 0.870 nan 8.250 nan 0.000 0.485 271 G N 1.966 110.697 108.800 -0.114 0.000 2.179 271 G HA2 -0.223 3.741 3.960 0.007 0.000 0.260 271 G HA3 -0.223 3.741 3.960 0.007 0.000 0.260 271 G C 0.090 174.868 174.900 -0.204 0.000 0.977 271 G CA -0.125 44.859 45.100 -0.193 0.000 0.641 271 G HN 0.481 nan 8.290 nan 0.000 0.533 272 I N 0.230 120.710 120.570 -0.150 0.000 2.828 272 I HA 0.702 4.876 4.170 0.007 0.000 0.302 272 I C -0.049 176.007 176.117 -0.101 0.000 1.101 272 I CA -0.925 60.300 61.300 -0.124 0.000 1.031 272 I CB 1.922 39.826 38.000 -0.159 0.000 1.231 272 I HN -0.002 nan 8.210 nan 0.000 0.427 273 L N 2.943 124.124 121.223 -0.070 0.000 2.493 273 L HA 0.580 4.924 4.340 0.007 0.000 0.265 273 L C -0.006 176.811 176.870 -0.088 0.000 0.954 273 L CA -0.650 54.122 54.840 -0.114 0.000 0.844 273 L CB 2.181 44.127 42.059 -0.187 0.000 1.302 273 L HN 0.732 nan 8.230 nan 0.000 0.405 274 A N 1.203 123.877 122.820 -0.243 0.000 2.346 274 A HA 0.155 4.479 4.320 0.007 0.000 0.252 274 A C 0.427 177.853 177.584 -0.264 0.000 1.089 274 A CA 0.149 51.988 52.037 -0.330 0.000 0.797 274 A CB 0.133 18.573 19.000 -0.933 0.000 1.047 274 A HN 0.768 nan 8.150 nan 0.000 0.494 275 Y N 1.179 121.357 120.300 -0.204 0.000 2.207 275 Y HA -0.313 4.241 4.550 0.007 0.000 0.287 275 Y C 2.008 177.833 175.900 -0.125 0.000 1.156 275 Y CA 2.768 60.812 58.100 -0.093 0.000 1.182 275 Y CB -0.688 37.791 38.460 0.033 0.000 0.979 275 Y HN 0.812 nan 8.280 nan 0.000 0.521 276 Y N -0.967 119.211 120.300 -0.204 0.000 2.352 276 Y HA -0.026 4.528 4.550 0.007 0.000 0.292 276 Y C 1.787 177.427 175.900 -0.433 0.000 1.136 276 Y CA 1.188 59.013 58.100 -0.458 0.000 1.227 276 Y CB -1.173 36.831 38.460 -0.760 0.000 0.991 276 Y HN 0.175 nan 8.280 nan 0.000 0.545 277 E N 0.598 120.554 120.200 -0.405 0.000 2.230 277 E HA -0.004 4.350 4.350 0.007 0.000 0.192 277 E C 2.002 178.544 176.600 -0.096 0.000 0.987 277 E CA 0.855 57.177 56.400 -0.130 0.000 0.841 277 E CB -0.094 29.524 29.700 -0.138 0.000 0.783 277 E HN 0.552 nan 8.360 nan 0.000 0.481 278 I N 0.575 121.004 120.570 -0.235 0.000 2.353 278 I HA -0.274 3.900 4.170 0.007 0.000 0.248 278 I C 2.188 178.174 176.117 -0.218 0.000 1.119 278 I CA 0.485 61.627 61.300 -0.263 0.000 1.417 278 I CB -0.136 37.624 38.000 -0.400 0.000 1.078 278 I HN 0.231 nan 8.210 nan 0.000 0.421 279 c N 0.486 118.886 118.600 -0.333 0.000 2.411 279 c HA -0.206 4.368 4.570 0.007 0.000 0.279 279 c C 2.505 176.566 174.090 -0.048 0.000 1.288 279 c CA 1.376 57.562 56.329 -0.238 0.000 1.764 279 c CB -0.997 41.359 42.510 -0.257 0.000 1.974 279 c HN 0.557 nan 8.230 nan 0.000 0.498 280 D N -0.497 119.928 120.400 0.041 0.000 2.137 280 D HA -0.107 4.537 4.640 0.007 0.000 0.202 280 D C 1.830 178.173 176.300 0.072 0.000 0.970 280 D CA 0.707 54.768 54.000 0.101 0.000 0.837 280 D CB -0.363 40.561 40.800 0.208 0.000 0.981 280 D HN 0.450 nan 8.370 nan 0.000 0.475 281 F N 0.418 120.324 119.950 -0.073 0.000 2.161 281 F HA -0.154 4.377 4.527 0.006 0.000 0.300 281 F C 1.747 177.483 175.800 -0.107 0.000 1.089 281 F CA 0.865 58.812 58.000 -0.088 0.000 1.282 281 F CB -0.101 38.822 39.000 -0.128 0.000 1.010 281 F HN -0.010 nan 8.300 nan 0.000 0.485 282 L N 0.445 121.661 121.223 -0.010 0.000 2.127 282 L HA -0.183 4.161 4.340 0.007 0.000 0.211 282 L C 1.108 177.884 176.870 -0.157 0.000 1.089 282 L CA 1.200 55.982 54.840 -0.096 0.000 0.757 282 L CB -1.281 40.742 42.059 -0.060 0.000 0.899 282 L HN 0.191 nan 8.230 nan 0.000 0.434 283 Q N 0.470 120.194 119.800 -0.128 0.000 2.244 283 Q HA 0.273 4.617 4.340 0.007 0.000 0.276 283 Q C 1.196 177.097 176.000 -0.164 0.000 1.122 283 Q CA 0.861 56.596 55.803 -0.113 0.000 0.920 283 Q CB -0.350 28.343 28.738 -0.075 0.000 1.186 283 Q HN 0.478 nan 8.270 nan 0.000 0.393 284 G N 1.472 110.183 108.800 -0.148 0.000 2.175 284 G HA2 -0.223 3.741 3.960 0.007 0.000 0.244 284 G HA3 -0.223 3.741 3.960 0.007 0.000 0.244 284 G C 0.225 175.006 174.900 -0.198 0.000 0.982 284 G CA -0.079 44.928 45.100 -0.154 0.000 0.641 284 G HN 0.907 nan 8.290 nan 0.000 0.527 285 A N -0.237 122.438 122.820 -0.242 0.000 2.282 285 A HA 0.837 5.161 4.320 0.007 0.000 0.319 285 A C 0.379 177.861 177.584 -0.170 0.000 1.121 285 A CA 0.526 52.413 52.037 -0.251 0.000 0.836 285 A CB 0.905 19.696 19.000 -0.349 0.000 1.146 285 A HN 0.673 nan 8.150 nan 0.000 0.494 286 T N 1.991 116.454 114.554 -0.152 0.000 2.744 286 T HA 0.511 4.865 4.350 0.007 0.000 0.291 286 T C 0.346 174.801 174.700 -0.410 0.000 0.957 286 T CA 0.004 61.962 62.100 -0.238 0.000 1.002 286 T CB 0.537 69.321 68.868 -0.141 0.000 0.919 286 T HN 0.849 nan 8.240 nan 0.000 0.468 287 T N 1.674 115.935 114.554 -0.488 0.000 2.875 287 T HA 0.609 4.963 4.350 0.007 0.000 0.284 287 T C -0.652 173.542 174.700 -0.844 0.000 0.995 287 T CA -0.862 60.947 62.100 -0.485 0.000 1.060 287 T CB 1.025 69.765 68.868 -0.213 0.000 0.967 287 T HN 0.583 nan 8.240 nan 0.000 0.476 288 H N 0.829 119.585 119.070 -0.524 0.000 2.977 288 H HA 0.664 5.224 4.556 0.006 0.000 0.350 288 H C -0.739 174.246 175.328 -0.572 0.000 1.238 288 H CA -0.900 54.755 56.048 -0.656 0.000 1.124 288 H CB 2.338 31.374 29.762 -1.210 0.000 1.866 288 H HN 0.700 nan 8.280 nan 0.000 0.550 289 R N 1.225 121.605 120.500 -0.200 0.000 2.522 289 R HA 0.275 4.620 4.340 0.007 0.000 0.283 289 R C -1.471 174.840 176.300 0.019 0.000 1.074 289 R CA -0.639 55.397 56.100 -0.106 0.000 0.925 289 R CB 1.099 31.369 30.300 -0.051 0.000 1.205 289 R HN 0.219 nan 8.270 nan 0.000 0.436 290 F N 4.464 124.531 119.950 0.196 0.000 2.494 290 F HA 0.183 4.714 4.527 0.007 0.000 0.369 290 F C 1.877 177.717 175.800 0.066 0.000 1.098 290 F CA -0.218 57.869 58.000 0.145 0.000 1.154 290 F CB 0.802 39.865 39.000 0.105 0.000 1.103 290 F HN 0.595 nan 8.300 nan 0.000 0.549 291 R N 1.910 122.558 120.500 0.246 0.000 2.080 291 R HA -0.160 4.184 4.340 0.007 0.000 0.236 291 R C 1.514 177.886 176.300 0.119 0.000 1.137 291 R CA 2.108 58.292 56.100 0.140 0.000 0.943 291 R CB -0.089 30.272 30.300 0.102 0.000 0.846 291 R HN 0.596 nan 8.270 nan 0.000 0.431 292 D N 0.174 120.640 120.400 0.110 0.000 2.097 292 D HA -0.157 4.487 4.640 0.007 0.000 0.197 292 D C 1.924 178.291 176.300 0.110 0.000 0.984 292 D CA 1.359 55.397 54.000 0.063 0.000 0.826 292 D CB -0.153 40.655 40.800 0.013 0.000 0.973 292 D HN 0.493 nan 8.370 nan 0.000 0.460 293 Q N 0.022 119.872 119.800 0.083 0.000 2.378 293 Q HA -0.001 4.343 4.340 0.007 0.000 0.205 293 Q C 0.114 176.136 176.000 0.037 0.000 0.954 293 Q CA 0.144 55.964 55.803 0.029 0.000 0.901 293 Q CB 0.153 28.823 28.738 -0.114 0.000 0.981 293 Q HN 0.291 nan 8.270 nan 0.000 0.483 294 Q N -0.456 119.404 119.800 0.100 0.000 2.487 294 Q HA -0.141 4.203 4.340 0.007 0.000 0.279 294 Q C -0.985 174.990 176.000 -0.042 0.000 1.228 294 Q CA 0.509 56.347 55.803 0.058 0.000 0.873 294 Q CB -2.036 26.761 28.738 0.098 0.000 1.260 294 Q HN 0.319 nan 8.270 nan 0.000 0.471 295 V N -3.968 115.912 119.914 -0.057 0.000 3.007 295 V HA 0.898 5.022 4.120 0.007 0.000 0.311 295 V C -2.576 173.477 176.094 -0.069 0.000 1.120 295 V CA -2.167 60.013 62.300 -0.201 0.000 0.980 295 V CB 2.400 33.804 31.823 -0.698 0.000 1.033 295 V HN -0.042 nan 8.190 nan 0.000 0.429 296 P HA 0.648 nan 4.420 nan 0.000 0.286 296 P C -1.947 175.292 177.300 -0.102 0.000 1.292 296 P CA -0.411 62.557 63.100 -0.220 0.000 0.842 296 P CB 1.860 33.295 31.700 -0.441 0.000 1.207 297 Y N -2.918 117.244 120.300 -0.230 0.000 2.638 297 Y HA 0.826 5.379 4.550 0.006 0.000 0.335 297 Y C -2.002 173.853 175.900 -0.075 0.000 1.155 297 Y CA -1.473 56.490 58.100 -0.228 0.000 1.046 297 Y CB 0.612 38.679 38.460 -0.655 0.000 1.303 297 Y HN 0.682 nan 8.280 nan 0.000 0.460 298 A N 0.843 123.622 122.820 -0.068 0.000 2.587 298 A HA 0.912 5.237 4.320 0.007 0.000 0.293 298 A C -1.340 176.270 177.584 0.044 0.000 1.087 298 A CA -0.593 51.424 52.037 -0.032 0.000 0.692 298 A CB 1.648 20.729 19.000 0.135 0.000 1.291 298 A HN 0.973 nan 8.150 nan 0.000 0.407 299 T N 0.663 115.297 114.554 0.133 0.000 2.903 299 T HA 0.739 5.093 4.350 0.007 0.000 0.299 299 T C -0.889 173.895 174.700 0.141 0.000 1.093 299 T CA -0.761 61.488 62.100 0.247 0.000 1.002 299 T CB 1.861 70.924 68.868 0.324 0.000 1.127 299 T HN 0.759 nan 8.240 nan 0.000 0.488 300 K N 0.936 121.433 120.400 0.162 0.000 2.571 300 K HA 0.504 4.828 4.320 0.007 0.000 0.252 300 K C 0.658 177.306 176.600 0.080 0.000 0.956 300 K CA 0.130 56.403 56.287 -0.024 0.000 0.822 300 K CB 1.307 33.579 32.500 -0.380 0.000 1.286 300 K HN 0.964 nan 8.250 nan 0.000 0.439 301 G N 3.757 112.591 108.800 0.057 0.000 2.651 301 G HA2 -0.408 3.556 3.960 0.007 0.000 0.315 301 G HA3 -0.408 3.556 3.960 0.007 0.000 0.315 301 G C 0.100 175.080 174.900 0.135 0.000 1.258 301 G CA 0.784 45.933 45.100 0.081 0.000 1.002 301 G HN 0.891 nan 8.290 nan 0.000 0.551 302 N N 1.091 119.879 118.700 0.146 0.000 2.320 302 N HA 0.196 4.941 4.740 0.007 0.000 0.237 302 N C 0.027 175.677 175.510 0.233 0.000 1.129 302 N CA 0.285 53.437 53.050 0.171 0.000 0.854 302 N CB 0.582 39.146 38.487 0.128 0.000 1.083 302 N HN 0.570 nan 8.380 nan 0.000 0.504 303 Q N 0.311 120.286 119.800 0.292 0.000 2.316 303 Q HA 0.266 4.610 4.340 0.007 0.000 0.264 303 Q C -1.530 174.758 176.000 0.479 0.000 0.987 303 Q CA -0.282 55.739 55.803 0.364 0.000 0.852 303 Q CB 1.960 30.937 28.738 0.397 0.000 1.287 303 Q HN 0.437 nan 8.270 nan 0.000 0.448 304 W N 3.279 124.735 121.300 0.261 0.000 2.538 304 W HA 0.549 5.212 4.660 0.005 0.000 0.322 304 W C -1.293 175.375 176.519 0.248 0.000 1.028 304 W CA -0.527 56.997 57.345 0.299 0.000 1.228 304 W CB 1.189 30.820 29.460 0.284 0.000 1.356 304 W HN 0.276 nan 8.180 nan 0.000 0.452 305 V N 5.604 125.438 119.914 -0.132 0.000 2.487 305 V HA 0.730 4.854 4.120 0.007 0.000 0.298 305 V C -0.029 175.937 176.094 -0.214 0.000 1.028 305 V CA -1.030 61.169 62.300 -0.168 0.000 0.860 305 V CB 1.157 32.720 31.823 -0.434 0.000 0.991 305 V HN 0.656 nan 8.190 nan 0.000 0.427 306 A N 5.532 128.350 122.820 -0.004 0.000 2.260 306 A HA 0.896 5.220 4.320 0.007 0.000 0.314 306 A C -0.838 176.815 177.584 0.115 0.000 1.257 306 A CA -0.336 51.652 52.037 -0.082 0.000 0.871 306 A CB 0.410 19.387 19.000 -0.038 0.000 1.166 306 A HN 1.158 nan 8.150 nan 0.000 0.522 307 Y N -0.275 120.021 120.300 -0.006 0.000 2.829 307 Y HA 0.747 5.301 4.550 0.007 0.000 0.322 307 Y C -1.205 174.820 175.900 0.208 0.000 1.357 307 Y CA -1.755 56.418 58.100 0.122 0.000 1.081 307 Y CB 0.843 39.358 38.460 0.092 0.000 1.339 307 Y HN 0.441 nan 8.280 nan 0.000 0.469 308 D N 1.227 121.696 120.400 0.114 0.000 2.498 308 D HA 0.293 4.937 4.640 0.007 0.000 0.247 308 D C -1.448 174.878 176.300 0.043 0.000 1.070 308 D CA -0.226 53.748 54.000 -0.042 0.000 0.842 308 D CB 2.297 43.072 40.800 -0.041 0.000 1.361 308 D HN 0.705 nan 8.370 nan 0.000 0.484 309 D N -0.161 120.220 120.400 -0.031 0.000 2.621 309 D HA 0.097 4.741 4.640 0.007 0.000 0.255 309 D C 1.012 177.297 176.300 -0.024 0.000 1.122 309 D CA -0.449 53.595 54.000 0.074 0.000 1.096 309 D CB 0.751 41.686 40.800 0.224 0.000 1.282 309 D HN 0.129 nan 8.370 nan 0.000 0.619 310 Q N -0.576 119.233 119.800 0.015 0.000 2.112 310 Q HA -0.259 4.085 4.340 0.007 0.000 0.206 310 Q C 1.690 177.692 176.000 0.004 0.000 0.987 310 Q CA 2.236 58.042 55.803 0.004 0.000 0.858 310 Q CB -0.143 28.623 28.738 0.047 0.000 0.905 310 Q HN 0.743 nan 8.270 nan 0.000 0.420 311 E N 0.786 120.994 120.200 0.013 0.000 2.072 311 E HA -0.170 4.184 4.350 0.007 0.000 0.191 311 E C 2.044 178.637 176.600 -0.012 0.000 0.985 311 E CA 1.723 58.127 56.400 0.006 0.000 0.801 311 E CB -0.121 29.586 29.700 0.011 0.000 0.750 311 E HN 0.281 nan 8.360 nan 0.000 0.452 312 S N -0.084 115.594 115.700 -0.037 0.000 2.383 312 S HA -0.111 4.363 4.470 0.007 0.000 0.227 312 S C 2.170 176.741 174.600 -0.049 0.000 1.026 312 S CA 1.079 59.244 58.200 -0.058 0.000 0.981 312 S CB -0.565 62.573 63.200 -0.104 0.000 0.818 312 S HN 0.174 nan 8.310 nan 0.000 0.472 313 V N 2.181 122.068 119.914 -0.044 0.000 2.427 313 V HA -0.104 4.020 4.120 0.007 0.000 0.248 313 V C 2.656 178.743 176.094 -0.013 0.000 1.051 313 V CA 1.869 64.150 62.300 -0.032 0.000 1.048 313 V CB -0.582 31.213 31.823 -0.046 0.000 0.666 313 V HN 0.518 nan 8.190 nan 0.000 0.456 314 K N -0.234 120.161 120.400 -0.007 0.000 2.097 314 K HA -0.136 4.188 4.320 0.007 0.000 0.205 314 K C 2.106 178.713 176.600 0.011 0.000 1.050 314 K CA 1.177 57.465 56.287 0.002 0.000 0.938 314 K CB -0.270 32.235 32.500 0.008 0.000 0.718 314 K HN 0.441 nan 8.250 nan 0.000 0.442 315 N N 1.437 120.145 118.700 0.013 0.000 2.084 315 N HA -0.154 4.590 4.740 0.007 0.000 0.190 315 N C 1.457 176.993 175.510 0.044 0.000 1.030 315 N CA 1.295 54.366 53.050 0.034 0.000 0.849 315 N CB 0.159 38.660 38.487 0.022 0.000 1.012 315 N HN 0.141 nan 8.380 nan 0.000 0.423 316 K N 0.478 120.879 120.400 0.002 0.000 2.147 316 K HA -0.040 4.284 4.320 0.007 0.000 0.205 316 K C 2.046 178.696 176.600 0.084 0.000 1.049 316 K CA 1.111 57.401 56.287 0.005 0.000 0.936 316 K CB -0.055 32.427 32.500 -0.029 0.000 0.722 316 K HN 0.173 nan 8.250 nan 0.000 0.446 317 A N 1.406 124.249 122.820 0.038 0.000 1.929 317 A HA -0.125 4.199 4.320 0.007 0.000 0.216 317 A C 2.012 179.585 177.584 -0.018 0.000 1.176 317 A CA 1.068 53.106 52.037 0.001 0.000 0.628 317 A CB -0.274 18.708 19.000 -0.030 0.000 0.816 317 A HN 0.172 nan 8.150 nan 0.000 0.444 318 R N -2.060 118.451 120.500 0.017 0.000 2.081 318 R HA -0.152 4.192 4.340 0.007 0.000 0.235 318 R C 2.142 178.465 176.300 0.038 0.000 1.131 318 R CA 1.701 57.808 56.100 0.012 0.000 0.960 318 R CB -0.545 29.783 30.300 0.046 0.000 0.856 318 R HN 0.707 nan 8.270 nan 0.000 0.436 319 Y N 2.431 122.723 120.300 -0.014 0.000 2.128 319 Y HA -0.226 4.329 4.550 0.007 0.000 0.284 319 Y C 2.095 177.992 175.900 -0.005 0.000 1.154 319 Y CA 1.648 59.750 58.100 0.002 0.000 1.149 319 Y CB -0.213 38.225 38.460 -0.037 0.000 0.976 319 Y HN 0.022 nan 8.280 nan 0.000 0.505 320 L N -0.326 120.928 121.223 0.050 0.000 2.201 320 L HA -0.118 4.226 4.340 0.007 0.000 0.212 320 L C 1.770 178.584 176.870 -0.094 0.000 1.105 320 L CA 1.804 56.624 54.840 -0.033 0.000 0.775 320 L CB -1.063 41.041 42.059 0.074 0.000 0.913 320 L HN 0.262 nan 8.230 nan 0.000 0.440 321 K N 0.669 120.995 120.400 -0.124 0.000 2.025 321 K HA -0.089 4.235 4.320 0.007 0.000 0.207 321 K C 1.862 178.436 176.600 -0.043 0.000 1.049 321 K CA 1.255 57.477 56.287 -0.109 0.000 0.933 321 K CB -0.148 32.239 32.500 -0.189 0.000 0.714 321 K HN 0.449 nan 8.250 nan 0.000 0.438 322 N N 0.992 119.630 118.700 -0.103 0.000 2.364 322 N HA -0.121 4.623 4.740 0.007 0.000 0.183 322 N C 1.367 176.796 175.510 -0.135 0.000 1.022 322 N CA 0.889 53.880 53.050 -0.098 0.000 0.883 322 N CB -0.007 38.421 38.487 -0.098 0.000 0.965 322 N HN 0.179 nan 8.380 nan 0.000 0.438 323 R N 0.711 121.077 120.500 -0.222 0.000 2.317 323 R HA 0.151 4.495 4.340 0.007 0.000 0.208 323 R C -0.092 176.167 176.300 -0.067 0.000 0.914 323 R CA -0.010 55.977 56.100 -0.188 0.000 1.060 323 R CB 0.225 30.332 30.300 -0.322 0.000 1.015 323 R HN 0.221 nan 8.270 nan 0.000 0.498 324 Q N 0.575 120.371 119.800 -0.007 0.000 2.475 324 Q HA -0.187 4.157 4.340 0.007 0.000 0.280 324 Q C -0.661 175.383 176.000 0.074 0.000 1.234 324 Q CA 0.431 56.271 55.803 0.062 0.000 0.873 324 Q CB -1.612 27.140 28.738 0.024 0.000 1.256 324 Q HN 0.381 nan 8.270 nan 0.000 0.475 325 L N -1.133 120.145 121.223 0.092 0.000 2.466 325 L HA 0.317 4.661 4.340 0.007 0.000 0.257 325 L C 1.709 178.669 176.870 0.149 0.000 1.189 325 L CA 0.434 55.330 54.840 0.093 0.000 0.813 325 L CB 0.194 42.301 42.059 0.080 0.000 1.118 325 L HN 0.270 nan 8.230 nan 0.000 0.471 326 A N 0.891 123.769 122.820 0.097 0.000 2.019 326 A HA 0.273 4.597 4.320 0.007 0.000 0.219 326 A C 0.974 178.640 177.584 0.138 0.000 1.164 326 A CA 1.515 53.596 52.037 0.073 0.000 0.644 326 A CB -0.429 18.588 19.000 0.029 0.000 0.805 326 A HN 1.008 nan 8.150 nan 0.000 0.449 327 G N -3.112 105.777 108.800 0.148 0.000 2.368 327 G HA2 0.573 4.537 3.960 0.007 0.000 0.269 327 G HA3 0.573 4.537 3.960 0.007 0.000 0.269 327 G C -0.908 174.036 174.900 0.073 0.000 1.291 327 G CA -0.121 45.062 45.100 0.139 0.000 0.903 327 G HN 1.249 nan 8.290 nan 0.000 0.483 328 A N -0.434 122.416 122.820 0.051 0.000 2.380 328 A HA 0.871 5.195 4.320 0.007 0.000 0.315 328 A C -0.300 177.338 177.584 0.089 0.000 1.101 328 A CA -0.502 51.580 52.037 0.075 0.000 0.771 328 A CB 1.891 20.928 19.000 0.062 0.000 1.287 328 A HN 1.440 nan 8.150 nan 0.000 0.436 329 M N 2.433 122.133 119.600 0.167 0.000 2.393 329 M HA 0.595 5.079 4.480 0.007 0.000 0.316 329 M C -2.106 174.381 176.300 0.311 0.000 1.087 329 M CA -0.554 54.899 55.300 0.255 0.000 0.937 329 M CB 1.469 34.285 32.600 0.361 0.000 1.668 329 M HN 0.389 nan 8.290 nan 0.000 0.438 330 V N 5.574 125.678 119.914 0.318 0.000 2.409 330 V HA 0.363 4.487 4.120 0.007 0.000 0.291 330 V C -0.925 175.404 176.094 0.392 0.000 1.020 330 V CA -0.677 61.797 62.300 0.292 0.000 0.848 330 V CB 1.915 33.840 31.823 0.168 0.000 0.990 330 V HN 0.878 nan 8.190 nan 0.000 0.430 331 W N 6.614 128.038 121.300 0.206 0.000 2.342 331 W HA 0.591 5.255 4.660 0.006 0.000 0.310 331 W C 0.202 176.815 176.519 0.157 0.000 1.128 331 W CA 0.026 57.480 57.345 0.182 0.000 1.322 331 W CB 0.944 30.457 29.460 0.088 0.000 1.251 331 W HN 0.969 nan 8.180 nan 0.000 0.439 332 A N 5.784 128.256 122.820 -0.580 0.000 2.050 332 A HA -0.239 4.086 4.320 0.007 0.000 0.273 332 A C 0.339 177.842 177.584 -0.134 0.000 1.260 332 A CA 0.324 52.028 52.037 -0.555 0.000 0.657 332 A CB -1.534 17.080 19.000 -0.642 0.000 1.412 332 A HN 0.826 nan 8.150 nan 0.000 0.281 333 L N 0.888 122.074 121.223 -0.062 0.000 2.131 333 L HA -0.168 4.176 4.340 0.007 0.000 0.210 333 L C 2.248 179.242 176.870 0.206 0.000 1.092 333 L CA 2.198 57.148 54.840 0.183 0.000 0.759 333 L CB -0.349 41.816 42.059 0.176 0.000 0.903 333 L HN 1.012 nan 8.230 nan 0.000 0.435 334 D N -0.663 119.699 120.400 -0.064 0.000 2.371 334 D HA -0.137 4.507 4.640 0.007 0.000 0.221 334 D C 1.775 178.137 176.300 0.103 0.000 0.986 334 D CA 0.676 54.565 54.000 -0.186 0.000 0.899 334 D CB -0.061 40.474 40.800 -0.443 0.000 0.902 334 D HN 0.317 nan 8.370 nan 0.000 0.530 335 L N -0.645 120.641 121.223 0.106 0.000 2.616 335 L HA 0.218 4.563 4.340 0.007 0.000 0.229 335 L C 0.827 177.844 176.870 0.245 0.000 1.110 335 L CA -0.286 54.630 54.840 0.127 0.000 0.884 335 L CB 0.091 42.194 42.059 0.074 0.000 1.115 335 L HN 0.056 nan 8.230 nan 0.000 0.481 336 D N 0.353 120.957 120.400 0.340 0.000 2.387 336 D HA -0.022 4.622 4.640 0.007 0.000 0.251 336 D C -0.254 176.291 176.300 0.410 0.000 1.141 336 D CA -0.252 53.968 54.000 0.366 0.000 0.987 336 D CB 1.214 42.241 40.800 0.377 0.000 1.116 336 D HN -0.153 nan 8.370 nan 0.000 0.491 337 D N 1.333 121.925 120.400 0.321 0.000 2.597 337 D HA -0.042 4.602 4.640 0.007 0.000 0.228 337 D C 1.191 177.340 176.300 -0.252 0.000 1.120 337 D CA -0.270 53.776 54.000 0.077 0.000 1.083 337 D CB -1.009 39.879 40.800 0.146 0.000 1.116 337 D HN 0.340 nan 8.370 nan 0.000 0.487 338 F N 0.843 120.537 119.950 -0.426 0.000 2.216 338 F HA -0.033 4.498 4.527 0.007 0.000 0.300 338 F C 1.844 177.268 175.800 -0.626 0.000 1.085 338 F CA 0.678 58.078 58.000 -1.000 0.000 1.326 338 F CB -0.427 38.150 39.000 -0.705 0.000 1.027 338 F HN 0.044 nan 8.300 nan 0.000 0.497 339 R N 0.521 120.455 120.500 -0.944 0.000 2.153 339 R HA 0.169 4.513 4.340 0.007 0.000 0.218 339 R C 1.727 177.853 176.300 -0.290 0.000 1.072 339 R CA 0.721 56.505 56.100 -0.526 0.000 0.990 339 R CB -0.606 29.351 30.300 -0.572 0.000 0.889 339 R HN 0.582 nan 8.270 nan 0.000 0.452 340 G N 0.911 109.558 108.800 -0.256 0.000 2.147 340 G HA2 -0.282 3.682 3.960 0.007 0.000 0.244 340 G HA3 -0.282 3.682 3.960 0.007 0.000 0.244 340 G C 0.617 175.467 174.900 -0.083 0.000 1.005 340 G CA 0.828 45.864 45.100 -0.107 0.000 0.713 340 G HN 0.477 nan 8.290 nan 0.000 0.515 341 T N -3.728 110.755 114.554 -0.119 0.000 3.132 341 T HA 0.566 4.921 4.350 0.007 0.000 0.274 341 T C 1.354 175.866 174.700 -0.313 0.000 1.011 341 T CA 0.524 62.493 62.100 -0.219 0.000 0.899 341 T CB -0.072 68.593 68.868 -0.339 0.000 1.089 341 T HN 0.161 nan 8.240 nan 0.000 0.543 342 F N 0.374 120.226 119.950 -0.164 0.000 2.637 342 F HA 0.372 4.903 4.527 0.006 0.000 0.284 342 F C 1.644 177.390 175.800 -0.089 0.000 1.105 342 F CA -0.790 57.139 58.000 -0.118 0.000 1.356 342 F CB 0.295 39.228 39.000 -0.112 0.000 1.096 342 F HN 0.226 nan 8.300 nan 0.000 0.616 343 c N 1.261 119.927 118.600 0.110 0.000 2.285 343 c HA 0.647 5.221 4.570 0.007 0.000 0.361 343 c C 1.552 175.666 174.090 0.040 0.000 1.361 343 c CA -0.125 56.231 56.329 0.046 0.000 1.775 343 c CB -1.716 40.830 42.510 0.059 0.000 2.409 343 c HN 0.837 nan 8.230 nan 0.000 0.572 344 G N 1.667 110.476 108.800 0.015 0.000 2.595 344 G HA2 -0.269 3.695 3.960 0.007 0.000 0.297 344 G HA3 -0.269 3.695 3.960 0.007 0.000 0.297 344 G C 0.226 175.133 174.900 0.011 0.000 1.181 344 G CA 0.243 45.347 45.100 0.008 0.000 0.963 344 G HN 0.826 nan 8.290 nan 0.000 0.541 345 Q N 1.658 121.475 119.800 0.028 0.000 3.002 345 Q HA -0.067 4.277 4.340 0.007 0.000 0.384 345 Q C 0.009 176.023 176.000 0.023 0.000 1.084 345 Q CA 1.368 57.189 55.803 0.030 0.000 1.189 345 Q CB -0.221 28.547 28.738 0.050 0.000 1.072 345 Q HN 0.598 nan 8.270 nan 0.000 0.443 346 N N 2.544 121.250 118.700 0.009 0.000 2.715 346 N HA 0.145 4.890 4.740 0.007 0.000 0.254 346 N C -0.641 174.878 175.510 0.015 0.000 1.306 346 N CA 0.153 53.201 53.050 -0.002 0.000 0.956 346 N CB 0.037 38.517 38.487 -0.012 0.000 1.296 346 N HN 0.480 nan 8.380 nan 0.000 0.512 347 L N 0.034 121.279 121.223 0.037 0.000 2.289 347 L HA 0.293 4.637 4.340 0.007 0.000 0.285 347 L C 0.360 177.268 176.870 0.063 0.000 1.049 347 L CA -0.352 54.525 54.840 0.062 0.000 0.804 347 L CB 1.173 43.281 42.059 0.082 0.000 1.195 347 L HN 0.058 nan 8.230 nan 0.000 0.428 348 T N 3.824 118.427 114.554 0.081 0.000 2.897 348 T HA 0.258 4.612 4.350 0.007 0.000 0.294 348 T C 0.035 174.859 174.700 0.206 0.000 1.004 348 T CA 0.069 62.201 62.100 0.053 0.000 1.106 348 T CB -0.046 68.893 68.868 0.119 0.000 0.949 348 T HN 0.421 nan 8.240 nan 0.000 0.520 349 F N 4.246 124.277 119.950 0.135 0.000 2.891 349 F HA -0.142 4.389 4.527 0.007 0.000 0.272 349 F C -1.225 174.640 175.800 0.108 0.000 1.004 349 F CA 0.245 58.328 58.000 0.139 0.000 0.938 349 F CB -1.417 37.655 39.000 0.120 0.000 0.939 349 F HN 0.568 nan 8.300 nan 0.000 0.833 350 P HA -0.218 nan 4.420 nan 0.000 0.215 350 P C 1.857 179.216 177.300 0.100 0.000 1.157 350 P CA 1.401 64.605 63.100 0.173 0.000 0.868 350 P CB 0.310 32.140 31.700 0.217 0.000 0.788 351 L N -0.108 121.130 121.223 0.026 0.000 2.017 351 L HA -0.102 4.242 4.340 0.007 0.000 0.208 351 L C 2.691 179.577 176.870 0.028 0.000 1.073 351 L CA 2.244 57.040 54.840 -0.073 0.000 0.745 351 L CB -2.063 39.863 42.059 -0.222 0.000 0.894 351 L HN 0.003 nan 8.230 nan 0.000 0.432 352 T N -1.504 113.115 114.554 0.108 0.000 2.788 352 T HA -0.134 4.221 4.350 0.007 0.000 0.268 352 T C 2.033 176.776 174.700 0.072 0.000 1.044 352 T CA 1.466 63.622 62.100 0.093 0.000 1.139 352 T CB -0.246 68.684 68.868 0.103 0.000 0.867 352 T HN 0.276 nan 8.240 nan 0.000 0.454 353 S N 1.635 117.399 115.700 0.107 0.000 2.383 353 S HA 0.011 4.486 4.470 0.007 0.000 0.227 353 S C 2.624 177.258 174.600 0.056 0.000 1.026 353 S CA 0.841 59.093 58.200 0.086 0.000 0.981 353 S CB -0.560 62.711 63.200 0.119 0.000 0.818 353 S HN 0.606 nan 8.310 nan 0.000 0.472 354 A N 1.314 124.164 122.820 0.050 0.000 1.902 354 A HA -0.053 4.271 4.320 0.007 0.000 0.217 354 A C 2.340 179.934 177.584 0.017 0.000 1.181 354 A CA 1.535 53.590 52.037 0.030 0.000 0.623 354 A CB -0.905 18.107 19.000 0.020 0.000 0.818 354 A HN 0.347 nan 8.150 nan 0.000 0.443 355 V N 0.296 120.219 119.914 0.016 0.000 2.295 355 V HA -0.265 3.860 4.120 0.007 0.000 0.246 355 V C 2.538 178.631 176.094 -0.000 0.000 1.049 355 V CA 2.334 64.637 62.300 0.006 0.000 1.024 355 V CB -0.661 31.172 31.823 0.017 0.000 0.648 355 V HN 0.694 nan 8.190 nan 0.000 0.447 356 K N -0.095 120.314 120.400 0.015 0.000 2.103 356 K HA -0.247 4.077 4.320 0.007 0.000 0.207 356 K C 1.818 178.427 176.600 0.016 0.000 1.048 356 K CA 1.965 58.264 56.287 0.019 0.000 0.930 356 K CB -0.234 32.283 32.500 0.029 0.000 0.716 356 K HN 0.461 nan 8.250 nan 0.000 0.444 357 D N 0.306 120.717 120.400 0.018 0.000 2.097 357 D HA -0.138 4.506 4.640 0.007 0.000 0.195 357 D C 1.997 178.298 176.300 0.001 0.000 0.989 357 D CA 1.056 55.066 54.000 0.016 0.000 0.827 357 D CB -0.237 40.575 40.800 0.021 0.000 0.966 357 D HN 0.043 nan 8.370 nan 0.000 0.456 358 V N 0.953 120.858 119.914 -0.014 0.000 2.343 358 V HA -0.212 3.912 4.120 0.007 0.000 0.247 358 V C 2.422 178.468 176.094 -0.080 0.000 1.051 358 V CA 1.027 63.304 62.300 -0.038 0.000 1.036 358 V CB -0.351 31.445 31.823 -0.045 0.000 0.654 358 V HN 0.128 nan 8.190 nan 0.000 0.451 359 L N 0.352 121.513 121.223 -0.103 0.000 2.191 359 L HA -0.081 4.264 4.340 0.007 0.000 0.212 359 L C 2.394 179.258 176.870 -0.009 0.000 1.103 359 L CA 2.084 56.820 54.840 -0.174 0.000 0.769 359 L CB -1.160 40.834 42.059 -0.109 0.000 0.908 359 L HN 0.325 nan 8.230 nan 0.000 0.438 360 A N -1.651 121.183 122.820 0.024 0.000 2.132 360 A HA -0.033 4.291 4.320 0.007 0.000 0.213 360 A C 2.240 179.856 177.584 0.054 0.000 1.154 360 A CA 0.347 52.421 52.037 0.061 0.000 0.753 360 A CB -0.211 18.817 19.000 0.047 0.000 0.826 360 A HN 0.176 nan 8.150 nan 0.000 0.469 361 R N -0.245 120.272 120.500 0.029 0.000 2.148 361 R HA 0.347 4.691 4.340 0.007 0.000 0.227 361 R C 0.679 177.007 176.300 0.046 0.000 1.103 361 R CA 0.891 57.009 56.100 0.029 0.000 0.983 361 R CB -0.662 29.646 30.300 0.013 0.000 0.874 361 R HN 0.639 nan 8.270 nan 0.000 0.451 362 A N 0.000 122.863 122.820 0.071 0.000 2.254 362 A HA 0.000 4.324 4.320 0.007 0.000 0.244 362 A CA 0.000 52.105 52.037 0.114 0.000 0.836 362 A CB 0.000 19.041 19.000 0.069 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486