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 1xhg_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 0.000 175.891 175.900 -0.016 0.000 1.272 1 Y CA 0.000 58.093 58.100 -0.011 0.000 1.940 1 Y CB 0.000 38.460 38.460 -0.000 0.000 1.050 2 K N 3.701 124.126 120.400 0.042 0.000 2.185 2 K HA 0.621 4.946 4.320 0.008 0.000 0.271 2 K C -0.932 175.677 176.600 0.016 0.000 1.013 2 K CA -0.677 55.599 56.287 -0.018 0.000 0.943 2 K CB 1.574 33.924 32.500 -0.251 0.000 0.998 2 K HN 0.538 nan 8.250 nan 0.000 0.468 3 L N 4.659 125.902 121.223 0.033 0.000 2.442 3 L HA 0.337 4.682 4.340 0.008 0.000 0.261 3 L C -1.292 175.600 176.870 0.036 0.000 1.000 3 L CA -0.807 54.060 54.840 0.045 0.000 0.882 3 L CB 0.779 42.871 42.059 0.054 0.000 1.207 3 L HN 0.529 nan 8.230 nan 0.000 0.443 4 I N 2.922 123.503 120.570 0.019 0.000 2.342 4 I HA 0.277 4.452 4.170 0.008 0.000 0.291 4 I C -0.176 175.980 176.117 0.066 0.000 1.010 4 I CA -0.390 60.924 61.300 0.024 0.000 1.308 4 I CB 0.973 38.983 38.000 0.018 0.000 1.400 4 I HN 0.502 nan 8.210 nan 0.000 0.488 5 c N 6.658 125.268 118.600 0.017 0.000 2.340 5 c HA 0.472 5.046 4.570 0.008 0.000 0.323 5 c C 0.001 174.070 174.090 -0.034 0.000 1.260 5 c CA -0.854 55.492 56.329 0.029 0.000 1.464 5 c CB 0.328 42.828 42.510 -0.017 0.000 2.156 5 c HN 0.571 nan 8.230 nan 0.000 0.476 6 Y N 1.499 121.809 120.300 0.017 0.000 2.299 6 Y HA 0.407 4.962 4.550 0.008 0.000 0.326 6 Y C 0.007 175.729 175.900 -0.296 0.000 1.164 6 Y CA 0.191 58.221 58.100 -0.117 0.000 1.234 6 Y CB 0.602 38.964 38.460 -0.165 0.000 1.219 6 Y HN 0.707 nan 8.280 nan 0.000 0.497 7 Y N 3.063 123.201 120.300 -0.271 0.000 2.338 7 Y HA 0.407 4.962 4.550 0.008 0.000 0.333 7 Y C -0.520 174.979 175.900 -0.669 0.000 0.968 7 Y CA -1.291 56.558 58.100 -0.418 0.000 1.123 7 Y CB 1.108 39.420 38.460 -0.248 0.000 1.165 7 Y HN 0.638 nan 8.280 nan 0.000 0.452 8 T N 1.662 115.185 114.554 -1.718 0.000 2.837 8 T HA 0.301 4.656 4.350 0.008 0.000 0.285 8 T C 0.859 174.453 174.700 -1.844 0.000 0.984 8 T CA -0.314 60.676 62.100 -1.850 0.000 1.049 8 T CB 1.567 69.061 68.868 -2.290 0.000 0.947 8 T HN 0.684 nan 8.240 nan 0.000 0.472 9 S N 1.540 116.483 115.700 -1.262 0.000 2.353 9 S HA -0.118 4.357 4.470 0.008 0.000 0.222 9 S C 1.519 175.836 174.600 -0.472 0.000 1.035 9 S CA 1.619 59.410 58.200 -0.681 0.000 1.025 9 S CB -0.714 62.337 63.200 -0.247 0.000 0.902 9 S HN 1.032 nan 8.310 nan 0.000 0.440 10 W N 3.060 124.184 121.300 -0.293 0.000 2.747 10 W HA 0.048 4.713 4.660 0.008 0.000 0.244 10 W C 1.658 178.096 176.519 -0.135 0.000 1.270 10 W CA 0.527 57.841 57.345 -0.053 0.000 1.333 10 W CB -1.033 28.465 29.460 0.064 0.000 1.139 10 W HN 0.303 nan 8.180 nan 0.000 0.662 11 S N 0.612 115.935 115.700 -0.628 0.000 2.561 11 S HA -0.190 4.285 4.470 0.008 0.000 0.225 11 S C 1.760 176.129 174.600 -0.385 0.000 0.977 11 S CA 0.771 58.683 58.200 -0.481 0.000 0.926 11 S CB -0.684 62.101 63.200 -0.691 0.000 0.769 11 S HN 0.738 nan 8.310 nan 0.000 0.533 12 Q N -0.124 119.339 119.800 -0.561 0.000 2.187 12 Q HA -0.047 4.298 4.340 0.008 0.000 0.199 12 Q C 1.144 176.905 176.000 -0.398 0.000 0.957 12 Q CA 0.929 56.255 55.803 -0.795 0.000 0.857 12 Q CB -0.767 27.261 28.738 -1.183 0.000 0.929 12 Q HN 0.629 nan 8.270 nan 0.000 0.453 13 Y N 1.393 121.696 120.300 0.004 0.000 2.516 13 Y HA 0.141 4.696 4.550 0.008 0.000 0.291 13 Y C 0.596 176.578 175.900 0.136 0.000 1.131 13 Y CA -0.105 58.067 58.100 0.120 0.000 1.281 13 Y CB -0.050 38.509 38.460 0.164 0.000 1.013 13 Y HN -0.022 nan 8.280 nan 0.000 0.554 14 R N 2.295 122.937 120.500 0.236 0.000 2.585 14 R HA 0.009 4.354 4.340 0.008 0.000 0.275 14 R C 0.748 177.203 176.300 0.259 0.000 1.018 14 R CA -0.001 56.248 56.100 0.248 0.000 1.072 14 R CB 0.273 30.716 30.300 0.239 0.000 0.953 14 R HN 0.396 nan 8.270 nan 0.000 0.419 15 E N 2.134 122.489 120.200 0.258 0.000 2.376 15 E HA 0.312 4.667 4.350 0.008 0.000 0.254 15 E C 0.561 177.344 176.600 0.306 0.000 1.213 15 E CA -0.224 56.318 56.400 0.236 0.000 0.945 15 E CB 0.584 30.380 29.700 0.159 0.000 1.057 15 E HN 0.625 nan 8.360 nan 0.000 0.479 16 G N 1.623 110.572 108.800 0.248 0.000 2.578 16 G HA2 -0.355 3.610 3.960 0.008 0.000 0.275 16 G HA3 -0.355 3.610 3.960 0.008 0.000 0.275 16 G C 0.390 175.468 174.900 0.297 0.000 1.271 16 G CA 0.335 45.608 45.100 0.288 0.000 0.941 16 G HN 0.787 nan 8.290 nan 0.000 0.564 17 D N 1.023 121.608 120.400 0.308 0.000 2.263 17 D HA -0.073 4.572 4.640 0.008 0.000 0.208 17 D C 2.493 178.830 176.300 0.063 0.000 0.971 17 D CA 1.626 55.698 54.000 0.120 0.000 0.867 17 D CB -0.771 40.056 40.800 0.045 0.000 0.929 17 D HN 0.713 nan 8.370 nan 0.000 0.492 18 G N 0.846 109.744 108.800 0.164 0.000 2.507 18 G HA2 -0.238 3.727 3.960 0.008 0.000 0.221 18 G HA3 -0.238 3.727 3.960 0.008 0.000 0.221 18 G C 0.960 176.037 174.900 0.296 0.000 1.119 18 G CA 0.507 45.701 45.100 0.157 0.000 0.751 18 G HN 0.267 nan 8.290 nan 0.000 0.574 19 S N -0.973 114.895 115.700 0.279 0.000 2.552 19 S HA 0.250 4.725 4.470 0.008 0.000 0.289 19 S C -0.215 174.531 174.600 0.244 0.000 1.304 19 S CA -0.192 58.140 58.200 0.219 0.000 1.063 19 S CB 0.178 63.553 63.200 0.291 0.000 0.848 19 S HN 0.437 nan 8.310 nan 0.000 0.499 20 C N 6.294 125.558 119.300 -0.061 0.000 2.608 20 C HA 0.806 5.271 4.460 0.008 0.000 0.325 20 C C -1.401 173.453 174.990 -0.227 0.000 1.147 20 C CA -0.784 58.142 59.018 -0.154 0.000 1.359 20 C CB -0.125 27.216 27.740 -0.665 0.000 1.912 20 C HN 0.859 nan 8.230 nan 0.000 0.466 21 F N 4.315 124.238 119.950 -0.044 0.000 2.611 21 F HA 0.525 5.057 4.527 0.008 0.000 0.324 21 F C -1.626 174.009 175.800 -0.274 0.000 1.061 21 F CA -1.984 55.969 58.000 -0.078 0.000 0.954 21 F CB 1.201 40.171 39.000 -0.049 0.000 1.301 21 F HN 0.305 nan 8.300 nan 0.000 0.482 22 P HA -0.180 nan 4.420 nan 0.000 0.217 22 P C 1.089 178.288 177.300 -0.169 0.000 1.148 22 P CA 1.594 64.436 63.100 -0.430 0.000 0.828 22 P CB 0.181 31.720 31.700 -0.268 0.000 0.783 23 D N 0.173 120.554 120.400 -0.033 0.000 2.191 23 D HA -0.228 4.417 4.640 0.008 0.000 0.190 23 D C 1.306 177.624 176.300 0.029 0.000 1.007 23 D CA 1.806 55.807 54.000 0.001 0.000 0.865 23 D CB -0.696 40.122 40.800 0.030 0.000 0.929 23 D HN 0.089 nan 8.370 nan 0.000 0.447 24 A N -0.680 122.188 122.820 0.080 0.000 2.476 24 A HA 0.293 4.618 4.320 0.008 0.000 0.263 24 A C 0.454 178.182 177.584 0.238 0.000 1.342 24 A CA -0.279 51.859 52.037 0.168 0.000 0.926 24 A CB -0.360 18.802 19.000 0.269 0.000 1.019 24 A HN 0.282 nan 8.150 nan 0.000 0.515 25 I N 0.465 121.095 120.570 0.099 0.000 2.336 25 I HA 0.141 4.316 4.170 0.008 0.000 0.292 25 I C -0.427 175.691 176.117 0.002 0.000 0.991 25 I CA -0.781 60.548 61.300 0.049 0.000 1.227 25 I CB 1.504 39.429 38.000 -0.125 0.000 1.366 25 I HN 0.090 nan 8.210 nan 0.000 0.466 26 D N 9.118 129.512 120.400 -0.009 0.000 2.363 26 D HA 0.092 4.737 4.640 0.008 0.000 0.263 26 D C -1.712 174.527 176.300 -0.103 0.000 1.258 26 D CA -1.855 52.150 54.000 0.008 0.000 0.907 26 D CB 1.302 42.130 40.800 0.046 0.000 1.107 26 D HN 0.197 nan 8.370 nan 0.000 0.495 27 P HA -0.061 nan 4.420 nan 0.000 0.222 27 P C 0.424 177.426 177.300 -0.497 0.000 1.147 27 P CA 0.910 63.790 63.100 -0.367 0.000 0.790 27 P CB 0.052 31.431 31.700 -0.534 0.000 0.780 28 F N -2.602 117.314 119.950 -0.057 0.000 2.695 28 F HA 0.183 4.715 4.527 0.008 0.000 0.303 28 F C 1.737 177.504 175.800 -0.055 0.000 1.091 28 F CA -0.222 57.748 58.000 -0.049 0.000 1.300 28 F CB -0.491 38.492 39.000 -0.029 0.000 1.071 28 F HN -0.169 nan 8.300 nan 0.000 0.578 29 L N -0.313 120.922 121.223 0.021 0.000 2.007 29 L HA 0.051 4.396 4.340 0.008 0.000 0.205 29 L C 0.862 177.708 176.870 -0.040 0.000 1.073 29 L CA 1.420 56.242 54.840 -0.031 0.000 0.744 29 L CB -0.310 41.647 42.059 -0.170 0.000 0.898 29 L HN 0.038 nan 8.230 nan 0.000 0.435 30 c N -1.000 117.551 118.600 -0.082 0.000 2.345 30 c HA 0.500 5.075 4.570 0.008 0.000 0.370 30 c C 1.993 176.060 174.090 -0.039 0.000 1.209 30 c CA 0.085 56.386 56.329 -0.048 0.000 2.133 30 c CB 1.258 43.731 42.510 -0.063 0.000 2.293 30 c HN 0.631 nan 8.230 nan 0.000 0.544 31 T N -2.305 112.254 114.554 0.008 0.000 3.040 31 T HA 0.112 4.467 4.350 0.008 0.000 0.252 31 T C 0.076 174.679 174.700 -0.162 0.000 1.064 31 T CA 0.885 62.972 62.100 -0.021 0.000 1.110 31 T CB -0.192 68.733 68.868 0.096 0.000 0.921 31 T HN 0.778 nan 8.240 nan 0.000 0.480 32 H N 0.013 119.036 119.070 -0.078 0.000 2.840 32 H HA 0.679 5.240 4.556 0.008 0.000 0.340 32 H C -1.342 173.952 175.328 -0.057 0.000 1.004 32 H CA -0.685 55.328 56.048 -0.058 0.000 1.288 32 H CB 1.998 31.721 29.762 -0.065 0.000 1.607 32 H HN 0.057 nan 8.280 nan 0.000 0.522 33 V N 4.872 124.809 119.914 0.038 0.000 2.513 33 V HA 0.426 4.551 4.120 0.008 0.000 0.299 33 V C 0.044 176.171 176.094 0.056 0.000 1.035 33 V CA -0.639 61.665 62.300 0.008 0.000 0.889 33 V CB 1.718 33.523 31.823 -0.031 0.000 0.988 33 V HN 0.649 nan 8.190 nan 0.000 0.440 34 I N 3.920 124.488 120.570 -0.003 0.000 2.418 34 I HA 0.344 4.519 4.170 0.008 0.000 0.287 34 I C -1.085 175.121 176.117 0.148 0.000 1.008 34 I CA -0.735 60.578 61.300 0.021 0.000 1.104 34 I CB 1.704 39.510 38.000 -0.323 0.000 1.264 34 I HN 0.579 nan 8.210 nan 0.000 0.438 35 Y N 5.301 125.690 120.300 0.148 0.000 2.402 35 Y HA 0.177 4.732 4.550 0.008 0.000 0.333 35 Y C 0.442 176.383 175.900 0.068 0.000 1.076 35 Y CA 0.150 58.358 58.100 0.179 0.000 1.299 35 Y CB 0.959 39.605 38.460 0.309 0.000 1.197 35 Y HN 0.479 nan 8.280 nan 0.000 0.517 36 S N 7.529 122.972 115.700 -0.428 0.000 2.416 36 S HA 0.396 4.871 4.470 0.008 0.000 0.287 36 S C -1.575 172.711 174.600 -0.522 0.000 1.139 36 S CA -0.381 57.450 58.200 -0.615 0.000 1.058 36 S CB -0.574 62.008 63.200 -1.030 0.000 0.967 36 S HN 0.534 nan 8.310 nan 0.000 0.495 37 F N -0.314 119.669 119.950 0.056 0.000 2.130 37 F HA -0.161 4.371 4.527 0.008 0.000 0.464 37 F C 0.465 176.349 175.800 0.141 0.000 1.225 37 F CA -0.336 57.665 58.000 0.001 0.000 1.505 37 F CB -1.936 36.938 39.000 -0.210 0.000 2.379 37 F HN 0.632 nan 8.300 nan 0.000 0.732 38 A N 1.594 124.677 122.820 0.439 0.000 2.248 38 A HA 0.837 5.161 4.320 0.008 0.000 0.316 38 A C 0.182 178.085 177.584 0.530 0.000 1.101 38 A CA -0.185 52.146 52.037 0.491 0.000 0.875 38 A CB 1.218 20.431 19.000 0.355 0.000 1.207 38 A HN 0.733 nan 8.150 nan 0.000 0.504 39 N N -1.490 117.496 118.700 0.477 0.000 2.592 39 N HA 0.706 5.450 4.740 0.008 0.000 0.292 39 N C -1.273 174.326 175.510 0.148 0.000 1.260 39 N CA -0.508 52.768 53.050 0.375 0.000 0.910 39 N CB 1.014 39.602 38.487 0.169 0.000 1.257 39 N HN 0.489 nan 8.380 nan 0.000 0.569 40 I N 0.267 120.903 120.570 0.111 0.000 2.533 40 I HA 0.354 4.529 4.170 0.008 0.000 0.290 40 I C -0.910 175.178 176.117 -0.049 0.000 1.056 40 I CA -0.548 60.752 61.300 -0.001 0.000 1.057 40 I CB 2.008 39.934 38.000 -0.123 0.000 1.240 40 I HN 0.277 nan 8.210 nan 0.000 0.423 41 S N 3.863 119.535 115.700 -0.047 0.000 2.575 41 S HA 0.362 4.837 4.470 0.008 0.000 0.278 41 S C -0.251 174.325 174.600 -0.040 0.000 1.139 41 S CA -0.652 57.512 58.200 -0.061 0.000 0.954 41 S CB 1.474 64.641 63.200 -0.054 0.000 1.054 41 S HN 0.798 nan 8.310 nan 0.000 0.483 42 N N 2.797 121.467 118.700 -0.050 0.000 2.740 42 N HA -0.168 4.577 4.740 0.008 0.000 0.248 42 N C -0.551 174.950 175.510 -0.016 0.000 1.062 42 N CA 0.672 53.702 53.050 -0.033 0.000 0.704 42 N CB -1.405 37.071 38.487 -0.019 0.000 0.968 42 N HN 0.711 nan 8.380 nan 0.000 0.547 43 N N -1.582 117.099 118.700 -0.031 0.000 2.725 43 N HA -0.206 4.539 4.740 0.008 0.000 0.249 43 N C -1.055 174.523 175.510 0.114 0.000 1.103 43 N CA 1.528 54.580 53.050 0.004 0.000 0.707 43 N CB -0.878 37.612 38.487 0.005 0.000 1.043 43 N HN 0.730 nan 8.380 nan 0.000 0.553 44 E N -0.121 120.135 120.200 0.094 0.000 2.314 44 E HA 0.393 4.748 4.350 0.008 0.000 0.272 44 E C 0.241 176.886 176.600 0.074 0.000 0.884 44 E CA -0.893 55.572 56.400 0.109 0.000 0.753 44 E CB 2.362 32.076 29.700 0.025 0.000 1.213 44 E HN 0.169 nan 8.360 nan 0.000 0.432 45 I N 1.465 122.055 120.570 0.033 0.000 3.205 45 I HA -0.072 4.103 4.170 0.008 0.000 0.287 45 I C -0.263 175.627 176.117 -0.379 0.000 1.266 45 I CA 1.253 62.485 61.300 -0.113 0.000 1.378 45 I CB 0.428 38.275 38.000 -0.254 0.000 1.347 45 I HN 0.601 nan 8.210 nan 0.000 0.603 46 D N 1.986 122.153 120.400 -0.388 0.000 2.755 46 D HA 0.236 4.881 4.640 0.008 0.000 0.277 46 D C -0.904 175.417 176.300 0.035 0.000 1.261 46 D CA 0.077 53.907 54.000 -0.282 0.000 0.759 46 D CB 1.079 41.832 40.800 -0.079 0.000 1.279 46 D HN 0.671 nan 8.370 nan 0.000 0.420 47 T N -1.746 112.937 114.554 0.215 0.000 2.689 47 T HA 0.196 4.551 4.350 0.008 0.000 0.308 47 T C 0.297 175.213 174.700 0.360 0.000 1.021 47 T CA -0.053 62.256 62.100 0.348 0.000 0.973 47 T CB 0.946 69.955 68.868 0.235 0.000 1.113 47 T HN 0.556 nan 8.240 nan 0.000 0.522 48 W N -0.468 120.958 121.300 0.211 0.000 4.977 48 W HA 0.259 4.923 4.660 0.008 0.000 0.185 48 W C -0.149 176.503 176.519 0.221 0.000 1.003 48 W CA 0.030 57.507 57.345 0.221 0.000 1.997 48 W CB 0.150 29.779 29.460 0.282 0.000 0.712 48 W HN 0.563 nan 8.180 nan 0.000 1.014 49 E N 1.689 122.235 120.200 0.576 0.000 2.345 49 E HA 0.023 4.378 4.350 0.008 0.000 0.259 49 E C 1.333 178.102 176.600 0.281 0.000 1.117 49 E CA -0.042 56.637 56.400 0.465 0.000 0.913 49 E CB -0.029 29.872 29.700 0.336 0.000 1.057 49 E HN 0.317 nan 8.360 nan 0.000 0.432 50 W N 2.421 123.860 121.300 0.232 0.000 2.525 50 W HA -0.071 4.594 4.660 0.008 0.000 0.259 50 W C 0.398 176.991 176.519 0.123 0.000 1.253 50 W CA 0.749 58.186 57.345 0.153 0.000 1.262 50 W CB -0.493 29.053 29.460 0.144 0.000 1.122 50 W HN 0.357 nan 8.180 nan 0.000 0.607 51 N N 0.471 118.724 118.700 -0.746 0.000 2.291 51 N HA -0.042 4.703 4.740 0.008 0.000 0.244 51 N C 0.358 175.598 175.510 -0.450 0.000 1.216 51 N CA -0.127 52.461 53.050 -0.770 0.000 0.879 51 N CB -0.622 37.029 38.487 -1.393 0.000 1.167 51 N HN -0.147 nan 8.380 nan 0.000 0.515 52 D N 1.074 121.256 120.400 -0.363 0.000 2.123 52 D HA -0.135 4.510 4.640 0.008 0.000 0.196 52 D C 2.194 177.910 176.300 -0.973 0.000 0.992 52 D CA 1.444 55.079 54.000 -0.608 0.000 0.833 52 D CB 0.009 40.433 40.800 -0.626 0.000 0.954 52 D HN 0.303 nan 8.370 nan 0.000 0.455 53 V N -0.893 118.616 119.914 -0.675 0.000 2.568 53 V HA -0.200 3.925 4.120 0.008 0.000 0.253 53 V C 2.040 177.992 176.094 -0.236 0.000 1.072 53 V CA 1.934 63.963 62.300 -0.451 0.000 1.084 53 V CB -1.140 30.590 31.823 -0.156 0.000 0.676 53 V HN 0.023 nan 8.190 nan 0.000 0.469 54 T N 1.009 115.423 114.554 -0.235 0.000 2.852 54 T HA 0.172 4.527 4.350 0.008 0.000 0.256 54 T C 1.874 176.500 174.700 -0.123 0.000 1.038 54 T CA 1.668 63.683 62.100 -0.143 0.000 1.141 54 T CB -0.253 68.528 68.868 -0.143 0.000 0.869 54 T HN 0.422 nan 8.240 nan 0.000 0.439 55 L N -0.108 121.022 121.223 -0.154 0.000 2.093 55 L HA -0.072 4.272 4.340 0.008 0.000 0.208 55 L C 2.528 179.334 176.870 -0.105 0.000 1.085 55 L CA 1.273 56.076 54.840 -0.062 0.000 0.755 55 L CB -0.740 41.360 42.059 0.070 0.000 0.904 55 L HN 0.238 nan 8.230 nan 0.000 0.435 56 Y N 0.747 120.833 120.300 -0.358 0.000 2.081 56 Y HA -0.325 4.230 4.550 0.008 0.000 0.280 56 Y C 2.554 178.260 175.900 -0.323 0.000 1.163 56 Y CA 1.480 59.335 58.100 -0.410 0.000 1.135 56 Y CB -0.989 37.277 38.460 -0.324 0.000 0.970 56 Y HN 0.297 nan 8.280 nan 0.000 0.498 57 D N -0.800 119.573 120.400 -0.044 0.000 2.123 57 D HA -0.155 4.490 4.640 0.008 0.000 0.196 57 D C 1.945 178.180 176.300 -0.108 0.000 0.992 57 D CA 2.139 56.091 54.000 -0.080 0.000 0.833 57 D CB -0.119 40.653 40.800 -0.048 0.000 0.954 57 D HN 0.279 nan 8.370 nan 0.000 0.455 58 T N 0.148 114.646 114.554 -0.093 0.000 2.746 58 T HA -0.148 4.206 4.350 0.008 0.000 0.267 58 T C 1.859 176.486 174.700 -0.121 0.000 1.039 58 T CA 1.062 63.108 62.100 -0.090 0.000 1.142 58 T CB -0.379 68.456 68.868 -0.056 0.000 0.866 58 T HN 0.113 nan 8.240 nan 0.000 0.444 59 L N 1.537 122.672 121.223 -0.147 0.000 2.005 59 L HA 0.024 4.369 4.340 0.008 0.000 0.207 59 L C 1.927 178.667 176.870 -0.216 0.000 1.072 59 L CA 1.781 56.513 54.840 -0.179 0.000 0.744 59 L CB -0.674 41.289 42.059 -0.160 0.000 0.895 59 L HN 0.218 nan 8.230 nan 0.000 0.433 60 N N -1.520 117.015 118.700 -0.274 0.000 2.520 60 N HA -0.152 4.593 4.740 0.008 0.000 0.185 60 N C 1.270 176.656 175.510 -0.206 0.000 1.068 60 N CA 1.075 53.949 53.050 -0.292 0.000 0.911 60 N CB -0.046 38.214 38.487 -0.378 0.000 0.961 60 N HN 0.605 nan 8.380 nan 0.000 0.446 61 T N -1.171 113.282 114.554 -0.168 0.000 3.023 61 T HA 0.046 4.401 4.350 0.008 0.000 0.266 61 T C 1.779 176.395 174.700 -0.140 0.000 1.093 61 T CA 0.291 62.310 62.100 -0.134 0.000 1.129 61 T CB -0.239 68.565 68.868 -0.106 0.000 0.899 61 T HN 0.142 nan 8.240 nan 0.000 0.491 62 L N 0.246 121.372 121.223 -0.162 0.000 2.261 62 L HA -0.011 4.334 4.340 0.008 0.000 0.216 62 L C 2.609 179.354 176.870 -0.209 0.000 1.114 62 L CA 1.213 55.944 54.840 -0.183 0.000 0.777 62 L CB -0.510 41.430 42.059 -0.199 0.000 0.910 62 L HN 0.263 nan 8.230 nan 0.000 0.440 63 K N -0.209 120.075 120.400 -0.192 0.000 2.504 63 K HA -0.056 4.269 4.320 0.008 0.000 0.195 63 K C 1.399 177.909 176.600 -0.149 0.000 1.036 63 K CA 0.334 56.510 56.287 -0.186 0.000 0.984 63 K CB -0.011 32.385 32.500 -0.174 0.000 0.788 63 K HN 0.271 nan 8.250 nan 0.000 0.488 64 N N 0.547 119.169 118.700 -0.130 0.000 2.446 64 N HA -0.017 4.727 4.740 0.008 0.000 0.179 64 N C 1.130 176.594 175.510 -0.076 0.000 1.054 64 N CA 0.663 53.658 53.050 -0.091 0.000 0.905 64 N CB 0.293 38.735 38.487 -0.075 0.000 0.973 64 N HN 0.204 nan 8.380 nan 0.000 0.448 65 R N -0.327 120.103 120.500 -0.116 0.000 2.175 65 R HA 0.137 4.482 4.340 0.008 0.000 0.202 65 R C 0.006 176.232 176.300 -0.123 0.000 1.018 65 R CA 0.255 56.308 56.100 -0.079 0.000 1.029 65 R CB 0.128 30.366 30.300 -0.102 0.000 0.959 65 R HN 0.008 nan 8.270 nan 0.000 0.480 66 N N 0.994 119.497 118.700 -0.329 0.000 2.682 66 N HA 0.191 4.936 4.740 0.008 0.000 0.252 66 N C -2.382 173.015 175.510 -0.188 0.000 1.081 66 N CA -2.283 50.547 53.050 -0.367 0.000 0.844 66 N CB 1.647 39.600 38.487 -0.890 0.000 1.167 66 N HN -0.249 nan 8.380 nan 0.000 0.523 67 P HA -0.024 nan 4.420 nan 0.000 0.223 67 P C 0.480 177.733 177.300 -0.078 0.000 1.144 67 P CA 1.060 64.118 63.100 -0.071 0.000 0.783 67 P CB 0.265 31.948 31.700 -0.028 0.000 0.771 68 N N -1.388 117.269 118.700 -0.072 0.000 2.424 68 N HA 0.010 4.755 4.740 0.008 0.000 0.178 68 N C 0.526 175.953 175.510 -0.139 0.000 1.060 68 N CA -0.271 52.733 53.050 -0.077 0.000 0.901 68 N CB 0.026 38.496 38.487 -0.029 0.000 0.979 68 N HN 0.084 nan 8.380 nan 0.000 0.451 69 L N 2.161 123.279 121.223 -0.176 0.000 2.506 69 L HA 0.044 4.389 4.340 0.008 0.000 0.281 69 L C -0.071 176.663 176.870 -0.227 0.000 1.228 69 L CA 1.181 55.890 54.840 -0.220 0.000 0.850 69 L CB 0.428 42.340 42.059 -0.246 0.000 1.110 69 L HN 0.025 nan 8.230 nan 0.000 0.496 70 K N 2.366 122.597 120.400 -0.281 0.000 2.426 70 K HA 0.533 4.858 4.320 0.008 0.000 0.251 70 K C -0.610 175.909 176.600 -0.135 0.000 0.941 70 K CA -0.543 55.598 56.287 -0.242 0.000 0.808 70 K CB 2.370 34.621 32.500 -0.414 0.000 1.265 70 K HN 0.774 nan 8.250 nan 0.000 0.432 71 T N -0.846 113.689 114.554 -0.030 0.000 2.906 71 T HA 0.786 5.141 4.350 0.008 0.000 0.295 71 T C -0.618 174.266 174.700 0.307 0.000 1.061 71 T CA -0.841 61.316 62.100 0.095 0.000 1.000 71 T CB 1.285 70.141 68.868 -0.020 0.000 1.103 71 T HN 0.270 nan 8.240 nan 0.000 0.486 72 L N 0.969 122.421 121.223 0.381 0.000 2.415 72 L HA 0.717 5.062 4.340 0.008 0.000 0.256 72 L C -1.318 175.579 176.870 0.046 0.000 1.010 72 L CA -0.963 54.037 54.840 0.266 0.000 0.826 72 L CB 2.165 44.337 42.059 0.188 0.000 1.405 72 L HN 0.688 nan 8.230 nan 0.000 0.410 73 L N 0.746 121.753 121.223 -0.360 0.000 2.296 73 L HA 0.688 5.033 4.340 0.008 0.000 0.286 73 L C -0.074 176.785 176.870 -0.019 0.000 1.023 73 L CA 0.271 54.858 54.840 -0.422 0.000 0.812 73 L CB 1.650 43.226 42.059 -0.805 0.000 1.223 73 L HN 0.602 nan 8.230 nan 0.000 0.421 74 S N 3.556 119.350 115.700 0.156 0.000 2.585 74 S HA 0.764 5.239 4.470 0.008 0.000 0.277 74 S C -0.743 174.032 174.600 0.292 0.000 1.241 74 S CA -0.596 57.774 58.200 0.284 0.000 1.041 74 S CB 0.915 64.415 63.200 0.500 0.000 0.987 74 S HN 0.448 nan 8.310 nan 0.000 0.512 75 V N 4.218 124.265 119.914 0.222 0.000 2.459 75 V HA 0.859 4.984 4.120 0.008 0.000 0.295 75 V C 1.110 177.159 176.094 -0.076 0.000 1.029 75 V CA 0.306 62.674 62.300 0.113 0.000 0.874 75 V CB 0.276 32.212 31.823 0.189 0.000 0.985 75 V HN 1.332 nan 8.190 nan 0.000 0.438 76 G N 2.931 111.445 108.800 -0.477 0.000 2.715 76 G HA2 0.465 4.430 3.960 0.008 0.000 0.221 76 G HA3 0.465 4.430 3.960 0.008 0.000 0.221 76 G C 0.356 174.707 174.900 -0.916 0.000 1.204 76 G CA -0.030 44.564 45.100 -0.843 0.000 1.063 76 G HN 2.551 nan 8.290 nan 0.000 0.586 77 G N -2.935 105.142 108.800 -1.205 0.000 2.434 77 G HA2 0.136 4.101 3.960 0.008 0.000 0.671 77 G HA3 0.136 4.101 3.960 0.008 0.000 0.671 77 G C 0.545 174.902 174.900 -0.905 0.000 1.280 77 G CA 0.542 44.399 45.100 -2.072 0.000 0.975 77 G HN 1.303 nan 8.290 nan 0.000 0.510 78 W N 0.096 121.139 121.300 -0.428 0.000 2.476 78 W HA 0.012 4.677 4.660 0.009 0.000 0.281 78 W C 1.956 178.421 176.519 -0.090 0.000 1.230 78 W CA 1.189 58.414 57.345 -0.200 0.000 1.287 78 W CB -0.307 29.061 29.460 -0.154 0.000 1.108 78 W HN 0.569 nan 8.180 nan 0.000 0.567 79 N N -0.280 118.505 118.700 0.142 0.000 2.375 79 N HA 0.013 4.757 4.740 0.008 0.000 0.220 79 N C -0.770 174.929 175.510 0.316 0.000 1.170 79 N CA 0.006 53.164 53.050 0.179 0.000 0.833 79 N CB -0.379 38.195 38.487 0.145 0.000 1.069 79 N HN -0.165 nan 8.380 nan 0.000 0.479 80 F N 0.751 120.742 119.950 0.068 0.000 2.500 80 F HA 0.457 4.989 4.527 0.008 0.000 0.349 80 F C 0.518 176.316 175.800 -0.004 0.000 1.127 80 F CA -1.185 56.852 58.000 0.062 0.000 0.998 80 F CB 0.670 39.691 39.000 0.035 0.000 1.237 80 F HN -0.074 nan 8.300 nan 0.000 0.439 81 G N 6.602 115.237 108.800 -0.276 0.000 2.225 81 G HA2 0.152 4.117 3.960 0.008 0.000 0.245 81 G HA3 0.152 4.117 3.960 0.008 0.000 0.245 81 G C -2.057 172.811 174.900 -0.053 0.000 1.249 81 G CA -0.836 44.170 45.100 -0.157 0.000 0.919 81 G HN 0.566 nan 8.290 nan 0.000 0.486 82 P HA -0.117 nan 4.420 nan 0.000 0.218 82 P C 1.703 179.110 177.300 0.179 0.000 1.149 82 P CA 0.880 64.164 63.100 0.306 0.000 0.817 82 P CB 0.262 32.206 31.700 0.408 0.000 0.785 83 Q N -0.044 119.797 119.800 0.068 0.000 2.096 83 Q HA -0.210 4.135 4.340 0.008 0.000 0.208 83 Q C 2.182 178.132 176.000 -0.084 0.000 0.993 83 Q CA 1.815 57.623 55.803 0.009 0.000 0.862 83 Q CB -0.884 27.829 28.738 -0.042 0.000 0.915 83 Q HN 0.296 nan 8.270 nan 0.000 0.416 84 R N -0.718 119.653 120.500 -0.215 0.000 2.096 84 R HA -0.158 4.187 4.340 0.008 0.000 0.240 84 R C 2.171 178.271 176.300 -0.334 0.000 1.139 84 R CA 1.520 57.403 56.100 -0.363 0.000 0.952 84 R CB -0.590 29.259 30.300 -0.752 0.000 0.854 84 R HN 0.196 nan 8.270 nan 0.000 0.436 85 F N 1.026 120.763 119.950 -0.355 0.000 2.102 85 F HA -0.236 4.296 4.527 0.008 0.000 0.298 85 F C 2.899 178.226 175.800 -0.789 0.000 1.105 85 F CA 1.695 59.227 58.000 -0.779 0.000 1.239 85 F CB -0.739 37.221 39.000 -1.734 0.000 0.991 85 F HN -0.030 nan 8.300 nan 0.000 0.474 86 S N -0.324 115.236 115.700 -0.234 0.000 2.359 86 S HA -0.306 4.169 4.470 0.008 0.000 0.222 86 S C 2.209 176.798 174.600 -0.019 0.000 1.038 86 S CA 1.961 60.207 58.200 0.077 0.000 1.051 86 S CB -0.346 63.012 63.200 0.263 0.000 0.944 86 S HN 0.248 nan 8.310 nan 0.000 0.433 87 K N 0.529 120.884 120.400 -0.075 0.000 2.113 87 K HA -0.006 4.319 4.320 0.008 0.000 0.208 87 K C 1.941 178.462 176.600 -0.131 0.000 1.047 87 K CA 1.578 57.806 56.287 -0.098 0.000 0.928 87 K CB -0.216 32.214 32.500 -0.116 0.000 0.716 87 K HN 0.407 nan 8.250 nan 0.000 0.446 88 I N -0.190 120.267 120.570 -0.188 0.000 2.286 88 I HA -0.172 4.003 4.170 0.008 0.000 0.245 88 I C 2.178 178.217 176.117 -0.130 0.000 1.104 88 I CA 1.245 62.426 61.300 -0.199 0.000 1.397 88 I CB -0.754 37.037 38.000 -0.347 0.000 1.072 88 I HN 0.153 nan 8.210 nan 0.000 0.417 89 A N 0.089 122.845 122.820 -0.107 0.000 2.066 89 A HA -0.083 4.242 4.320 0.008 0.000 0.218 89 A C 2.437 179.969 177.584 -0.087 0.000 1.157 89 A CA 1.309 53.349 52.037 0.004 0.000 0.670 89 A CB -0.405 18.699 19.000 0.173 0.000 0.804 89 A HN 0.362 nan 8.150 nan 0.000 0.453 90 S N -0.213 115.359 115.700 -0.214 0.000 2.428 90 S HA 0.008 4.483 4.470 0.008 0.000 0.230 90 S C 0.676 175.107 174.600 -0.281 0.000 1.014 90 S CA 0.713 58.622 58.200 -0.485 0.000 0.957 90 S CB -0.022 62.989 63.200 -0.314 0.000 0.784 90 S HN 0.565 nan 8.310 nan 0.000 0.499 91 K N 2.116 122.427 120.400 -0.148 0.000 2.316 91 K HA 0.199 4.524 4.320 0.008 0.000 0.267 91 K C 1.071 177.640 176.600 -0.051 0.000 1.025 91 K CA -0.074 56.160 56.287 -0.088 0.000 0.896 91 K CB 1.201 33.660 32.500 -0.067 0.000 1.124 91 K HN 0.200 nan 8.250 nan 0.000 0.451 92 T N -0.495 114.039 114.554 -0.033 0.000 2.848 92 T HA -0.261 4.094 4.350 0.008 0.000 0.269 92 T C 1.625 176.327 174.700 0.004 0.000 1.081 92 T CA 1.316 63.413 62.100 -0.004 0.000 1.125 92 T CB -0.031 68.840 68.868 0.004 0.000 0.848 92 T HN 0.334 nan 8.240 nan 0.000 0.503 93 Q N 1.018 120.815 119.800 -0.005 0.000 2.089 93 Q HA 0.151 4.496 4.340 0.008 0.000 0.195 93 Q C 2.755 178.759 176.000 0.007 0.000 0.963 93 Q CA 1.605 57.409 55.803 0.001 0.000 0.834 93 Q CB -0.567 28.168 28.738 -0.006 0.000 0.906 93 Q HN 0.685 nan 8.270 nan 0.000 0.452 94 S N 0.397 116.094 115.700 -0.006 0.000 2.356 94 S HA -0.167 4.308 4.470 0.008 0.000 0.223 94 S C 1.872 176.499 174.600 0.045 0.000 1.032 94 S CA 1.339 59.537 58.200 -0.004 0.000 1.005 94 S CB -0.283 62.888 63.200 -0.048 0.000 0.867 94 S HN 0.338 nan 8.310 nan 0.000 0.449 95 R N 1.813 122.340 120.500 0.044 0.000 2.097 95 R HA -0.175 4.170 4.340 0.008 0.000 0.236 95 R C 2.620 179.000 176.300 0.133 0.000 1.135 95 R CA 1.897 58.065 56.100 0.113 0.000 0.934 95 R CB -0.314 30.032 30.300 0.077 0.000 0.846 95 R HN 0.509 nan 8.270 nan 0.000 0.431 96 R N -0.522 120.020 120.500 0.070 0.000 2.127 96 R HA -0.090 4.255 4.340 0.008 0.000 0.238 96 R C 1.652 177.981 176.300 0.050 0.000 1.134 96 R CA 2.020 58.149 56.100 0.047 0.000 0.975 96 R CB -0.574 29.742 30.300 0.027 0.000 0.865 96 R HN 0.158 nan 8.270 nan 0.000 0.447 97 T N 0.827 115.421 114.554 0.067 0.000 2.812 97 T HA -0.094 4.261 4.350 0.008 0.000 0.264 97 T C 1.198 175.955 174.700 0.095 0.000 1.042 97 T CA 1.327 63.464 62.100 0.062 0.000 1.140 97 T CB -0.327 68.571 68.868 0.051 0.000 0.870 97 T HN 0.323 nan 8.240 nan 0.000 0.445 98 F N 2.092 122.029 119.950 -0.021 0.000 2.075 98 F HA -0.053 4.478 4.527 0.008 0.000 0.297 98 F C 1.935 177.735 175.800 0.000 0.000 1.113 98 F CA 0.892 58.877 58.000 -0.026 0.000 1.218 98 F CB -0.787 38.189 39.000 -0.040 0.000 0.984 98 F HN 0.086 nan 8.300 nan 0.000 0.472 99 I N 0.435 120.906 120.570 -0.165 0.000 2.068 99 I HA -0.386 3.789 4.170 0.008 0.000 0.238 99 I C 2.356 178.374 176.117 -0.164 0.000 1.046 99 I CA 2.044 63.181 61.300 -0.272 0.000 1.306 99 I CB -0.663 37.285 38.000 -0.085 0.000 1.023 99 I HN 0.074 nan 8.210 nan 0.000 0.399 100 K N 0.676 121.039 120.400 -0.062 0.000 2.442 100 K HA -0.136 4.189 4.320 0.008 0.000 0.199 100 K C 1.868 178.459 176.600 -0.014 0.000 1.044 100 K CA 1.326 57.603 56.287 -0.017 0.000 0.941 100 K CB -0.137 32.365 32.500 0.004 0.000 0.759 100 K HN 0.428 nan 8.250 nan 0.000 0.472 101 S N -1.493 114.174 115.700 -0.055 0.000 2.575 101 S HA 0.043 4.518 4.470 0.008 0.000 0.215 101 S C 1.553 176.139 174.600 -0.024 0.000 0.966 101 S CA -0.053 58.131 58.200 -0.027 0.000 0.911 101 S CB 0.254 63.436 63.200 -0.030 0.000 0.780 101 S HN -0.023 nan 8.310 nan 0.000 0.514 102 V N 2.443 122.318 119.914 -0.066 0.000 2.300 102 V HA 0.098 4.223 4.120 0.008 0.000 0.241 102 V C -0.512 175.656 176.094 0.124 0.000 1.034 102 V CA 0.880 63.187 62.300 0.012 0.000 1.021 102 V CB -1.467 30.337 31.823 -0.032 0.000 0.662 102 V HN 0.308 nan 8.190 nan 0.000 0.458 103 P HA -0.173 nan 4.420 nan 0.000 0.216 103 P C -1.328 175.995 177.300 0.038 0.000 1.167 103 P CA 2.411 65.525 63.100 0.025 0.000 0.914 103 P CB -1.410 30.313 31.700 0.038 0.000 0.793 104 P HA -0.191 nan 4.420 nan 0.000 0.218 104 P C 1.575 178.936 177.300 0.101 0.000 1.148 104 P CA 1.253 64.388 63.100 0.057 0.000 0.822 104 P CB -0.484 31.254 31.700 0.062 0.000 0.784 105 F N 0.644 120.610 119.950 0.027 0.000 2.146 105 F HA -0.131 4.401 4.527 0.008 0.000 0.298 105 F C 2.032 177.908 175.800 0.126 0.000 1.096 105 F CA 1.260 59.318 58.000 0.096 0.000 1.275 105 F CB -0.913 38.165 39.000 0.130 0.000 1.008 105 F HN -0.285 nan 8.300 nan 0.000 0.480 106 L N 0.117 121.421 121.223 0.135 0.000 2.005 106 L HA -0.129 4.216 4.340 0.008 0.000 0.207 106 L C 2.497 179.366 176.870 -0.002 0.000 1.072 106 L CA 1.475 56.359 54.840 0.073 0.000 0.744 106 L CB -1.275 40.821 42.059 0.061 0.000 0.895 106 L HN -0.067 nan 8.230 nan 0.000 0.433 107 R N -0.701 119.773 120.500 -0.043 0.000 2.103 107 R HA -0.149 4.196 4.340 0.008 0.000 0.242 107 R C 2.317 178.537 176.300 -0.133 0.000 1.142 107 R CA 1.836 57.889 56.100 -0.078 0.000 0.960 107 R CB -1.263 28.997 30.300 -0.067 0.000 0.858 107 R HN 0.325 nan 8.270 nan 0.000 0.439 108 T N -0.266 114.161 114.554 -0.210 0.000 2.737 108 T HA -0.086 4.269 4.350 0.008 0.000 0.265 108 T C 0.935 175.362 174.700 -0.454 0.000 1.038 108 T CA 1.293 63.169 62.100 -0.372 0.000 1.144 108 T CB -0.185 68.342 68.868 -0.568 0.000 0.866 108 T HN 0.356 nan 8.240 nan 0.000 0.434 109 H N -0.326 118.633 119.070 -0.184 0.000 2.517 109 H HA 0.366 4.928 4.556 0.008 0.000 0.282 109 H C 1.758 176.920 175.328 -0.276 0.000 1.023 109 H CA 0.467 56.405 56.048 -0.183 0.000 1.169 109 H CB 0.070 29.722 29.762 -0.184 0.000 1.454 109 H HN 0.532 nan 8.280 nan 0.000 0.556 110 G N 0.836 109.544 108.800 -0.152 0.000 2.143 110 G HA2 -0.272 3.693 3.960 0.008 0.000 0.249 110 G HA3 -0.272 3.693 3.960 0.008 0.000 0.249 110 G C -0.090 174.635 174.900 -0.292 0.000 0.981 110 G CA -0.234 44.725 45.100 -0.236 0.000 0.665 110 G HN 0.204 nan 8.290 nan 0.000 0.528 111 F N 0.767 120.632 119.950 -0.141 0.000 2.382 111 F HA 0.452 4.983 4.527 0.008 0.000 0.331 111 F C 1.349 177.087 175.800 -0.103 0.000 1.121 111 F CA -0.133 57.794 58.000 -0.123 0.000 1.183 111 F CB 0.842 39.766 39.000 -0.128 0.000 1.207 111 F HN -0.033 nan 8.300 nan 0.000 0.555 112 D N 0.614 121.103 120.400 0.149 0.000 2.407 112 D HA 0.242 4.887 4.640 0.008 0.000 0.208 112 D C 0.692 177.020 176.300 0.047 0.000 1.083 112 D CA 0.441 54.470 54.000 0.050 0.000 0.844 112 D CB 0.880 41.699 40.800 0.031 0.000 0.967 112 D HN 0.621 nan 8.370 nan 0.000 0.506 113 G N 0.457 109.315 108.800 0.097 0.000 2.559 113 G HA2 0.462 4.427 3.960 0.008 0.000 0.291 113 G HA3 0.462 4.427 3.960 0.008 0.000 0.291 113 G C -2.212 172.738 174.900 0.085 0.000 1.424 113 G CA -0.711 44.432 45.100 0.073 0.000 0.786 113 G HN 0.053 nan 8.290 nan 0.000 0.485 114 L N -0.077 121.244 121.223 0.162 0.000 2.354 114 L HA 0.866 5.211 4.340 0.008 0.000 0.269 114 L C -1.358 175.592 176.870 0.134 0.000 1.005 114 L CA -0.634 54.299 54.840 0.155 0.000 0.819 114 L CB 2.394 44.624 42.059 0.285 0.000 1.311 114 L HN 0.591 nan 8.230 nan 0.000 0.423 115 D N 3.337 123.806 120.400 0.117 0.000 2.492 115 D HA 0.387 5.032 4.640 0.008 0.000 0.248 115 D C -1.278 175.108 176.300 0.143 0.000 1.101 115 D CA -0.211 53.852 54.000 0.106 0.000 0.840 115 D CB 1.179 42.067 40.800 0.146 0.000 1.209 115 D HN 0.550 nan 8.370 nan 0.000 0.524 116 L N 3.353 124.638 121.223 0.102 0.000 2.283 116 L HA 0.529 4.874 4.340 0.008 0.000 0.287 116 L C 0.414 177.307 176.870 0.039 0.000 1.073 116 L CA -0.595 54.303 54.840 0.097 0.000 0.822 116 L CB 1.287 43.388 42.059 0.070 0.000 1.186 116 L HN 0.591 nan 8.230 nan 0.000 0.436 117 A N 4.302 127.125 122.820 0.006 0.000 3.213 117 A HA 0.093 4.418 4.320 0.008 0.000 0.308 117 A C -0.256 177.190 177.584 -0.231 0.000 1.177 117 A CA -0.526 51.438 52.037 -0.121 0.000 1.010 117 A CB -0.189 18.714 19.000 -0.160 0.000 1.092 117 A HN 0.764 nan 8.150 nan 0.000 0.583 118 W N 2.024 122.981 121.300 -0.570 0.000 2.858 118 W HA 0.120 4.785 4.660 0.008 0.000 0.382 118 W C -0.671 175.610 176.519 -0.396 0.000 1.324 118 W CA -0.367 56.489 57.345 -0.816 0.000 1.444 118 W CB -0.309 28.513 29.460 -1.064 0.000 1.577 118 W HN 0.356 nan 8.180 nan 0.000 0.532 119 L N 9.328 130.538 121.223 -0.022 0.000 2.462 119 L HA 0.019 4.364 4.340 0.008 0.000 0.283 119 L C -0.135 176.662 176.870 -0.121 0.000 1.166 119 L CA 0.046 54.657 54.840 -0.382 0.000 0.964 119 L CB -0.983 40.648 42.059 -0.714 0.000 1.294 119 L HN 0.406 nan 8.230 nan 0.000 0.449 120 Y N 1.723 122.014 120.300 -0.016 0.000 2.852 120 Y HA -0.155 4.400 4.550 0.008 0.000 0.052 120 Y C -2.120 173.594 175.900 -0.309 0.000 2.087 120 Y CA -1.231 56.798 58.100 -0.119 0.000 1.143 120 Y CB -0.972 37.490 38.460 0.003 0.000 1.819 120 Y HN 0.461 nan 8.280 nan 0.000 0.299 121 P HA 0.350 nan 4.420 nan 0.000 0.279 121 P C 0.411 177.413 177.300 -0.496 0.000 1.252 121 P CA 0.108 62.655 63.100 -0.921 0.000 0.811 121 P CB 1.507 32.266 31.700 -1.569 0.000 1.035 122 G N 0.518 109.131 108.800 -0.311 0.000 2.705 122 G HA2 0.244 4.209 3.960 0.008 0.000 0.299 122 G HA3 0.244 4.209 3.960 0.008 0.000 0.299 122 G C 0.865 175.645 174.900 -0.199 0.000 1.315 122 G CA -0.662 44.325 45.100 -0.189 0.000 1.045 122 G HN 0.464 nan 8.290 nan 0.000 0.517 123 R N -0.608 119.812 120.500 -0.132 0.000 2.103 123 R HA -0.067 4.278 4.340 0.008 0.000 0.242 123 R C 2.195 178.427 176.300 -0.113 0.000 1.142 123 R CA 1.237 57.266 56.100 -0.118 0.000 0.960 123 R CB -0.135 30.119 30.300 -0.077 0.000 0.858 123 R HN 0.452 nan 8.270 nan 0.000 0.439 124 R N -0.074 120.383 120.500 -0.071 0.000 2.328 124 R HA -0.009 4.336 4.340 0.008 0.000 0.206 124 R C 0.201 176.476 176.300 -0.042 0.000 0.990 124 R CA 0.375 56.453 56.100 -0.038 0.000 1.085 124 R CB 0.270 30.586 30.300 0.027 0.000 0.998 124 R HN 0.309 nan 8.270 nan 0.000 0.484 125 D N -0.424 119.901 120.400 -0.124 0.000 2.479 125 D HA -0.014 4.631 4.640 0.008 0.000 0.216 125 D C 1.264 177.395 176.300 -0.282 0.000 1.110 125 D CA 0.046 53.975 54.000 -0.119 0.000 0.841 125 D CB 0.442 41.137 40.800 -0.175 0.000 1.040 125 D HN 0.055 nan 8.370 nan 0.000 0.505 126 K N 1.828 122.043 120.400 -0.308 0.000 2.000 126 K HA -0.198 4.127 4.320 0.008 0.000 0.218 126 K C 2.104 178.567 176.600 -0.229 0.000 1.053 126 K CA 1.300 57.422 56.287 -0.275 0.000 0.946 126 K CB 0.118 32.493 32.500 -0.209 0.000 0.723 126 K HN -0.105 nan 8.250 nan 0.000 0.446 127 R N -0.537 119.782 120.500 -0.300 0.000 2.133 127 R HA -0.197 4.148 4.340 0.008 0.000 0.247 127 R C 2.112 178.296 176.300 -0.193 0.000 1.151 127 R CA 2.082 58.009 56.100 -0.288 0.000 0.971 127 R CB -0.183 29.875 30.300 -0.404 0.000 0.866 127 R HN 0.502 nan 8.270 nan 0.000 0.447 128 H N -0.549 118.545 119.070 0.041 0.000 2.497 128 H HA -0.021 4.540 4.556 0.008 0.000 0.282 128 H C 2.021 177.433 175.328 0.141 0.000 1.003 128 H CA 0.536 56.645 56.048 0.101 0.000 1.307 128 H CB -0.153 29.705 29.762 0.159 0.000 1.437 128 H HN 0.234 nan 8.280 nan 0.000 0.544 129 L N 0.776 122.098 121.223 0.165 0.000 2.017 129 L HA -0.165 4.180 4.340 0.008 0.000 0.208 129 L C 1.955 178.890 176.870 0.108 0.000 1.073 129 L CA 1.485 56.399 54.840 0.124 0.000 0.745 129 L CB -0.348 41.612 42.059 -0.165 0.000 0.894 129 L HN 0.175 nan 8.230 nan 0.000 0.432 130 T N -0.854 113.733 114.554 0.056 0.000 2.803 130 T HA -0.164 4.191 4.350 0.008 0.000 0.269 130 T C 1.678 176.429 174.700 0.084 0.000 1.052 130 T CA 1.752 63.894 62.100 0.069 0.000 1.136 130 T CB -0.233 68.660 68.868 0.042 0.000 0.864 130 T HN 0.463 nan 8.240 nan 0.000 0.467 131 T N 2.366 116.980 114.554 0.100 0.000 2.668 131 T HA 0.004 4.359 4.350 0.008 0.000 0.258 131 T C 1.876 176.618 174.700 0.071 0.000 1.051 131 T CA 0.736 62.888 62.100 0.087 0.000 1.155 131 T CB -0.636 68.311 68.868 0.132 0.000 0.864 131 T HN 0.109 nan 8.240 nan 0.000 0.413 132 L N 1.598 122.897 121.223 0.127 0.000 2.030 132 L HA -0.193 4.152 4.340 0.008 0.000 0.222 132 L C 2.455 179.357 176.870 0.054 0.000 1.082 132 L CA 1.793 56.713 54.840 0.132 0.000 0.785 132 L CB -1.045 41.151 42.059 0.229 0.000 0.895 132 L HN 0.129 nan 8.230 nan 0.000 0.439 133 V N -0.643 119.304 119.914 0.055 0.000 2.295 133 V HA -0.319 3.806 4.120 0.008 0.000 0.246 133 V C 2.580 178.605 176.094 -0.116 0.000 1.049 133 V CA 2.142 64.442 62.300 0.001 0.000 1.024 133 V CB -0.641 31.224 31.823 0.071 0.000 0.648 133 V HN 0.476 nan 8.190 nan 0.000 0.447 134 K N 0.047 120.361 120.400 -0.143 0.000 1.987 134 K HA -0.244 4.081 4.320 0.008 0.000 0.216 134 K C 2.171 178.606 176.600 -0.275 0.000 1.051 134 K CA 2.212 58.276 56.287 -0.371 0.000 0.942 134 K CB -0.336 32.030 32.500 -0.224 0.000 0.722 134 K HN 0.586 nan 8.250 nan 0.000 0.444 135 E N 0.482 120.594 120.200 -0.147 0.000 2.077 135 E HA -0.240 4.115 4.350 0.008 0.000 0.193 135 E C 2.030 178.533 176.600 -0.162 0.000 0.989 135 E CA 1.310 57.642 56.400 -0.113 0.000 0.800 135 E CB -0.196 29.475 29.700 -0.048 0.000 0.746 135 E HN 0.200 nan 8.360 nan 0.000 0.452 136 M N 1.676 121.157 119.600 -0.198 0.000 2.080 136 M HA -0.205 4.280 4.480 0.008 0.000 0.260 136 M C 2.071 178.043 176.300 -0.546 0.000 1.068 136 M CA 1.743 56.822 55.300 -0.367 0.000 1.109 136 M CB -0.035 32.347 32.600 -0.364 0.000 1.342 136 M HN -0.182 nan 8.290 nan 0.000 0.405 137 K N -0.010 120.154 120.400 -0.393 0.000 2.217 137 K HA 0.136 4.461 4.320 0.008 0.000 0.202 137 K C 1.698 178.221 176.600 -0.130 0.000 1.051 137 K CA 1.435 57.553 56.287 -0.280 0.000 0.952 137 K CB -0.544 31.857 32.500 -0.165 0.000 0.736 137 K HN 0.410 nan 8.250 nan 0.000 0.453 138 A N 0.244 122.977 122.820 -0.144 0.000 2.014 138 A HA -0.100 4.225 4.320 0.008 0.000 0.218 138 A C 2.046 179.624 177.584 -0.010 0.000 1.163 138 A CA 1.662 53.660 52.037 -0.065 0.000 0.652 138 A CB -0.479 18.475 19.000 -0.077 0.000 0.808 138 A HN 0.452 nan 8.150 nan 0.000 0.449 139 E N -0.477 119.706 120.200 -0.028 0.000 2.046 139 E HA -0.107 4.248 4.350 0.008 0.000 0.190 139 E C 1.497 178.225 176.600 0.214 0.000 0.982 139 E CA 1.115 57.550 56.400 0.059 0.000 0.800 139 E CB -0.460 29.257 29.700 0.027 0.000 0.756 139 E HN 0.429 nan 8.360 nan 0.000 0.449 140 F N 0.566 120.509 119.950 -0.012 0.000 2.236 140 F HA -0.102 4.429 4.527 0.008 0.000 0.302 140 F C 2.136 177.940 175.800 0.007 0.000 1.073 140 F CA 0.788 58.788 58.000 0.000 0.000 1.336 140 F CB -0.556 38.449 39.000 0.007 0.000 1.040 140 F HN 0.149 nan 8.300 nan 0.000 0.507 141 I N -1.045 119.639 120.570 0.190 0.000 2.584 141 I HA -0.158 4.017 4.170 0.008 0.000 0.255 141 I C 2.471 178.634 176.117 0.076 0.000 1.145 141 I CA 0.526 61.892 61.300 0.111 0.000 1.462 141 I CB -0.254 37.795 38.000 0.081 0.000 1.102 141 I HN -0.076 nan 8.210 nan 0.000 0.433 142 R N 0.726 121.269 120.500 0.073 0.000 2.237 142 R HA -0.142 4.203 4.340 0.008 0.000 0.219 142 R C 2.117 178.446 176.300 0.047 0.000 1.080 142 R CA 0.938 57.068 56.100 0.050 0.000 0.995 142 R CB 0.069 30.394 30.300 0.042 0.000 0.875 142 R HN 0.248 nan 8.270 nan 0.000 0.462 143 E N -0.512 119.725 120.200 0.061 0.000 2.400 143 E HA 0.008 4.363 4.350 0.008 0.000 0.195 143 E C 1.158 177.768 176.600 0.018 0.000 1.012 143 E CA 0.499 56.921 56.400 0.037 0.000 0.875 143 E CB 0.359 30.083 29.700 0.041 0.000 0.859 143 E HN 0.378 nan 8.360 nan 0.000 0.498 144 A N 0.789 123.623 122.820 0.025 0.000 2.172 144 A HA -0.119 4.206 4.320 0.008 0.000 0.216 144 A C 1.915 179.506 177.584 0.011 0.000 1.154 144 A CA 0.591 52.635 52.037 0.012 0.000 0.701 144 A CB -0.295 18.718 19.000 0.022 0.000 0.789 144 A HN 0.241 nan 8.150 nan 0.000 0.465 145 Q N -0.650 119.160 119.800 0.016 0.000 2.226 145 Q HA -0.095 4.250 4.340 0.008 0.000 0.204 145 Q C 2.128 178.132 176.000 0.007 0.000 0.975 145 Q CA 1.071 56.882 55.803 0.013 0.000 0.866 145 Q CB -0.315 28.433 28.738 0.016 0.000 0.915 145 Q HN 0.708 nan 8.270 nan 0.000 0.440 146 A N 0.111 122.933 122.820 0.004 0.000 2.216 146 A HA 0.134 4.459 4.320 0.008 0.000 0.214 146 A C 1.415 178.996 177.584 -0.006 0.000 1.160 146 A CA 0.991 53.027 52.037 -0.002 0.000 0.725 146 A CB -0.382 18.615 19.000 -0.005 0.000 0.784 146 A HN 0.467 nan 8.150 nan 0.000 0.472 147 G N -1.135 107.662 108.800 -0.005 0.000 2.140 147 G HA2 -0.092 3.873 3.960 0.008 0.000 0.211 147 G HA3 -0.092 3.873 3.960 0.008 0.000 0.211 147 G C 0.172 175.064 174.900 -0.012 0.000 1.013 147 G CA 0.505 45.602 45.100 -0.006 0.000 0.705 147 G HN 1.557 nan 8.290 nan 0.000 0.508 148 T N -2.753 111.792 114.554 -0.015 0.000 2.906 148 T HA 0.672 5.027 4.350 0.008 0.000 0.295 148 T C -0.153 174.533 174.700 -0.023 0.000 1.061 148 T CA -0.303 61.783 62.100 -0.023 0.000 1.000 148 T CB 2.552 71.400 68.868 -0.033 0.000 1.103 148 T HN 0.414 nan 8.240 nan 0.000 0.486 149 E N 1.581 121.766 120.200 -0.025 0.000 2.694 149 E HA -0.065 4.290 4.350 0.008 0.000 0.250 149 E C 0.327 176.910 176.600 -0.028 0.000 0.963 149 E CA 0.074 56.462 56.400 -0.020 0.000 0.949 149 E CB 0.363 30.050 29.700 -0.022 0.000 0.911 149 E HN 0.578 nan 8.360 nan 0.000 0.500 150 Q N 3.752 123.546 119.800 -0.010 0.000 2.304 150 Q HA -0.038 4.307 4.340 0.008 0.000 0.301 150 Q C -0.443 175.532 176.000 -0.042 0.000 1.063 150 Q CA 0.026 55.822 55.803 -0.012 0.000 0.947 150 Q CB 0.523 29.283 28.738 0.035 0.000 1.201 150 Q HN 0.570 nan 8.270 nan 0.000 0.389 151 L N 3.879 125.011 121.223 -0.151 0.000 2.452 151 L HA 0.196 4.541 4.340 0.008 0.000 0.267 151 L C 0.049 176.882 176.870 -0.061 0.000 1.188 151 L CA -0.277 54.398 54.840 -0.275 0.000 0.821 151 L CB 0.398 41.933 42.059 -0.873 0.000 1.102 151 L HN 0.583 nan 8.230 nan 0.000 0.470 152 L N 2.529 123.774 121.223 0.036 0.000 2.360 152 L HA 0.484 4.829 4.340 0.008 0.000 0.271 152 L C -0.674 176.368 176.870 0.286 0.000 1.057 152 L CA -0.629 54.325 54.840 0.190 0.000 0.803 152 L CB 1.590 43.789 42.059 0.234 0.000 1.207 152 L HN 0.345 nan 8.230 nan 0.000 0.445 153 L N 2.112 123.471 121.223 0.226 0.000 2.439 153 L HA 0.586 4.931 4.340 0.008 0.000 0.270 153 L C -0.525 176.295 176.870 -0.084 0.000 0.972 153 L CA 0.103 55.038 54.840 0.158 0.000 0.836 153 L CB 1.749 43.885 42.059 0.128 0.000 1.255 153 L HN 0.701 nan 8.230 nan 0.000 0.404 154 S N 3.453 119.042 115.700 -0.185 0.000 2.627 154 S HA 1.035 5.510 4.470 0.008 0.000 0.283 154 S C -0.925 173.550 174.600 -0.208 0.000 1.127 154 S CA -0.239 57.699 58.200 -0.436 0.000 0.863 154 S CB 1.910 64.508 63.200 -1.003 0.000 1.121 154 S HN 1.230 nan 8.310 nan 0.000 0.479 155 A N 0.473 123.182 122.820 -0.186 0.000 2.449 155 A HA 0.901 5.226 4.320 0.008 0.000 0.302 155 A C -0.398 177.176 177.584 -0.018 0.000 1.048 155 A CA -0.566 51.438 52.037 -0.055 0.000 0.708 155 A CB 1.389 20.371 19.000 -0.028 0.000 1.274 155 A HN 1.821 nan 8.150 nan 0.000 0.410 156 A N 1.972 124.810 122.820 0.031 0.000 2.253 156 A HA 0.617 4.942 4.320 0.008 0.000 0.316 156 A C -0.291 177.291 177.584 -0.004 0.000 1.327 156 A CA -0.302 51.765 52.037 0.050 0.000 0.917 156 A CB -0.030 19.010 19.000 0.066 0.000 1.162 156 A HN 1.028 nan 8.150 nan 0.000 0.535 157 V N 2.301 122.179 119.914 -0.060 0.000 2.850 157 V HA 0.569 4.694 4.120 0.008 0.000 0.315 157 V C 0.951 177.001 176.094 -0.073 0.000 1.064 157 V CA -0.158 62.023 62.300 -0.197 0.000 0.979 157 V CB 2.008 33.565 31.823 -0.443 0.000 1.039 157 V HN 1.060 nan 8.190 nan 0.000 0.452 158 S N 1.905 117.582 115.700 -0.039 0.000 2.632 158 S HA 0.612 5.087 4.470 0.008 0.000 0.267 158 S C 0.409 174.990 174.600 -0.031 0.000 1.276 158 S CA 0.146 58.365 58.200 0.031 0.000 0.998 158 S CB 1.546 64.668 63.200 -0.129 0.000 0.953 158 S HN 1.236 nan 8.310 nan 0.000 0.547 159 A N 0.791 123.627 122.820 0.026 0.000 2.594 159 A HA 0.587 4.912 4.320 0.008 0.000 0.287 159 A C 0.771 178.551 177.584 0.327 0.000 1.227 159 A CA -0.150 51.984 52.037 0.161 0.000 0.952 159 A CB -0.558 18.542 19.000 0.167 0.000 1.161 159 A HN 1.142 nan 8.150 nan 0.000 0.524 160 G N 0.216 109.135 108.800 0.197 0.000 2.377 160 G HA2 0.393 4.358 3.960 0.008 0.000 0.316 160 G HA3 0.393 4.358 3.960 0.008 0.000 0.316 160 G C 0.675 175.646 174.900 0.118 0.000 1.115 160 G CA -0.157 45.065 45.100 0.203 0.000 0.952 160 G HN 0.250 nan 8.290 nan 0.000 0.441 161 K N 3.039 123.492 120.400 0.088 0.000 2.081 161 K HA -0.273 4.052 4.320 0.008 0.000 0.222 161 K C 2.024 178.592 176.600 -0.053 0.000 1.055 161 K CA 1.934 58.171 56.287 -0.084 0.000 0.954 161 K CB -0.293 31.964 32.500 -0.406 0.000 0.732 161 K HN 0.533 nan 8.250 nan 0.000 0.458 162 I N -0.179 120.353 120.570 -0.064 0.000 2.315 162 I HA -0.184 3.991 4.170 0.008 0.000 0.248 162 I C 2.372 178.478 176.117 -0.019 0.000 1.117 162 I CA 1.208 62.480 61.300 -0.047 0.000 1.404 162 I CB -0.811 37.166 38.000 -0.039 0.000 1.071 162 I HN 0.357 nan 8.210 nan 0.000 0.419 163 A N 1.482 124.293 122.820 -0.014 0.000 1.930 163 A HA -0.132 4.193 4.320 0.008 0.000 0.217 163 A C 2.300 179.932 177.584 0.080 0.000 1.175 163 A CA 1.212 53.224 52.037 -0.041 0.000 0.627 163 A CB -0.576 18.337 19.000 -0.145 0.000 0.815 163 A HN 0.330 nan 8.150 nan 0.000 0.443 164 I N -0.149 120.517 120.570 0.160 0.000 2.110 164 I HA -0.228 3.947 4.170 0.008 0.000 0.236 164 I C 1.962 178.199 176.117 0.198 0.000 1.068 164 I CA 1.575 63.046 61.300 0.285 0.000 1.333 164 I CB -0.681 37.451 38.000 0.220 0.000 1.054 164 I HN 0.215 nan 8.210 nan 0.000 0.402 165 D N 0.591 121.072 120.400 0.135 0.000 2.133 165 D HA -0.223 4.422 4.640 0.008 0.000 0.195 165 D C 2.130 178.434 176.300 0.006 0.000 0.997 165 D CA 1.136 55.181 54.000 0.074 0.000 0.840 165 D CB -0.400 40.437 40.800 0.061 0.000 0.947 165 D HN 0.265 nan 8.370 nan 0.000 0.452 166 R N 0.273 120.760 120.500 -0.022 0.000 2.088 166 R HA -0.098 4.247 4.340 0.008 0.000 0.232 166 R C 1.366 177.572 176.300 -0.157 0.000 1.136 166 R CA 1.855 57.905 56.100 -0.083 0.000 0.926 166 R CB -0.330 29.914 30.300 -0.094 0.000 0.837 166 R HN 0.212 nan 8.270 nan 0.000 0.429 167 G N -0.880 107.763 108.800 -0.261 0.000 4.432 167 G HA2 0.256 4.221 3.960 0.008 0.000 0.294 167 G HA3 0.256 4.221 3.960 0.008 0.000 0.294 167 G C -1.266 173.227 174.900 -0.679 0.000 1.141 167 G CA -0.335 44.473 45.100 -0.487 0.000 0.895 167 G HN 0.168 nan 8.290 nan 0.000 0.548 168 Y N -0.030 120.187 120.300 -0.139 0.000 2.361 168 Y HA 0.339 4.893 4.550 0.008 0.000 0.328 168 Y C -1.002 174.839 175.900 -0.098 0.000 1.044 168 Y CA -1.740 56.285 58.100 -0.125 0.000 1.085 168 Y CB 2.375 40.773 38.460 -0.102 0.000 1.194 168 Y HN 0.057 nan 8.280 nan 0.000 0.438 169 D N 4.171 124.607 120.400 0.059 0.000 2.639 169 D HA 0.182 4.827 4.640 0.008 0.000 0.233 169 D C 1.096 177.402 176.300 0.010 0.000 1.161 169 D CA 0.056 54.062 54.000 0.010 0.000 1.003 169 D CB 0.224 41.017 40.800 -0.013 0.000 1.034 169 D HN 0.421 nan 8.370 nan 0.000 0.514 170 I N 1.689 122.258 120.570 -0.002 0.000 2.145 170 I HA -0.320 3.854 4.170 0.008 0.000 0.244 170 I C 2.364 178.444 176.117 -0.061 0.000 1.075 170 I CA 1.110 62.383 61.300 -0.045 0.000 1.332 170 I CB -1.449 36.497 38.000 -0.090 0.000 1.033 170 I HN 0.329 nan 8.210 nan 0.000 0.410 171 A N 0.194 122.973 122.820 -0.069 0.000 1.927 171 A HA -0.262 4.062 4.320 0.008 0.000 0.220 171 A C 2.251 179.787 177.584 -0.080 0.000 1.185 171 A CA 1.729 53.721 52.037 -0.076 0.000 0.639 171 A CB -0.501 18.457 19.000 -0.069 0.000 0.820 171 A HN 0.530 nan 8.150 nan 0.000 0.451 172 Q N -0.434 119.330 119.800 -0.060 0.000 1.984 172 Q HA -0.074 4.271 4.340 0.008 0.000 0.196 172 Q C 2.259 178.200 176.000 -0.099 0.000 0.975 172 Q CA 1.593 57.357 55.803 -0.065 0.000 0.827 172 Q CB -0.559 28.180 28.738 0.003 0.000 0.894 172 Q HN 0.943 nan 8.270 nan 0.000 0.438 173 I N -1.468 119.092 120.570 -0.017 0.000 3.083 173 I HA -0.050 4.125 4.170 0.008 0.000 0.273 173 I C 1.665 177.758 176.117 -0.041 0.000 1.297 173 I CA 0.701 62.017 61.300 0.026 0.000 1.452 173 I CB -0.142 37.892 38.000 0.057 0.000 1.078 173 I HN -0.148 nan 8.210 nan 0.000 0.484 174 S N 1.833 117.481 115.700 -0.087 0.000 2.461 174 S HA -0.003 4.472 4.470 0.008 0.000 0.228 174 S C 1.842 176.371 174.600 -0.119 0.000 1.005 174 S CA 0.872 59.021 58.200 -0.085 0.000 0.942 174 S CB -0.229 62.923 63.200 -0.081 0.000 0.776 174 S HN 0.658 nan 8.310 nan 0.000 0.514 175 R N -0.018 120.338 120.500 -0.239 0.000 2.317 175 R HA 0.237 4.582 4.340 0.008 0.000 0.208 175 R C 0.760 176.863 176.300 -0.328 0.000 0.914 175 R CA 0.433 56.360 56.100 -0.289 0.000 1.060 175 R CB -0.208 29.883 30.300 -0.347 0.000 1.015 175 R HN 0.385 nan 8.270 nan 0.000 0.498 176 H N 0.682 119.751 119.070 -0.002 0.000 2.594 176 H HA 0.283 4.844 4.556 0.008 0.000 0.274 176 H C 0.859 176.185 175.328 -0.003 0.000 0.982 176 H CA -0.183 55.864 56.048 -0.002 0.000 1.228 176 H CB 0.316 30.070 29.762 -0.013 0.000 1.447 176 H HN -0.018 nan 8.280 nan 0.000 0.485 177 L N 1.653 122.931 121.223 0.092 0.000 2.464 177 L HA 0.016 4.361 4.340 0.008 0.000 0.264 177 L C 1.286 178.176 176.870 0.034 0.000 1.199 177 L CA 0.003 54.856 54.840 0.023 0.000 0.818 177 L CB 0.764 42.804 42.059 -0.032 0.000 1.102 177 L HN 0.058 nan 8.230 nan 0.000 0.473 178 D N 0.600 121.011 120.400 0.019 0.000 2.271 178 D HA 0.092 4.737 4.640 0.008 0.000 0.206 178 D C -0.257 176.199 176.300 0.261 0.000 0.967 178 D CA 1.027 55.111 54.000 0.140 0.000 0.867 178 D CB 0.491 41.422 40.800 0.219 0.000 0.960 178 D HN 0.347 nan 8.370 nan 0.000 0.509 179 F N -1.183 118.772 119.950 0.008 0.000 2.744 179 F HA 0.483 5.015 4.527 0.008 0.000 0.311 179 F C -1.884 173.916 175.800 0.001 0.000 1.144 179 F CA -1.372 56.619 58.000 -0.016 0.000 0.938 179 F CB 0.804 39.770 39.000 -0.056 0.000 1.292 179 F HN -0.384 nan 8.300 nan 0.000 0.444 180 I N 2.148 122.804 120.570 0.143 0.000 2.418 180 I HA 0.392 4.567 4.170 0.008 0.000 0.287 180 I C -0.650 175.546 176.117 0.132 0.000 1.008 180 I CA -0.776 60.554 61.300 0.050 0.000 1.104 180 I CB 2.065 40.067 38.000 0.002 0.000 1.264 180 I HN 0.620 nan 8.210 nan 0.000 0.438 181 S N 6.922 122.701 115.700 0.133 0.000 2.410 181 S HA 0.475 4.950 4.470 0.008 0.000 0.304 181 S C -0.126 174.530 174.600 0.093 0.000 1.095 181 S CA -0.528 57.783 58.200 0.185 0.000 1.089 181 S CB 0.455 63.835 63.200 0.299 0.000 0.968 181 S HN 0.367 nan 8.310 nan 0.000 0.480 182 L N 4.366 125.630 121.223 0.069 0.000 2.319 182 L HA 0.286 4.631 4.340 0.008 0.000 0.280 182 L C 0.266 177.091 176.870 -0.074 0.000 1.099 182 L CA -0.351 54.491 54.840 0.003 0.000 0.828 182 L CB 0.556 42.637 42.059 0.037 0.000 1.150 182 L HN 0.555 nan 8.230 nan 0.000 0.442 183 L N 4.038 125.158 121.223 -0.172 0.000 2.650 183 L HA 0.034 4.379 4.340 0.008 0.000 0.239 183 L C 0.890 177.368 176.870 -0.654 0.000 1.412 183 L CA -0.204 54.340 54.840 -0.494 0.000 1.219 183 L CB -0.971 40.918 42.059 -0.284 0.000 1.534 183 L HN 0.681 nan 8.230 nan 0.000 0.430 184 T N -2.363 111.927 114.554 -0.440 0.000 4.612 184 T HA 0.011 4.365 4.350 0.008 0.000 0.226 184 T C 0.356 174.856 174.700 -0.334 0.000 0.789 184 T CA -0.103 61.792 62.100 -0.342 0.000 0.896 184 T CB -0.930 67.944 68.868 0.009 0.000 1.419 184 T HN 0.540 nan 8.240 nan 0.000 0.898 185 Y N -2.146 118.009 120.300 -0.242 0.000 2.957 185 Y HA 0.506 5.061 4.550 0.008 0.000 0.274 185 Y C -0.256 175.714 175.900 0.118 0.000 1.065 185 Y CA -1.928 56.162 58.100 -0.017 0.000 1.273 185 Y CB -0.354 38.212 38.460 0.178 0.000 1.358 185 Y HN 0.308 nan 8.280 nan 0.000 0.585 186 D N 0.596 120.987 120.400 -0.016 0.000 2.886 186 D HA 0.287 4.931 4.640 0.008 0.000 0.355 186 D C -0.701 175.694 176.300 0.159 0.000 1.274 186 D CA -0.418 53.711 54.000 0.215 0.000 0.836 186 D CB -0.448 40.510 40.800 0.264 0.000 1.109 186 D HN 0.136 nan 8.370 nan 0.000 0.488 187 F N 0.632 120.809 119.950 0.378 0.000 2.668 187 F HA 0.324 4.856 4.527 0.008 0.000 0.297 187 F C 0.898 176.886 175.800 0.313 0.000 1.124 187 F CA -0.155 58.017 58.000 0.286 0.000 1.353 187 F CB -0.194 38.931 39.000 0.208 0.000 0.992 187 F HN 0.290 nan 8.300 nan 0.000 0.524 188 H N -1.212 118.082 119.070 0.374 0.000 2.963 188 H HA 0.521 5.082 4.556 0.008 0.000 0.255 188 H C -0.632 174.842 175.328 0.243 0.000 1.516 188 H CA -0.171 55.989 56.048 0.186 0.000 1.181 188 H CB 1.395 31.288 29.762 0.218 0.000 1.900 188 H HN -0.014 nan 8.280 nan 0.000 0.686 189 G N -0.062 109.090 108.800 0.586 0.000 3.160 189 G HA2 0.427 4.392 3.960 0.008 0.000 0.573 189 G HA3 0.427 4.392 3.960 0.008 0.000 0.573 189 G C 0.774 175.865 174.900 0.319 0.000 1.286 189 G CA 0.512 45.866 45.100 0.425 0.000 1.151 189 G HN 1.300 nan 8.290 nan 0.000 0.555 190 A N 2.277 125.416 122.820 0.531 0.000 2.173 190 A HA -0.295 4.030 4.320 0.008 0.000 0.230 190 A C 1.813 179.526 177.584 0.216 0.000 1.656 190 A CA 2.957 55.262 52.037 0.447 0.000 0.751 190 A CB -1.305 17.881 19.000 0.309 0.000 0.835 190 A HN 2.151 nan 8.150 nan 0.000 0.553 191 W N -1.219 120.164 121.300 0.140 0.000 3.434 191 W HA 0.421 5.086 4.660 0.008 0.000 0.297 191 W C 0.101 176.625 176.519 0.009 0.000 1.295 191 W CA -0.095 57.285 57.345 0.060 0.000 1.731 191 W CB -0.447 29.040 29.460 0.045 0.000 1.070 191 W HN 0.280 nan 8.180 nan 0.000 0.726 192 R N 2.164 122.470 120.500 -0.322 0.000 2.412 192 R HA 0.091 4.436 4.340 0.008 0.000 0.304 192 R C 0.882 177.067 176.300 -0.192 0.000 1.066 192 R CA -0.484 55.355 56.100 -0.434 0.000 0.923 192 R CB 1.175 30.934 30.300 -0.902 0.000 1.156 192 R HN -0.048 nan 8.270 nan 0.000 0.513 193 Q N 0.786 120.519 119.800 -0.111 0.000 2.594 193 Q HA -0.057 4.288 4.340 0.008 0.000 0.215 193 Q C 0.433 176.350 176.000 -0.138 0.000 0.962 193 Q CA 0.678 56.436 55.803 -0.075 0.000 1.003 193 Q CB -0.457 28.256 28.738 -0.042 0.000 1.000 193 Q HN 0.641 nan 8.270 nan 0.000 0.571 194 T N -3.836 110.594 114.554 -0.207 0.000 2.865 194 T HA 0.584 4.939 4.350 0.008 0.000 0.294 194 T C 0.209 174.613 174.700 -0.495 0.000 1.119 194 T CA -0.755 61.171 62.100 -0.290 0.000 1.007 194 T CB 1.754 70.480 68.868 -0.238 0.000 1.225 194 T HN 0.009 nan 8.240 nan 0.000 0.515 195 V N -1.199 118.282 119.914 -0.722 0.000 3.264 195 V HA 0.946 5.071 4.120 0.008 0.000 0.304 195 V C 0.533 176.073 176.094 -0.923 0.000 1.086 195 V CA 0.295 61.839 62.300 -1.259 0.000 1.090 195 V CB 0.403 31.187 31.823 -1.731 0.000 1.112 195 V HN 1.769 nan 8.190 nan 0.000 0.472 196 G N -0.126 108.041 108.800 -1.056 0.000 2.361 196 G HA2 0.321 4.286 3.960 0.008 0.000 0.299 196 G HA3 0.321 4.286 3.960 0.008 0.000 0.299 196 G C -1.853 172.910 174.900 -0.228 0.000 1.544 196 G CA -0.714 44.036 45.100 -0.584 0.000 0.860 196 G HN 1.251 nan 8.290 nan 0.000 0.610 197 H N 0.113 119.200 119.070 0.028 0.000 2.488 197 H HA 0.346 4.908 4.556 0.009 0.000 0.322 197 H C 1.438 176.892 175.328 0.210 0.000 1.078 197 H CA 0.086 56.289 56.048 0.258 0.000 1.260 197 H CB 1.319 31.278 29.762 0.327 0.000 1.425 197 H HN 0.810 nan 8.280 nan 0.000 0.471 198 H N 1.317 120.616 119.070 0.382 0.000 2.535 198 H HA 0.082 4.643 4.556 0.008 0.000 0.273 198 H C 0.311 175.931 175.328 0.487 0.000 0.983 198 H CA 0.591 56.897 56.048 0.429 0.000 1.238 198 H CB 0.455 30.393 29.762 0.293 0.000 1.412 198 H HN 0.296 nan 8.280 nan 0.000 0.562 199 S N 0.308 116.059 115.700 0.085 0.000 2.399 199 S HA 0.348 4.823 4.470 0.008 0.000 0.198 199 S C -2.959 171.642 174.600 0.001 0.000 1.294 199 S CA -1.334 56.917 58.200 0.085 0.000 1.237 199 S CB 0.913 64.067 63.200 -0.076 0.000 1.286 199 S HN 0.173 nan 8.310 nan 0.000 0.404 200 P HA 0.268 nan 4.420 nan 0.000 0.276 200 P C 0.535 177.747 177.300 -0.147 0.000 1.244 200 P CA -0.631 62.357 63.100 -0.185 0.000 0.801 200 P CB 1.453 33.071 31.700 -0.136 0.000 1.006 201 L N 0.929 121.975 121.223 -0.294 0.000 2.200 201 L HA 0.340 4.685 4.340 0.008 0.000 0.200 201 L C 0.368 176.830 176.870 -0.680 0.000 1.072 201 L CA 1.509 56.014 54.840 -0.558 0.000 0.787 201 L CB -0.360 41.241 42.059 -0.762 0.000 0.957 201 L HN 0.183 nan 8.230 nan 0.000 0.459 202 F N -0.323 119.543 119.950 -0.140 0.000 2.556 202 F HA 0.408 4.940 4.527 0.008 0.000 0.327 202 F C 1.421 177.142 175.800 -0.131 0.000 1.059 202 F CA -1.014 56.915 58.000 -0.119 0.000 0.953 202 F CB 0.737 39.686 39.000 -0.084 0.000 1.227 202 F HN -0.104 nan 8.300 nan 0.000 0.478 203 R N 1.717 122.276 120.500 0.098 0.000 2.117 203 R HA -0.040 4.305 4.340 0.008 0.000 0.243 203 R C 0.525 176.789 176.300 -0.060 0.000 1.143 203 R CA 1.370 57.443 56.100 -0.046 0.000 0.968 203 R CB -1.204 29.062 30.300 -0.057 0.000 0.863 203 R HN 1.082 nan 8.270 nan 0.000 0.444 204 G N 3.494 112.295 108.800 0.001 0.000 2.686 204 G HA2 -0.314 3.651 3.960 0.008 0.000 0.211 204 G HA3 -0.314 3.651 3.960 0.008 0.000 0.211 204 G C 0.612 175.472 174.900 -0.065 0.000 0.829 204 G CA 0.608 45.692 45.100 -0.027 0.000 0.993 204 G HN 0.723 nan 8.290 nan 0.000 0.330 205 Q N 0.535 120.299 119.800 -0.060 0.000 2.378 205 Q HA -0.328 4.017 4.340 0.008 0.000 0.218 205 Q C 1.782 177.740 176.000 -0.070 0.000 1.007 205 Q CA 2.647 58.410 55.803 -0.065 0.000 0.955 205 Q CB -0.251 28.455 28.738 -0.053 0.000 0.952 205 Q HN 0.883 nan 8.270 nan 0.000 0.423 206 E N 0.252 120.410 120.200 -0.070 0.000 2.051 206 E HA -0.015 4.340 4.350 0.008 0.000 0.189 206 E C 0.335 176.875 176.600 -0.100 0.000 0.979 206 E CA 0.657 57.013 56.400 -0.074 0.000 0.803 206 E CB 0.056 29.724 29.700 -0.054 0.000 0.761 206 E HN 0.363 nan 8.360 nan 0.000 0.451 207 D N -0.251 120.070 120.400 -0.131 0.000 2.696 207 D HA 0.427 5.072 4.640 0.008 0.000 0.251 207 D C -1.658 174.534 176.300 -0.180 0.000 1.188 207 D CA -0.309 53.602 54.000 -0.148 0.000 0.876 207 D CB 1.939 42.651 40.800 -0.146 0.000 1.334 207 D HN 0.039 nan 8.370 nan 0.000 0.540 208 A N 2.314 125.023 122.820 -0.185 0.000 2.409 208 A HA 0.534 4.858 4.320 0.008 0.000 0.300 208 A C 0.087 177.530 177.584 -0.233 0.000 1.273 208 A CA -0.424 51.467 52.037 -0.244 0.000 0.774 208 A CB 1.229 20.075 19.000 -0.258 0.000 1.144 208 A HN 0.351 nan 8.150 nan 0.000 0.472 209 S N 0.267 115.821 115.700 -0.243 0.000 2.733 209 S HA 0.318 4.793 4.470 0.008 0.000 0.270 209 S C 0.487 174.946 174.600 -0.234 0.000 1.062 209 S CA 0.360 58.442 58.200 -0.196 0.000 1.256 209 S CB 0.356 63.471 63.200 -0.141 0.000 1.187 209 S HN 0.675 nan 8.310 nan 0.000 0.666 213 F N 1.432 120.970 119.950 -0.687 0.000 2.693 213 F HA 0.416 4.947 4.527 0.008 0.000 0.303 213 F C 0.472 175.932 175.800 -0.568 0.000 1.143 213 F CA 0.158 57.556 58.000 -1.004 0.000 1.389 213 F CB 0.503 38.896 39.000 -1.012 0.000 1.060 213 F HN -0.269 nan 8.300 nan 0.000 0.535 214 S N 1.757 117.158 115.700 -0.499 0.000 2.217 214 S HA 0.387 4.862 4.470 0.008 0.000 0.168 214 S C -0.571 173.388 174.600 -1.067 0.000 1.526 214 S CA -0.668 57.029 58.200 -0.839 0.000 1.150 214 S CB -0.451 62.499 63.200 -0.416 0.000 1.158 214 S HN 0.585 nan 8.310 nan 0.000 0.473 215 N N -1.003 116.995 118.700 -1.169 0.000 2.935 215 N HA 0.515 5.260 4.740 0.008 0.000 0.248 215 N C 0.467 175.912 175.510 -0.108 0.000 1.276 215 N CA -0.690 52.037 53.050 -0.539 0.000 0.906 215 N CB 0.331 38.673 38.487 -0.242 0.000 1.564 215 N HN -0.001 nan 8.380 nan 0.000 0.500 216 A N 0.218 123.125 122.820 0.144 0.000 1.903 216 A HA -0.311 4.014 4.320 0.008 0.000 0.219 216 A C 1.623 179.226 177.584 0.032 0.000 1.191 216 A CA 2.228 54.342 52.037 0.129 0.000 0.638 216 A CB -1.099 17.873 19.000 -0.046 0.000 0.823 216 A HN 0.903 nan 8.150 nan 0.000 0.451 217 D N -1.847 118.481 120.400 -0.119 0.000 2.103 217 D HA -0.242 4.402 4.640 0.008 0.000 0.190 217 D C 1.821 178.232 176.300 0.185 0.000 0.997 217 D CA 1.987 56.009 54.000 0.036 0.000 0.833 217 D CB -0.267 40.603 40.800 0.118 0.000 0.961 217 D HN 0.545 nan 8.370 nan 0.000 0.447 218 Y N 1.243 121.582 120.300 0.064 0.000 2.207 218 Y HA -0.194 4.361 4.550 0.008 0.000 0.287 218 Y C 2.262 178.250 175.900 0.147 0.000 1.156 218 Y CA 2.025 60.181 58.100 0.094 0.000 1.182 218 Y CB -0.443 38.036 38.460 0.033 0.000 0.979 218 Y HN 0.068 nan 8.280 nan 0.000 0.521 219 A N -0.860 122.117 122.820 0.262 0.000 1.933 219 A HA -0.156 4.168 4.320 0.008 0.000 0.218 219 A C 2.266 179.953 177.584 0.172 0.000 1.175 219 A CA 2.096 54.292 52.037 0.266 0.000 0.628 219 A CB -1.190 18.017 19.000 0.344 0.000 0.814 219 A HN 0.333 nan 8.150 nan 0.000 0.444 220 V N -0.644 119.367 119.914 0.162 0.000 2.346 220 V HA -0.152 3.973 4.120 0.008 0.000 0.244 220 V C 2.694 178.834 176.094 0.076 0.000 1.037 220 V CA 2.006 64.389 62.300 0.139 0.000 1.029 220 V CB -0.894 31.064 31.823 0.225 0.000 0.663 220 V HN 0.520 nan 8.190 nan 0.000 0.454 221 S N -0.812 114.927 115.700 0.065 0.000 2.374 221 S HA -0.264 4.210 4.470 0.008 0.000 0.227 221 S C 1.878 176.456 174.600 -0.036 0.000 1.037 221 S CA 2.178 60.383 58.200 0.009 0.000 1.024 221 S CB -0.458 62.741 63.200 -0.001 0.000 0.861 221 S HN 0.643 nan 8.310 nan 0.000 0.456 222 Y N 1.911 122.054 120.300 -0.261 0.000 2.109 222 Y HA -0.061 4.494 4.550 0.008 0.000 0.285 222 Y C 2.368 178.189 175.900 -0.131 0.000 1.131 222 Y CA 1.267 59.200 58.100 -0.278 0.000 1.121 222 Y CB -0.506 37.717 38.460 -0.395 0.000 0.987 222 Y HN 0.103 nan 8.280 nan 0.000 0.495 223 M N -0.183 119.371 119.600 -0.077 0.000 2.143 223 M HA -0.276 4.208 4.480 0.008 0.000 0.258 223 M C 2.257 178.468 176.300 -0.148 0.000 1.071 223 M CA 1.632 56.853 55.300 -0.131 0.000 1.088 223 M CB -1.476 31.099 32.600 -0.042 0.000 1.360 223 M HN 0.367 nan 8.290 nan 0.000 0.404 224 L N -1.277 119.888 121.223 -0.098 0.000 2.083 224 L HA -0.198 4.147 4.340 0.008 0.000 0.209 224 L C 2.835 179.636 176.870 -0.116 0.000 1.083 224 L CA 0.965 55.755 54.840 -0.084 0.000 0.752 224 L CB -0.649 41.383 42.059 -0.046 0.000 0.899 224 L HN 0.282 nan 8.230 nan 0.000 0.433 225 R N 0.626 121.030 120.500 -0.160 0.000 2.073 225 R HA -0.038 4.307 4.340 0.008 0.000 0.229 225 R C 2.171 178.342 176.300 -0.215 0.000 1.120 225 R CA 1.093 57.095 56.100 -0.164 0.000 0.967 225 R CB -0.358 29.842 30.300 -0.166 0.000 0.862 225 R HN 0.358 nan 8.270 nan 0.000 0.436 226 L N -0.834 120.190 121.223 -0.331 0.000 2.450 226 L HA -0.045 4.300 4.340 0.008 0.000 0.224 226 L C 1.412 178.175 176.870 -0.177 0.000 1.149 226 L CA 1.212 55.876 54.840 -0.295 0.000 0.816 226 L CB -0.103 41.736 42.059 -0.367 0.000 0.932 226 L HN 0.520 nan 8.230 nan 0.000 0.449 227 G N -1.266 107.446 108.800 -0.146 0.000 2.273 227 G HA2 -0.113 3.851 3.960 0.008 0.000 0.162 227 G HA3 -0.113 3.851 3.960 0.008 0.000 0.162 227 G C 0.241 175.088 174.900 -0.089 0.000 1.006 227 G CA -0.251 44.787 45.100 -0.104 0.000 0.704 227 G HN 0.367 nan 8.290 nan 0.000 0.487 228 A N 2.227 124.992 122.820 -0.092 0.000 2.347 228 A HA 0.686 5.011 4.320 0.008 0.000 0.287 228 A C -1.343 176.209 177.584 -0.054 0.000 1.199 228 A CA -0.917 51.077 52.037 -0.071 0.000 0.851 228 A CB 0.247 19.205 19.000 -0.071 0.000 1.118 228 A HN 0.212 nan 8.150 nan 0.000 0.525 229 P HA 0.166 nan 4.420 nan 0.000 0.271 229 P C 0.731 178.013 177.300 -0.030 0.000 1.218 229 P CA 0.244 63.321 63.100 -0.038 0.000 0.780 229 P CB 1.277 32.957 31.700 -0.034 0.000 0.901 230 A N 3.544 126.345 122.820 -0.032 0.000 2.015 230 A HA -0.170 4.155 4.320 0.008 0.000 0.219 230 A C 1.629 179.191 177.584 -0.037 0.000 1.163 230 A CA 1.284 53.303 52.037 -0.031 0.000 0.646 230 A CB -1.167 17.809 19.000 -0.039 0.000 0.806 230 A HN 0.735 nan 8.150 nan 0.000 0.448 231 N N -0.488 118.187 118.700 -0.042 0.000 2.575 231 N HA -0.061 4.684 4.740 0.008 0.000 0.192 231 N C 0.502 175.999 175.510 -0.021 0.000 1.200 231 N CA 0.659 53.678 53.050 -0.052 0.000 0.897 231 N CB -0.031 38.425 38.487 -0.052 0.000 0.990 231 N HN 0.522 nan 8.380 nan 0.000 0.449 232 K N 0.004 120.408 120.400 0.006 0.000 2.483 232 K HA 0.300 4.625 4.320 0.008 0.000 0.206 232 K C -0.233 176.418 176.600 0.085 0.000 1.086 232 K CA -0.185 56.139 56.287 0.061 0.000 1.052 232 K CB 1.224 33.755 32.500 0.053 0.000 0.904 232 K HN 0.069 nan 8.250 nan 0.000 0.557 233 L N 1.869 123.121 121.223 0.048 0.000 2.295 233 L HA 0.398 4.743 4.340 0.008 0.000 0.285 233 L C -0.898 176.018 176.870 0.077 0.000 1.035 233 L CA -0.871 54.006 54.840 0.060 0.000 0.806 233 L CB 1.781 43.860 42.059 0.034 0.000 1.214 233 L HN -0.240 nan 8.230 nan 0.000 0.426 234 V N 5.007 124.991 119.914 0.117 0.000 2.577 234 V HA 0.337 4.462 4.120 0.008 0.000 0.303 234 V C -0.094 176.086 176.094 0.144 0.000 1.042 234 V CA -0.495 61.879 62.300 0.123 0.000 0.872 234 V CB 1.907 33.818 31.823 0.147 0.000 0.998 234 V HN 0.761 nan 8.190 nan 0.000 0.423 235 M N 3.732 123.420 119.600 0.146 0.000 2.180 235 M HA 0.596 5.081 4.480 0.008 0.000 0.358 235 M C 0.585 176.996 176.300 0.185 0.000 1.233 235 M CA -0.043 55.352 55.300 0.157 0.000 1.114 235 M CB 0.834 33.540 32.600 0.176 0.000 1.594 235 M HN 0.808 nan 8.290 nan 0.000 0.467 236 G N 6.153 115.057 108.800 0.174 0.000 2.353 236 G HA2 0.562 4.527 3.960 0.008 0.000 0.284 236 G HA3 0.562 4.527 3.960 0.008 0.000 0.284 236 G C -0.821 174.298 174.900 0.365 0.000 1.172 236 G CA -0.648 44.623 45.100 0.284 0.000 0.854 236 G HN 0.796 nan 8.290 nan 0.000 0.485 237 I N 3.743 124.567 120.570 0.423 0.000 2.418 237 I HA 0.254 4.429 4.170 0.008 0.000 0.287 237 I C -2.243 174.074 176.117 0.334 0.000 1.008 237 I CA -2.226 59.274 61.300 0.334 0.000 1.104 237 I CB 2.910 41.034 38.000 0.205 0.000 1.264 237 I HN 0.271 nan 8.210 nan 0.000 0.438 238 P HA 0.161 nan 4.420 nan 0.000 0.272 238 P C 0.131 177.435 177.300 0.006 0.000 1.240 238 P CA -0.034 63.021 63.100 -0.074 0.000 0.791 238 P CB 0.867 32.303 31.700 -0.439 0.000 0.978 239 T N -0.602 114.025 114.554 0.123 0.000 3.130 239 T HA 0.305 4.660 4.350 0.008 0.000 0.288 239 T C -0.335 174.496 174.700 0.218 0.000 0.936 239 T CA -0.158 62.021 62.100 0.131 0.000 0.897 239 T CB -0.316 68.657 68.868 0.175 0.000 1.178 239 T HN 0.330 nan 8.240 nan 0.000 0.543 240 F N -0.357 119.638 119.950 0.074 0.000 2.712 240 F HA 0.948 5.479 4.527 0.008 0.000 0.367 240 F C 0.184 176.044 175.800 0.100 0.000 1.132 240 F CA -1.554 56.472 58.000 0.044 0.000 1.066 240 F CB 0.561 39.558 39.000 -0.005 0.000 1.416 240 F HN -0.079 nan 8.300 nan 0.000 0.515 241 G N 0.198 109.092 108.800 0.156 0.000 2.660 241 G HA2 0.553 4.518 3.960 0.008 0.000 0.294 241 G HA3 0.553 4.518 3.960 0.008 0.000 0.294 241 G C -1.947 172.938 174.900 -0.025 0.000 1.369 241 G CA -1.186 43.947 45.100 0.054 0.000 0.912 241 G HN 0.466 nan 8.290 nan 0.000 0.479 242 K N 0.526 120.839 120.400 -0.145 0.000 2.138 242 K HA 0.638 4.963 4.320 0.008 0.000 0.263 242 K C -0.148 176.323 176.600 -0.214 0.000 0.965 242 K CA -0.469 55.672 56.287 -0.244 0.000 0.868 242 K CB 1.783 34.097 32.500 -0.310 0.000 1.083 242 K HN 0.700 nan 8.250 nan 0.000 0.443 243 S N 1.694 117.154 115.700 -0.399 0.000 2.536 243 S HA 0.795 5.270 4.470 0.008 0.000 0.298 243 S C -0.708 173.554 174.600 -0.562 0.000 1.083 243 S CA -0.765 57.250 58.200 -0.309 0.000 0.995 243 S CB 0.742 63.803 63.200 -0.231 0.000 1.058 243 S HN 0.351 nan 8.310 nan 0.000 0.488 244 F N -0.053 119.999 119.950 0.170 0.000 2.588 244 F HA 0.512 5.043 4.527 0.007 0.000 0.314 244 F C 0.320 176.203 175.800 0.138 0.000 1.069 244 F CA -0.783 57.297 58.000 0.134 0.000 0.931 244 F CB 2.339 41.405 39.000 0.110 0.000 1.260 244 F HN 0.491 nan 8.300 nan 0.000 0.465 245 T N 3.836 118.558 114.554 0.279 0.000 2.728 245 T HA 0.434 4.789 4.350 0.008 0.000 0.296 245 T C 0.102 174.913 174.700 0.184 0.000 0.940 245 T CA -0.490 61.729 62.100 0.199 0.000 1.013 245 T CB 0.102 69.050 68.868 0.132 0.000 0.912 245 T HN 0.299 nan 8.240 nan 0.000 0.484 246 L N 2.340 123.672 121.223 0.183 0.000 2.514 246 L HA 0.195 4.539 4.340 0.008 0.000 0.280 246 L C 1.436 178.352 176.870 0.077 0.000 1.223 246 L CA -0.301 54.609 54.840 0.117 0.000 0.864 246 L CB 0.316 42.459 42.059 0.140 0.000 1.118 246 L HN 0.751 nan 8.230 nan 0.000 0.494 247 A N 1.775 124.617 122.820 0.037 0.000 2.308 247 A HA 0.269 4.594 4.320 0.008 0.000 0.217 247 A C 0.653 178.252 177.584 0.024 0.000 1.216 247 A CA 0.658 52.712 52.037 0.029 0.000 0.864 247 A CB 0.045 19.051 19.000 0.010 0.000 0.902 247 A HN 0.752 nan 8.150 nan 0.000 0.499 248 S N -1.995 113.721 115.700 0.027 0.000 2.661 248 S HA 0.326 4.801 4.470 0.008 0.000 0.268 248 S C 0.347 174.974 174.600 0.046 0.000 1.162 248 S CA 0.405 58.622 58.200 0.028 0.000 0.817 248 S CB 0.419 63.625 63.200 0.010 0.000 1.141 248 S HN 0.577 nan 8.310 nan 0.000 0.477 249 S N -0.449 115.278 115.700 0.046 0.000 2.701 249 S HA 0.208 4.683 4.470 0.008 0.000 0.220 249 S C 0.269 174.910 174.600 0.068 0.000 0.954 249 S CA -0.068 58.170 58.200 0.063 0.000 0.936 249 S CB -0.711 62.521 63.200 0.053 0.000 0.777 249 S HN 0.703 nan 8.310 nan 0.000 0.518 250 K N 1.430 121.859 120.400 0.047 0.000 2.297 250 K HA 0.340 4.665 4.320 0.008 0.000 0.286 250 K C 0.527 177.169 176.600 0.071 0.000 1.053 250 K CA 0.136 56.447 56.287 0.039 0.000 0.940 250 K CB 0.599 33.095 32.500 -0.007 0.000 1.019 250 K HN -0.012 nan 8.250 nan 0.000 0.475 251 T N 2.396 117.029 114.554 0.131 0.000 2.978 251 T HA 0.027 4.382 4.350 0.008 0.000 0.248 251 T C -0.649 174.203 174.700 0.253 0.000 1.018 251 T CA 0.112 62.377 62.100 0.276 0.000 1.026 251 T CB -0.081 69.012 68.868 0.374 0.000 1.032 251 T HN 0.816 nan 8.240 nan 0.000 0.485 252 D N 1.445 121.927 120.400 0.137 0.000 2.363 252 D HA 0.258 4.903 4.640 0.008 0.000 0.240 252 D C 0.085 176.410 176.300 0.042 0.000 1.236 252 D CA -0.606 53.466 54.000 0.120 0.000 0.927 252 D CB 0.210 41.052 40.800 0.070 0.000 1.150 252 D HN -0.069 nan 8.370 nan 0.000 0.458 253 V N 0.767 120.727 119.914 0.076 0.000 2.790 253 V HA 0.203 4.328 4.120 0.008 0.000 0.304 253 V C 1.850 177.883 176.094 -0.101 0.000 1.142 253 V CA 1.463 63.761 62.300 -0.004 0.000 1.282 253 V CB -0.147 31.693 31.823 0.028 0.000 0.877 253 V HN 1.014 nan 8.190 nan 0.000 0.504 254 G N 2.793 111.479 108.800 -0.189 0.000 2.184 254 G HA2 -0.128 3.836 3.960 0.008 0.000 0.264 254 G HA3 -0.128 3.836 3.960 0.008 0.000 0.264 254 G C 0.508 175.286 174.900 -0.203 0.000 0.975 254 G CA 0.235 45.221 45.100 -0.191 0.000 0.642 254 G HN 1.857 nan 8.290 nan 0.000 0.536 255 A N 1.257 123.936 122.820 -0.234 0.000 2.586 255 A HA 0.485 4.810 4.320 0.008 0.000 0.231 255 A C -0.939 176.506 177.584 -0.231 0.000 1.055 255 A CA 0.440 52.354 52.037 -0.206 0.000 0.756 255 A CB 0.128 18.997 19.000 -0.217 0.000 0.988 255 A HN 0.404 nan 8.150 nan 0.000 0.509 256 P HA 0.331 nan 4.420 nan 0.000 0.280 256 P C -0.823 176.402 177.300 -0.126 0.000 1.244 256 P CA -0.092 62.931 63.100 -0.130 0.000 0.784 256 P CB 1.175 32.831 31.700 -0.073 0.000 0.913 257 V N 2.855 122.694 119.914 -0.126 0.000 2.513 257 V HA 0.216 4.341 4.120 0.008 0.000 0.299 257 V C 1.495 177.595 176.094 0.009 0.000 1.035 257 V CA 0.053 62.312 62.300 -0.068 0.000 0.889 257 V CB 1.599 33.353 31.823 -0.115 0.000 0.988 257 V HN 0.727 nan 8.190 nan 0.000 0.440 258 S N 2.428 118.160 115.700 0.054 0.000 2.540 258 S HA 0.546 5.021 4.470 0.008 0.000 0.218 258 S C 0.495 175.147 174.600 0.086 0.000 0.977 258 S CA 0.395 58.630 58.200 0.060 0.000 0.918 258 S CB 0.152 63.385 63.200 0.055 0.000 0.806 258 S HN 1.675 nan 8.310 nan 0.000 0.496 259 G N 1.234 110.112 108.800 0.130 0.000 2.356 259 G HA2 0.295 4.260 3.960 0.008 0.000 0.300 259 G HA3 0.295 4.260 3.960 0.008 0.000 0.300 259 G C -3.538 171.467 174.900 0.176 0.000 1.331 259 G CA -0.639 44.544 45.100 0.138 0.000 0.905 259 G HN 0.105 nan 8.290 nan 0.000 0.587 260 P HA 0.395 nan 4.420 nan 0.000 0.274 260 P C 0.800 178.104 177.300 0.007 0.000 1.260 260 P CA 0.491 63.597 63.100 0.010 0.000 0.793 260 P CB 0.509 32.191 31.700 -0.029 0.000 1.048 261 G N -0.081 108.672 108.800 -0.079 0.000 2.537 261 G HA2 0.470 4.435 3.960 0.008 0.000 0.273 261 G HA3 0.470 4.435 3.960 0.008 0.000 0.273 261 G C 0.337 175.219 174.900 -0.030 0.000 1.189 261 G CA -0.905 44.174 45.100 -0.036 0.000 0.881 261 G HN 0.631 nan 8.290 nan 0.000 0.535 262 I N -0.900 119.667 120.570 -0.005 0.000 2.696 262 I HA 0.363 4.538 4.170 0.008 0.000 0.284 262 I C -2.273 173.831 176.117 -0.021 0.000 1.129 262 I CA -1.689 59.611 61.300 0.001 0.000 1.410 262 I CB 0.771 38.788 38.000 0.027 0.000 1.399 262 I HN 0.143 nan 8.210 nan 0.000 0.579 263 P HA 0.142 nan 4.420 nan 0.000 0.269 263 P C -0.075 177.225 177.300 0.001 0.000 1.217 263 P CA -0.113 62.981 63.100 -0.009 0.000 0.783 263 P CB 0.416 32.119 31.700 0.005 0.000 0.898 264 G N 0.444 109.251 108.800 0.013 0.000 2.420 264 G HA2 0.078 4.043 3.960 0.008 0.000 0.284 264 G HA3 0.078 4.043 3.960 0.008 0.000 0.284 264 G C 0.584 175.530 174.900 0.077 0.000 1.177 264 G CA -0.358 44.773 45.100 0.052 0.000 0.841 264 G HN 0.574 nan 8.290 nan 0.000 0.527 265 Q N 0.731 120.573 119.800 0.071 0.000 2.368 265 Q HA -0.096 4.249 4.340 0.008 0.000 0.210 265 Q C 0.607 176.470 176.000 -0.228 0.000 0.982 265 Q CA 1.505 57.224 55.803 -0.139 0.000 0.884 265 Q CB -0.083 28.480 28.738 -0.293 0.000 0.933 265 Q HN 0.642 nan 8.270 nan 0.000 0.460 266 F N -1.620 118.390 119.950 0.101 0.000 2.747 266 F HA 0.139 4.672 4.527 0.009 0.000 0.305 266 F C 2.093 177.964 175.800 0.118 0.000 1.065 266 F CA 0.671 58.752 58.000 0.136 0.000 1.230 266 F CB 0.259 39.389 39.000 0.216 0.000 1.027 266 F HN 0.057 nan 8.300 nan 0.000 0.607 267 T N -2.637 112.077 114.554 0.266 0.000 3.044 267 T HA 0.108 4.463 4.350 0.008 0.000 0.250 267 T C 0.622 175.395 174.700 0.121 0.000 1.081 267 T CA -0.233 61.967 62.100 0.167 0.000 1.040 267 T CB -0.384 68.528 68.868 0.073 0.000 0.962 267 T HN -0.013 nan 8.240 nan 0.000 0.506 268 K N 1.793 122.253 120.400 0.100 0.000 5.095 268 K HA -0.197 4.128 4.320 0.008 0.000 0.311 268 K C -0.400 176.224 176.600 0.040 0.000 0.785 268 K CA 0.753 57.076 56.287 0.060 0.000 0.935 268 K CB -0.980 31.560 32.500 0.066 0.000 1.912 268 K HN 0.750 nan 8.250 nan 0.000 0.396 269 E N 2.064 122.273 120.200 0.014 0.000 2.883 269 E HA 0.046 4.401 4.350 0.008 0.000 0.355 269 E C -1.256 175.324 176.600 -0.033 0.000 0.939 269 E CA -0.637 55.758 56.400 -0.008 0.000 0.783 269 E CB 0.774 30.470 29.700 -0.005 0.000 1.361 269 E HN 0.243 nan 8.360 nan 0.000 0.413 270 K N 1.305 121.685 120.400 -0.033 0.000 2.485 270 K HA 0.299 4.624 4.320 0.008 0.000 0.277 270 K C 1.069 177.620 176.600 -0.082 0.000 0.990 270 K CA 1.302 57.561 56.287 -0.048 0.000 0.994 270 K CB 0.460 32.943 32.500 -0.027 0.000 0.906 270 K HN 0.805 nan 8.250 nan 0.000 0.488 271 G N 1.534 110.259 108.800 -0.125 0.000 2.258 271 G HA2 -0.246 3.719 3.960 0.008 0.000 0.233 271 G HA3 -0.246 3.719 3.960 0.008 0.000 0.233 271 G C 0.126 174.907 174.900 -0.197 0.000 1.006 271 G CA -0.204 44.779 45.100 -0.195 0.000 0.620 271 G HN 0.507 nan 8.290 nan 0.000 0.511 272 I N 0.566 121.055 120.570 -0.135 0.000 2.785 272 I HA 0.701 4.876 4.170 0.008 0.000 0.302 272 I C -0.403 175.663 176.117 -0.086 0.000 1.069 272 I CA -1.048 60.196 61.300 -0.094 0.000 1.045 272 I CB 2.170 40.109 38.000 -0.101 0.000 1.236 272 I HN -0.002 nan 8.210 nan 0.000 0.429 273 L N 3.187 124.375 121.223 -0.058 0.000 2.493 273 L HA 0.543 4.887 4.340 0.008 0.000 0.265 273 L C -0.136 176.677 176.870 -0.095 0.000 0.954 273 L CA -0.635 54.139 54.840 -0.109 0.000 0.844 273 L CB 2.133 44.081 42.059 -0.186 0.000 1.302 273 L HN 0.708 nan 8.230 nan 0.000 0.405 274 A N 1.475 124.152 122.820 -0.238 0.000 2.425 274 A HA 0.102 4.427 4.320 0.008 0.000 0.242 274 A C 0.496 177.868 177.584 -0.354 0.000 1.077 274 A CA 0.168 51.982 52.037 -0.372 0.000 0.781 274 A CB 0.129 18.598 19.000 -0.886 0.000 1.020 274 A HN 0.762 nan 8.150 nan 0.000 0.494 275 Y N 2.107 122.242 120.300 -0.275 0.000 2.114 275 Y HA -0.360 4.195 4.550 0.009 0.000 0.282 275 Y C 2.055 177.840 175.900 -0.191 0.000 1.165 275 Y CA 3.030 61.043 58.100 -0.146 0.000 1.148 275 Y CB -0.832 37.627 38.460 -0.002 0.000 0.972 275 Y HN 0.853 nan 8.280 nan 0.000 0.504 276 Y N -0.800 119.353 120.300 -0.245 0.000 2.483 276 Y HA -0.027 4.528 4.550 0.008 0.000 0.291 276 Y C 1.739 177.314 175.900 -0.542 0.000 1.143 276 Y CA 1.054 58.852 58.100 -0.503 0.000 1.289 276 Y CB -1.175 36.824 38.460 -0.768 0.000 0.983 276 Y HN 0.243 nan 8.280 nan 0.000 0.556 277 E N 0.635 120.527 120.200 -0.514 0.000 2.140 277 E HA 0.013 4.367 4.350 0.008 0.000 0.191 277 E C 2.083 178.613 176.600 -0.116 0.000 0.973 277 E CA 0.765 57.042 56.400 -0.205 0.000 0.829 277 E CB -0.086 29.500 29.700 -0.189 0.000 0.781 277 E HN 0.509 nan 8.360 nan 0.000 0.466 278 I N 0.980 121.409 120.570 -0.234 0.000 2.286 278 I HA -0.315 3.860 4.170 0.008 0.000 0.248 278 I C 2.258 178.265 176.117 -0.183 0.000 1.115 278 I CA 0.623 61.792 61.300 -0.217 0.000 1.392 278 I CB -0.272 37.526 38.000 -0.337 0.000 1.065 278 I HN 0.261 nan 8.210 nan 0.000 0.418 279 c N 0.526 118.947 118.600 -0.297 0.000 2.413 279 c HA -0.210 4.365 4.570 0.008 0.000 0.277 279 c C 2.544 176.610 174.090 -0.040 0.000 1.265 279 c CA 1.448 57.645 56.329 -0.220 0.000 1.752 279 c CB -1.000 41.382 42.510 -0.214 0.000 1.998 279 c HN 0.565 nan 8.230 nan 0.000 0.489 280 D N -0.510 119.924 120.400 0.056 0.000 2.162 280 D HA -0.114 4.531 4.640 0.008 0.000 0.203 280 D C 1.830 178.182 176.300 0.086 0.000 0.967 280 D CA 0.707 54.778 54.000 0.118 0.000 0.840 280 D CB -0.346 40.595 40.800 0.235 0.000 0.972 280 D HN 0.444 nan 8.370 nan 0.000 0.482 281 F N 0.437 120.348 119.950 -0.065 0.000 2.171 281 F HA -0.090 4.441 4.527 0.007 0.000 0.300 281 F C 1.772 177.506 175.800 -0.109 0.000 1.090 281 F CA 0.802 58.752 58.000 -0.083 0.000 1.293 281 F CB -0.258 38.668 39.000 -0.123 0.000 1.013 281 F HN -0.017 nan 8.300 nan 0.000 0.486 282 L N 0.558 121.711 121.223 -0.117 0.000 2.349 282 L HA -0.156 4.189 4.340 0.008 0.000 0.220 282 L C 0.962 177.697 176.870 -0.225 0.000 1.130 282 L CA 1.186 55.900 54.840 -0.211 0.000 0.791 282 L CB -1.055 40.926 42.059 -0.131 0.000 0.918 282 L HN 0.272 nan 8.230 nan 0.000 0.444 283 Q N -0.442 119.251 119.800 -0.180 0.000 2.337 283 Q HA 0.457 4.801 4.340 0.008 0.000 0.255 283 Q C 0.831 176.724 176.000 -0.178 0.000 0.997 283 Q CA 0.396 56.113 55.803 -0.143 0.000 0.925 283 Q CB 0.432 29.120 28.738 -0.084 0.000 1.212 283 Q HN 0.292 nan 8.270 nan 0.000 0.436 284 G N 1.559 110.255 108.800 -0.173 0.000 2.144 284 G HA2 -0.148 3.817 3.960 0.008 0.000 0.218 284 G HA3 -0.148 3.817 3.960 0.008 0.000 0.218 284 G C 0.043 174.806 174.900 -0.227 0.000 0.988 284 G CA -0.175 44.826 45.100 -0.165 0.000 0.659 284 G HN 0.901 nan 8.290 nan 0.000 0.522 285 A N -0.431 122.215 122.820 -0.290 0.000 2.299 285 A HA 0.891 5.216 4.320 0.008 0.000 0.332 285 A C 0.267 177.700 177.584 -0.251 0.000 1.131 285 A CA 0.255 52.086 52.037 -0.343 0.000 0.844 285 A CB 1.145 19.839 19.000 -0.510 0.000 1.251 285 A HN 0.681 nan 8.150 nan 0.000 0.486 286 T N 2.104 116.502 114.554 -0.260 0.000 2.743 286 T HA 0.494 4.849 4.350 0.008 0.000 0.292 286 T C 0.150 174.497 174.700 -0.588 0.000 0.972 286 T CA -0.086 61.806 62.100 -0.347 0.000 0.967 286 T CB 0.361 69.064 68.868 -0.275 0.000 0.926 286 T HN 0.809 nan 8.240 nan 0.000 0.459 287 T N 2.149 116.394 114.554 -0.515 0.000 2.771 287 T HA 0.519 4.874 4.350 0.008 0.000 0.291 287 T C -0.411 173.889 174.700 -0.666 0.000 0.954 287 T CA -0.859 60.945 62.100 -0.494 0.000 1.045 287 T CB 0.755 69.499 68.868 -0.206 0.000 0.917 287 T HN 0.528 nan 8.240 nan 0.000 0.484 288 H N 1.673 120.446 119.070 -0.495 0.000 2.864 288 H HA 0.713 5.273 4.556 0.008 0.000 0.354 288 H C -0.407 174.618 175.328 -0.504 0.000 1.208 288 H CA -1.130 54.583 56.048 -0.558 0.000 1.191 288 H CB 2.034 31.242 29.762 -0.924 0.000 1.889 288 H HN 0.662 nan 8.280 nan 0.000 0.574 289 R N 1.197 121.608 120.500 -0.149 0.000 2.518 289 R HA 0.194 4.539 4.340 0.008 0.000 0.287 289 R C -1.451 174.874 176.300 0.041 0.000 1.135 289 R CA -0.607 55.442 56.100 -0.086 0.000 0.967 289 R CB 0.658 30.932 30.300 -0.043 0.000 1.212 289 R HN 0.238 nan 8.270 nan 0.000 0.422 290 F N 5.101 125.187 119.950 0.226 0.000 2.506 290 F HA 0.058 4.590 4.527 0.008 0.000 0.353 290 F C 1.928 177.775 175.800 0.078 0.000 1.194 290 F CA -0.084 58.007 58.000 0.153 0.000 1.048 290 F CB 0.354 39.419 39.000 0.108 0.000 1.160 290 F HN 0.583 nan 8.300 nan 0.000 0.598 291 R N 0.824 121.464 120.500 0.233 0.000 2.096 291 R HA -0.165 4.180 4.340 0.008 0.000 0.235 291 R C 1.553 177.936 176.300 0.138 0.000 1.127 291 R CA 1.917 58.104 56.100 0.144 0.000 0.968 291 R CB -0.321 30.044 30.300 0.108 0.000 0.861 291 R HN 0.398 nan 8.270 nan 0.000 0.440 292 D N 0.260 120.747 120.400 0.143 0.000 2.097 292 D HA -0.141 4.504 4.640 0.008 0.000 0.195 292 D C 1.493 177.875 176.300 0.136 0.000 0.989 292 D CA 1.446 55.504 54.000 0.097 0.000 0.827 292 D CB 0.067 40.903 40.800 0.060 0.000 0.966 292 D HN 0.497 nan 8.370 nan 0.000 0.456 293 Q N -0.695 119.188 119.800 0.138 0.000 2.356 293 Q HA 0.156 4.501 4.340 0.008 0.000 0.205 293 Q C -0.177 175.863 176.000 0.067 0.000 0.901 293 Q CA -0.022 55.843 55.803 0.102 0.000 0.938 293 Q CB 0.729 29.447 28.738 -0.033 0.000 1.081 293 Q HN 0.119 nan 8.270 nan 0.000 0.517 294 Q N -0.864 119.001 119.800 0.109 0.000 2.493 294 Q HA -0.115 4.229 4.340 0.008 0.000 0.278 294 Q C -0.855 175.126 176.000 -0.032 0.000 1.198 294 Q CA 0.893 56.728 55.803 0.054 0.000 0.880 294 Q CB -2.633 26.133 28.738 0.047 0.000 1.260 294 Q HN 0.307 nan 8.270 nan 0.000 0.470 295 V N -3.429 116.472 119.914 -0.021 0.000 2.888 295 V HA 0.838 4.963 4.120 0.008 0.000 0.309 295 V C -2.549 173.526 176.094 -0.031 0.000 1.114 295 V CA -2.052 60.178 62.300 -0.116 0.000 0.940 295 V CB 2.606 34.155 31.823 -0.456 0.000 1.021 295 V HN -0.084 nan 8.190 nan 0.000 0.426 296 P HA 0.587 nan 4.420 nan 0.000 0.281 296 P C -1.836 175.332 177.300 -0.220 0.000 1.281 296 P CA -0.322 62.615 63.100 -0.272 0.000 0.811 296 P CB 1.429 32.822 31.700 -0.511 0.000 1.154 297 Y N -2.554 117.549 120.300 -0.329 0.000 2.480 297 Y HA 0.730 5.284 4.550 0.007 0.000 0.329 297 Y C -1.779 174.016 175.900 -0.175 0.000 1.127 297 Y CA -1.338 56.575 58.100 -0.311 0.000 1.037 297 Y CB 0.377 38.411 38.460 -0.709 0.000 1.320 297 Y HN 0.608 nan 8.280 nan 0.000 0.446 298 A N 2.065 124.846 122.820 -0.064 0.000 2.288 298 A HA 0.980 5.305 4.320 0.008 0.000 0.328 298 A C -0.784 176.748 177.584 -0.086 0.000 1.123 298 A CA -0.748 51.220 52.037 -0.114 0.000 0.861 298 A CB 1.467 20.516 19.000 0.082 0.000 1.272 298 A HN 0.847 nan 8.150 nan 0.000 0.490 299 T N 0.752 115.289 114.554 -0.029 0.000 2.993 299 T HA 0.572 4.927 4.350 0.008 0.000 0.312 299 T C -1.074 173.656 174.700 0.049 0.000 1.115 299 T CA -0.584 61.597 62.100 0.136 0.000 1.027 299 T CB 1.340 70.340 68.868 0.219 0.000 1.116 299 T HN 0.627 nan 8.240 nan 0.000 0.464 300 K N 1.704 122.188 120.400 0.140 0.000 2.588 300 K HA 0.521 4.846 4.320 0.008 0.000 0.250 300 K C 0.685 177.353 176.600 0.113 0.000 0.972 300 K CA 0.110 56.394 56.287 -0.006 0.000 0.821 300 K CB 1.335 33.647 32.500 -0.314 0.000 1.249 300 K HN 0.919 nan 8.250 nan 0.000 0.442 301 G N 3.578 112.424 108.800 0.077 0.000 2.622 301 G HA2 -0.389 3.576 3.960 0.008 0.000 0.307 301 G HA3 -0.389 3.576 3.960 0.008 0.000 0.307 301 G C -0.028 174.957 174.900 0.142 0.000 1.226 301 G CA 0.633 45.791 45.100 0.096 0.000 0.997 301 G HN 0.817 nan 8.290 nan 0.000 0.551 302 N N 1.179 119.971 118.700 0.153 0.000 2.453 302 N HA 0.213 4.958 4.740 0.008 0.000 0.270 302 N C -0.231 175.414 175.510 0.225 0.000 1.195 302 N CA 0.107 53.261 53.050 0.173 0.000 0.902 302 N CB 0.809 39.374 38.487 0.130 0.000 1.186 302 N HN 0.555 nan 8.380 nan 0.000 0.510 303 Q N 0.554 120.525 119.800 0.285 0.000 2.331 303 Q HA 0.255 4.600 4.340 0.008 0.000 0.267 303 Q C -1.553 174.720 176.000 0.456 0.000 1.006 303 Q CA -0.299 55.705 55.803 0.334 0.000 0.818 303 Q CB 2.061 31.009 28.738 0.350 0.000 1.276 303 Q HN 0.477 nan 8.270 nan 0.000 0.450 304 W N 3.705 125.157 121.300 0.253 0.000 2.538 304 W HA 0.569 5.233 4.660 0.007 0.000 0.322 304 W C -1.330 175.361 176.519 0.287 0.000 1.028 304 W CA -0.557 56.977 57.345 0.315 0.000 1.228 304 W CB 1.130 30.768 29.460 0.297 0.000 1.356 304 W HN 0.284 nan 8.180 nan 0.000 0.452 305 V N 5.827 125.703 119.914 -0.064 0.000 2.448 305 V HA 0.732 4.857 4.120 0.008 0.000 0.295 305 V C -0.027 175.938 176.094 -0.216 0.000 1.025 305 V CA -0.969 61.271 62.300 -0.100 0.000 0.859 305 V CB 1.242 32.897 31.823 -0.281 0.000 0.988 305 V HN 0.660 nan 8.190 nan 0.000 0.431 306 A N 5.632 128.444 122.820 -0.014 0.000 2.260 306 A HA 0.900 5.224 4.320 0.008 0.000 0.314 306 A C -0.896 176.740 177.584 0.087 0.000 1.257 306 A CA -0.338 51.662 52.037 -0.062 0.000 0.871 306 A CB 0.436 19.454 19.000 0.030 0.000 1.166 306 A HN 1.174 nan 8.150 nan 0.000 0.522 307 Y N -0.628 119.638 120.300 -0.056 0.000 2.744 307 Y HA 0.760 5.315 4.550 0.008 0.000 0.330 307 Y C -1.480 174.507 175.900 0.146 0.000 1.263 307 Y CA -1.856 56.276 58.100 0.054 0.000 1.065 307 Y CB 0.566 39.066 38.460 0.066 0.000 1.306 307 Y HN 0.450 nan 8.280 nan 0.000 0.459 308 D N 1.385 121.862 120.400 0.128 0.000 2.375 308 D HA 0.336 4.981 4.640 0.008 0.000 0.247 308 D C -1.355 174.975 176.300 0.051 0.000 1.061 308 D CA -0.399 53.589 54.000 -0.020 0.000 0.834 308 D CB 1.308 42.090 40.800 -0.029 0.000 1.247 308 D HN 0.614 nan 8.370 nan 0.000 0.489 309 D N 0.997 121.392 120.400 -0.008 0.000 2.392 309 D HA 0.114 4.759 4.640 0.008 0.000 0.246 309 D C 0.723 177.025 176.300 0.003 0.000 1.013 309 D CA -0.551 53.506 54.000 0.095 0.000 0.993 309 D CB 0.991 41.916 40.800 0.209 0.000 1.219 309 D HN 0.267 nan 8.370 nan 0.000 0.538 310 Q N -0.604 119.215 119.800 0.030 0.000 2.197 310 Q HA -0.284 4.061 4.340 0.008 0.000 0.211 310 Q C 1.431 177.443 176.000 0.020 0.000 0.993 310 Q CA 2.208 58.024 55.803 0.022 0.000 0.883 310 Q CB -0.071 28.704 28.738 0.061 0.000 0.916 310 Q HN 0.572 nan 8.270 nan 0.000 0.418 311 E N 0.445 120.659 120.200 0.025 0.000 2.001 311 E HA -0.175 4.180 4.350 0.008 0.000 0.193 311 E C 2.037 178.638 176.600 0.001 0.000 0.994 311 E CA 1.862 58.272 56.400 0.016 0.000 0.815 311 E CB -0.287 29.422 29.700 0.015 0.000 0.770 311 E HN 0.313 nan 8.360 nan 0.000 0.453 312 S N -0.480 115.206 115.700 -0.023 0.000 2.402 312 S HA -0.170 4.305 4.470 0.008 0.000 0.233 312 S C 2.159 176.742 174.600 -0.029 0.000 1.030 312 S CA 1.441 59.617 58.200 -0.041 0.000 1.003 312 S CB -0.727 62.425 63.200 -0.080 0.000 0.813 312 S HN 0.140 nan 8.310 nan 0.000 0.477 313 V N 2.065 121.967 119.914 -0.020 0.000 2.379 313 V HA -0.067 4.058 4.120 0.008 0.000 0.245 313 V C 2.641 178.745 176.094 0.017 0.000 1.044 313 V CA 1.842 64.140 62.300 -0.004 0.000 1.036 313 V CB -0.537 31.277 31.823 -0.016 0.000 0.664 313 V HN 0.524 nan 8.190 nan 0.000 0.453 314 K N -0.054 120.357 120.400 0.018 0.000 2.211 314 K HA -0.142 4.183 4.320 0.008 0.000 0.203 314 K C 1.994 178.615 176.600 0.035 0.000 1.050 314 K CA 1.150 57.453 56.287 0.026 0.000 0.945 314 K CB -0.276 32.239 32.500 0.025 0.000 0.732 314 K HN 0.508 nan 8.250 nan 0.000 0.451 315 N N 1.360 120.077 118.700 0.029 0.000 2.106 315 N HA -0.144 4.601 4.740 0.008 0.000 0.188 315 N C 1.444 176.985 175.510 0.052 0.000 1.029 315 N CA 1.083 54.157 53.050 0.040 0.000 0.848 315 N CB 0.192 38.689 38.487 0.017 0.000 1.007 315 N HN 0.149 nan 8.380 nan 0.000 0.423 316 K N 0.617 121.031 120.400 0.023 0.000 2.097 316 K HA -0.036 4.289 4.320 0.008 0.000 0.205 316 K C 2.111 178.787 176.600 0.127 0.000 1.050 316 K CA 0.992 57.303 56.287 0.041 0.000 0.938 316 K CB -0.092 32.415 32.500 0.011 0.000 0.718 316 K HN 0.166 nan 8.250 nan 0.000 0.442 317 A N 1.945 124.819 122.820 0.090 0.000 1.940 317 A HA -0.189 4.135 4.320 0.008 0.000 0.219 317 A C 2.090 179.724 177.584 0.083 0.000 1.176 317 A CA 1.354 53.442 52.037 0.085 0.000 0.631 317 A CB -0.375 18.654 19.000 0.048 0.000 0.814 317 A HN 0.227 nan 8.150 nan 0.000 0.446 318 R N -2.365 118.187 120.500 0.086 0.000 2.092 318 R HA -0.096 4.249 4.340 0.008 0.000 0.231 318 R C 2.130 178.501 176.300 0.119 0.000 1.119 318 R CA 1.416 57.562 56.100 0.078 0.000 0.970 318 R CB -0.544 29.804 30.300 0.080 0.000 0.864 318 R HN 0.670 nan 8.270 nan 0.000 0.440 319 Y N 2.841 123.168 120.300 0.044 0.000 2.053 319 Y HA -0.270 4.286 4.550 0.008 0.000 0.277 319 Y C 2.147 178.088 175.900 0.069 0.000 1.159 319 Y CA 1.855 59.987 58.100 0.054 0.000 1.125 319 Y CB -0.405 38.058 38.460 0.005 0.000 0.969 319 Y HN 0.002 nan 8.280 nan 0.000 0.492 320 L N -0.243 121.060 121.223 0.135 0.000 2.263 320 L HA -0.197 4.148 4.340 0.008 0.000 0.216 320 L C 1.629 178.523 176.870 0.040 0.000 1.111 320 L CA 2.016 56.890 54.840 0.058 0.000 0.773 320 L CB -1.173 40.979 42.059 0.155 0.000 0.906 320 L HN 0.343 nan 8.230 nan 0.000 0.439 321 K N 0.390 120.831 120.400 0.069 0.000 2.076 321 K HA -0.031 4.294 4.320 0.008 0.000 0.204 321 K C 1.746 178.376 176.600 0.049 0.000 1.051 321 K CA 0.992 57.354 56.287 0.126 0.000 0.949 321 K CB -0.055 32.480 32.500 0.057 0.000 0.726 321 K HN 0.404 nan 8.250 nan 0.000 0.443 322 N N 0.985 119.664 118.700 -0.035 0.000 2.459 322 N HA -0.062 4.683 4.740 0.008 0.000 0.181 322 N C 1.167 176.616 175.510 -0.102 0.000 1.046 322 N CA 0.751 53.770 53.050 -0.052 0.000 0.904 322 N CB 0.110 38.568 38.487 -0.049 0.000 0.964 322 N HN 0.137 nan 8.380 nan 0.000 0.444 323 R N 0.673 121.061 120.500 -0.187 0.000 2.359 323 R HA 0.162 4.507 4.340 0.008 0.000 0.231 323 R C -0.228 176.022 176.300 -0.083 0.000 0.913 323 R CA -0.028 55.967 56.100 -0.176 0.000 1.075 323 R CB 0.195 30.309 30.300 -0.311 0.000 1.087 323 R HN 0.210 nan 8.270 nan 0.000 0.515 324 Q N 0.766 120.544 119.800 -0.037 0.000 2.451 324 Q HA -0.188 4.157 4.340 0.008 0.000 0.305 324 Q C -0.676 175.292 176.000 -0.053 0.000 1.345 324 Q CA 0.408 56.196 55.803 -0.024 0.000 0.854 324 Q CB -1.690 27.029 28.738 -0.032 0.000 1.162 324 Q HN 0.378 nan 8.270 nan 0.000 0.440 325 L N -1.302 119.903 121.223 -0.030 0.000 2.468 325 L HA 0.406 4.751 4.340 0.008 0.000 0.254 325 L C 1.675 178.488 176.870 -0.095 0.000 1.171 325 L CA 0.257 55.077 54.840 -0.033 0.000 0.809 325 L CB 0.195 42.267 42.059 0.021 0.000 1.155 325 L HN 0.291 nan 8.230 nan 0.000 0.473 326 A N 0.492 123.264 122.820 -0.080 0.000 1.969 326 A HA 0.322 4.647 4.320 0.008 0.000 0.218 326 A C 0.956 178.468 177.584 -0.120 0.000 1.169 326 A CA 1.484 53.438 52.037 -0.138 0.000 0.635 326 A CB -0.393 18.555 19.000 -0.088 0.000 0.810 326 A HN 0.974 nan 8.150 nan 0.000 0.445 327 G N -3.089 105.710 108.800 -0.002 0.000 2.367 327 G HA2 0.578 4.542 3.960 0.008 0.000 0.272 327 G HA3 0.578 4.542 3.960 0.008 0.000 0.272 327 G C -0.890 174.074 174.900 0.107 0.000 1.271 327 G CA -0.073 45.080 45.100 0.089 0.000 0.893 327 G HN 1.151 nan 8.290 nan 0.000 0.485 328 A N -0.463 122.424 122.820 0.110 0.000 2.322 328 A HA 0.900 5.225 4.320 0.008 0.000 0.327 328 A C -0.329 177.338 177.584 0.138 0.000 1.134 328 A CA -0.562 51.554 52.037 0.132 0.000 0.831 328 A CB 1.867 20.946 19.000 0.132 0.000 1.288 328 A HN 1.370 nan 8.150 nan 0.000 0.472 329 M N 2.015 121.737 119.600 0.203 0.000 2.326 329 M HA 0.517 5.002 4.480 0.008 0.000 0.292 329 M C -2.172 174.335 176.300 0.345 0.000 1.081 329 M CA -0.483 54.984 55.300 0.278 0.000 0.919 329 M CB 1.624 34.433 32.600 0.349 0.000 1.634 329 M HN 0.384 nan 8.290 nan 0.000 0.451 330 V N 5.494 125.619 119.914 0.351 0.000 2.350 330 V HA 0.308 4.433 4.120 0.008 0.000 0.285 330 V C -0.610 175.760 176.094 0.461 0.000 1.014 330 V CA -0.704 61.807 62.300 0.351 0.000 0.831 330 V CB 1.577 33.525 31.823 0.209 0.000 1.000 330 V HN 0.883 nan 8.190 nan 0.000 0.433 331 W N 6.485 127.985 121.300 0.333 0.000 2.419 331 W HA 0.528 5.193 4.660 0.008 0.000 0.312 331 W C 0.337 176.959 176.519 0.172 0.000 1.323 331 W CA 0.299 57.805 57.345 0.269 0.000 1.293 331 W CB 0.756 30.332 29.460 0.194 0.000 1.324 331 W HN 0.947 nan 8.180 nan 0.000 0.512 332 A N 5.771 128.192 122.820 -0.665 0.000 2.050 332 A HA -0.239 4.086 4.320 0.008 0.000 0.273 332 A C 0.223 177.674 177.584 -0.220 0.000 1.260 332 A CA 0.255 51.874 52.037 -0.696 0.000 0.657 332 A CB -1.534 17.044 19.000 -0.703 0.000 1.412 332 A HN 0.832 nan 8.150 nan 0.000 0.281 333 L N 0.850 121.983 121.223 -0.151 0.000 2.141 333 L HA -0.145 4.200 4.340 0.008 0.000 0.209 333 L C 2.242 179.176 176.870 0.107 0.000 1.094 333 L CA 2.225 57.108 54.840 0.072 0.000 0.763 333 L CB -0.240 41.860 42.059 0.068 0.000 0.908 333 L HN 1.002 nan 8.230 nan 0.000 0.437 334 D N -0.949 119.359 120.400 -0.153 0.000 2.363 334 D HA -0.135 4.510 4.640 0.008 0.000 0.220 334 D C 1.824 178.099 176.300 -0.042 0.000 0.994 334 D CA 0.581 54.395 54.000 -0.310 0.000 0.890 334 D CB -0.054 40.448 40.800 -0.496 0.000 0.906 334 D HN 0.295 nan 8.370 nan 0.000 0.530 335 L N -0.441 120.774 121.223 -0.013 0.000 2.585 335 L HA 0.190 4.535 4.340 0.008 0.000 0.226 335 L C 0.915 177.892 176.870 0.177 0.000 1.113 335 L CA -0.219 54.645 54.840 0.040 0.000 0.876 335 L CB -0.036 42.008 42.059 -0.024 0.000 1.072 335 L HN 0.077 nan 8.230 nan 0.000 0.468 336 D N 0.257 120.837 120.400 0.300 0.000 2.433 336 D HA -0.027 4.618 4.640 0.008 0.000 0.255 336 D C -0.290 176.289 176.300 0.465 0.000 1.226 336 D CA -0.245 53.978 54.000 0.371 0.000 1.015 336 D CB 1.067 42.099 40.800 0.387 0.000 1.091 336 D HN -0.160 nan 8.370 nan 0.000 0.527 337 D N 0.382 120.989 120.400 0.344 0.000 2.608 337 D HA 0.022 4.667 4.640 0.008 0.000 0.224 337 D C 0.910 177.092 176.300 -0.198 0.000 1.123 337 D CA -0.298 53.769 54.000 0.112 0.000 1.030 337 D CB -0.977 39.906 40.800 0.137 0.000 1.093 337 D HN 0.306 nan 8.370 nan 0.000 0.497 338 F N 0.554 120.251 119.950 -0.421 0.000 2.365 338 F HA 0.083 4.615 4.527 0.008 0.000 0.300 338 F C 1.715 177.170 175.800 -0.574 0.000 1.090 338 F CA 0.446 57.864 58.000 -0.970 0.000 1.408 338 F CB -0.388 38.225 39.000 -0.645 0.000 1.060 338 F HN 0.075 nan 8.300 nan 0.000 0.534 339 R N 0.523 120.528 120.500 -0.824 0.000 2.210 339 R HA 0.207 4.552 4.340 0.008 0.000 0.203 339 R C 1.735 177.870 176.300 -0.275 0.000 1.010 339 R CA 0.625 56.427 56.100 -0.497 0.000 1.008 339 R CB -0.466 29.513 30.300 -0.536 0.000 0.923 339 R HN 0.527 nan 8.270 nan 0.000 0.469 340 G N 1.173 109.835 108.800 -0.229 0.000 2.160 340 G HA2 -0.304 3.661 3.960 0.008 0.000 0.251 340 G HA3 -0.304 3.661 3.960 0.008 0.000 0.251 340 G C 0.716 175.569 174.900 -0.078 0.000 1.008 340 G CA 0.985 46.025 45.100 -0.099 0.000 0.724 340 G HN 0.488 nan 8.290 nan 0.000 0.514 341 T N -4.017 110.470 114.554 -0.110 0.000 3.044 341 T HA 0.485 4.840 4.350 0.008 0.000 0.260 341 T C 1.624 176.167 174.700 -0.261 0.000 1.019 341 T CA 0.716 62.703 62.100 -0.189 0.000 0.921 341 T CB -0.012 68.686 68.868 -0.283 0.000 1.053 341 T HN 0.133 nan 8.240 nan 0.000 0.533 342 F N 1.763 121.609 119.950 -0.173 0.000 2.317 342 F HA 0.358 4.889 4.527 0.007 0.000 0.290 342 F C 1.288 177.030 175.800 -0.098 0.000 1.075 342 F CA -0.808 57.114 58.000 -0.129 0.000 1.380 342 F CB 0.028 38.951 39.000 -0.128 0.000 1.093 342 F HN 0.158 nan 8.300 nan 0.000 0.524 343 c N 1.666 120.331 118.600 0.108 0.000 2.256 343 c HA 0.561 5.136 4.570 0.008 0.000 0.333 343 c C 1.789 175.895 174.090 0.027 0.000 1.183 343 c CA -0.857 55.493 56.329 0.035 0.000 1.692 343 c CB -0.578 41.952 42.510 0.033 0.000 2.274 343 c HN 0.812 nan 8.230 nan 0.000 0.509 344 G N 4.032 112.836 108.800 0.008 0.000 3.562 344 G HA2 -0.319 3.646 3.960 0.008 0.000 0.296 344 G HA3 -0.319 3.646 3.960 0.008 0.000 0.296 344 G C 0.595 175.499 174.900 0.007 0.000 0.884 344 G CA 1.118 46.219 45.100 0.001 0.000 0.739 344 G HN 1.046 nan 8.290 nan 0.000 1.278 345 Q N 1.145 120.958 119.800 0.022 0.000 2.943 345 Q HA -0.136 4.209 4.340 0.008 0.000 0.398 345 Q C -0.572 175.439 176.000 0.019 0.000 1.173 345 Q CA 1.379 57.197 55.803 0.025 0.000 1.154 345 Q CB -0.326 28.439 28.738 0.045 0.000 1.158 345 Q HN 0.636 nan 8.270 nan 0.000 0.479 346 N N 3.061 121.767 118.700 0.010 0.000 2.807 346 N HA 0.356 5.100 4.740 0.008 0.000 0.259 346 N C -0.976 174.544 175.510 0.017 0.000 1.149 346 N CA -0.105 52.946 53.050 0.001 0.000 1.042 346 N CB 0.448 38.929 38.487 -0.010 0.000 1.367 346 N HN 0.439 nan 8.380 nan 0.000 0.516 347 L N 0.738 121.978 121.223 0.029 0.000 2.431 347 L HA 0.473 4.817 4.340 0.008 0.000 0.266 347 L C -0.588 176.311 176.870 0.049 0.000 0.978 347 L CA -0.571 54.300 54.840 0.052 0.000 0.822 347 L CB 2.238 44.341 42.059 0.073 0.000 1.310 347 L HN 0.171 nan 8.230 nan 0.000 0.409 348 T N 2.905 117.497 114.554 0.064 0.000 2.837 348 T HA 0.436 4.791 4.350 0.008 0.000 0.285 348 T C -0.189 174.601 174.700 0.149 0.000 0.984 348 T CA 0.154 62.267 62.100 0.021 0.000 1.049 348 T CB 0.104 68.993 68.868 0.035 0.000 0.947 348 T HN 0.450 nan 8.240 nan 0.000 0.472 349 F N 4.007 124.041 119.950 0.139 0.000 2.983 349 F HA -0.144 4.388 4.527 0.008 0.000 0.288 349 F C -1.368 174.504 175.800 0.120 0.000 0.980 349 F CA 0.230 58.318 58.000 0.146 0.000 0.965 349 F CB -1.536 37.538 39.000 0.123 0.000 0.967 349 F HN 0.547 nan 8.300 nan 0.000 0.800 350 P HA -0.216 nan 4.420 nan 0.000 0.214 350 P C 1.922 179.304 177.300 0.138 0.000 1.163 350 P CA 1.404 64.617 63.100 0.190 0.000 0.883 350 P CB 0.308 32.145 31.700 0.229 0.000 0.788 351 L N -0.141 121.133 121.223 0.085 0.000 1.994 351 L HA -0.118 4.227 4.340 0.008 0.000 0.208 351 L C 2.707 179.611 176.870 0.058 0.000 1.071 351 L CA 2.289 57.116 54.840 -0.021 0.000 0.745 351 L CB -2.080 39.875 42.059 -0.174 0.000 0.892 351 L HN -0.003 nan 8.230 nan 0.000 0.431 352 T N -1.411 113.217 114.554 0.125 0.000 2.803 352 T HA -0.158 4.197 4.350 0.008 0.000 0.269 352 T C 2.060 176.813 174.700 0.090 0.000 1.052 352 T CA 1.494 63.659 62.100 0.108 0.000 1.136 352 T CB -0.228 68.706 68.868 0.109 0.000 0.864 352 T HN 0.277 nan 8.240 nan 0.000 0.467 353 S N 1.316 117.089 115.700 0.121 0.000 2.368 353 S HA 0.023 4.498 4.470 0.008 0.000 0.224 353 S C 2.631 177.270 174.600 0.066 0.000 1.029 353 S CA 0.812 59.070 58.200 0.097 0.000 0.988 353 S CB -0.547 62.728 63.200 0.126 0.000 0.838 353 S HN 0.607 nan 8.310 nan 0.000 0.462 354 A N 1.349 124.207 122.820 0.063 0.000 1.917 354 A HA -0.104 4.221 4.320 0.008 0.000 0.219 354 A C 2.328 179.932 177.584 0.034 0.000 1.182 354 A CA 1.793 53.856 52.037 0.043 0.000 0.633 354 A CB -0.988 18.033 19.000 0.035 0.000 0.819 354 A HN 0.357 nan 8.150 nan 0.000 0.448 355 V N 0.235 120.173 119.914 0.040 0.000 2.307 355 V HA -0.264 3.861 4.120 0.008 0.000 0.245 355 V C 2.523 178.632 176.094 0.026 0.000 1.045 355 V CA 2.317 64.641 62.300 0.039 0.000 1.024 355 V CB -0.712 31.146 31.823 0.058 0.000 0.651 355 V HN 0.696 nan 8.190 nan 0.000 0.449 356 K N -0.059 120.360 120.400 0.032 0.000 2.103 356 K HA -0.253 4.072 4.320 0.008 0.000 0.207 356 K C 1.785 178.387 176.600 0.003 0.000 1.048 356 K CA 1.973 58.273 56.287 0.022 0.000 0.930 356 K CB -0.225 32.293 32.500 0.030 0.000 0.716 356 K HN 0.456 nan 8.250 nan 0.000 0.444 357 D N 0.179 120.584 120.400 0.009 0.000 2.144 357 D HA -0.114 4.531 4.640 0.008 0.000 0.200 357 D C 1.965 178.249 176.300 -0.026 0.000 0.978 357 D CA 0.816 54.814 54.000 -0.003 0.000 0.833 357 D CB -0.067 40.739 40.800 0.010 0.000 0.961 357 D HN 0.037 nan 8.370 nan 0.000 0.470 358 V N 0.893 120.792 119.914 -0.026 0.000 2.270 358 V HA -0.203 3.922 4.120 0.008 0.000 0.245 358 V C 2.384 178.406 176.094 -0.119 0.000 1.043 358 V CA 1.049 63.319 62.300 -0.050 0.000 1.014 358 V CB -0.327 31.481 31.823 -0.024 0.000 0.645 358 V HN 0.128 nan 8.190 nan 0.000 0.447 359 L N 0.530 121.677 121.223 -0.127 0.000 2.191 359 L HA -0.068 4.277 4.340 0.008 0.000 0.212 359 L C 2.495 179.203 176.870 -0.271 0.000 1.103 359 L CA 2.002 56.682 54.840 -0.266 0.000 0.769 359 L CB -1.384 40.602 42.059 -0.121 0.000 0.908 359 L HN 0.316 nan 8.230 nan 0.000 0.438 360 A N -1.195 121.549 122.820 -0.127 0.000 2.121 360 A HA -0.097 4.228 4.320 0.008 0.000 0.218 360 A C 1.912 179.440 177.584 -0.092 0.000 1.154 360 A CA 0.688 52.677 52.037 -0.080 0.000 0.679 360 A CB -0.275 18.705 19.000 -0.034 0.000 0.795 360 A HN 0.295 nan 8.150 nan 0.000 0.458 361 R N -1.026 119.402 120.500 -0.120 0.000 2.716 361 R HA 0.600 4.945 4.340 0.008 0.000 0.202 361 R C 0.585 176.805 176.300 -0.132 0.000 1.114 361 R CA 0.247 56.288 56.100 -0.098 0.000 1.084 361 R CB 0.108 30.361 30.300 -0.078 0.000 1.282 361 R HN 0.327 nan 8.270 nan 0.000 0.506 362 A N 0.000 122.765 122.820 -0.092 0.000 2.254 362 A HA 0.000 4.325 4.320 0.008 0.000 0.244 362 A CA 0.000 51.999 52.037 -0.063 0.000 0.836 362 A CB 0.000 18.993 19.000 -0.011 0.000 0.831 362 A HN 0.000 nan 8.150 nan 0.000 0.486