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 2ijg_1_X DATA FIRST_RESID 1 DATA SEQUENCE MNDHIHRVPA LTEEEIDSVA IKTFERYALP SXXXXKRKGK GVTILWFRND DATA SEQUENCE LRVLDNDALY KAWSSSDTIL PVYCLDPRLF HTTHFFNFPK TGALRGGFLM DATA SEQUENCE ECLVDLRKNL MKRGLNLLIR SGKPEEILPS LAKDFGARTV FAHKETCSEE DATA SEQUENCE VDVERLVNQG LKRVNSTKLE LIWGSTMYHK DDLPFDVFDL PDVYTQFRKS DATA SEQUENCE VEAKCSIRSS TRIPLSLGPT PSVDDWGDVP TLEKLGVEPQ EVTRGMRFVG DATA SEQUENCE GESAGVGRVF EYFWKKDLLK VYKETRNGML GPDYSTKFSP WLAFGCISPR DATA SEQUENCE FIYEEVQRYE KERVANNSTY WVLFELIWRD YFRFLSIKCG NSLFHLGGPR DATA SEQUENCE NVQGKWSQDQ KLFESWRDAK TGYPLIDANM KELSTTGFMS NRGRQIVCSF DATA SEQUENCE LVRDMGLDWR MGAEWFETCL LDYDPCSNYG NWTYGAGVGN DPREDRYFSI DATA SEQUENCE PKQAQNYDPE GEYVAFWLQQ LRRLPKEKRH WPGRLMYMDT VVPLKH 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.298 176.300 -0.004 0.000 1.140 1 M CA 0.000 55.299 55.300 -0.002 0.000 0.988 1 M CB 0.000 32.601 32.600 0.001 0.000 1.302 2 N N 2.510 121.206 118.700 -0.007 0.000 2.586 2 N HA 0.028 4.767 4.740 -0.002 0.000 0.206 2 N C -0.792 174.697 175.510 -0.036 0.000 1.377 2 N CA 0.467 53.509 53.050 -0.014 0.000 0.871 2 N CB -0.405 38.077 38.487 -0.007 0.000 1.107 2 N HN 0.356 nan 8.380 nan 0.000 0.462 3 D N -0.549 119.834 120.400 -0.028 0.000 2.389 3 D HA 0.077 4.716 4.640 -0.002 0.000 0.247 3 D C 0.124 176.414 176.300 -0.018 0.000 1.128 3 D CA 0.082 54.046 54.000 -0.060 0.000 0.884 3 D CB 0.300 41.113 40.800 0.022 0.000 1.194 3 D HN 0.285 nan 8.370 nan 0.000 0.441 4 H N 0.007 119.023 119.070 -0.090 0.000 2.958 4 H HA -0.183 4.371 4.556 -0.003 0.000 0.274 4 H C -0.447 174.675 175.328 -0.345 0.000 1.184 4 H CA 0.405 56.376 56.048 -0.129 0.000 1.143 4 H CB -1.603 28.094 29.762 -0.108 0.000 1.297 4 H HN 0.358 nan 8.280 nan 0.000 0.356 5 I N 1.919 122.329 120.570 -0.266 0.000 2.339 5 I HA 0.208 4.377 4.170 -0.002 0.000 0.290 5 I C 0.100 176.060 176.117 -0.263 0.000 0.994 5 I CA -0.594 60.570 61.300 -0.227 0.000 1.191 5 I CB 0.926 38.888 38.000 -0.063 0.000 1.343 5 I HN 0.198 nan 8.210 nan 0.000 0.458 6 H N 6.168 125.262 119.070 0.039 0.000 2.595 6 H HA 0.357 4.912 4.556 -0.002 0.000 0.313 6 H C -0.337 174.960 175.328 -0.053 0.000 1.023 6 H CA -0.728 55.309 56.048 -0.017 0.000 1.218 6 H CB 1.127 30.862 29.762 -0.045 0.000 1.403 6 H HN 0.459 nan 8.280 nan 0.000 0.477 7 R N 2.199 122.745 120.500 0.077 0.000 2.442 7 R HA 0.317 4.655 4.340 -0.002 0.000 0.291 7 R C -0.853 175.444 176.300 -0.006 0.000 1.069 7 R CA -0.301 55.819 56.100 0.033 0.000 1.022 7 R CB 0.407 30.738 30.300 0.052 0.000 0.976 7 R HN 0.308 nan 8.270 nan 0.000 0.443 8 V N 7.939 127.821 119.914 -0.054 0.000 2.407 8 V HA 0.334 4.453 4.120 -0.002 0.000 0.291 8 V C -2.169 174.101 176.094 0.293 0.000 1.018 8 V CA -2.125 60.152 62.300 -0.038 0.000 0.842 8 V CB 1.623 33.157 31.823 -0.481 0.000 0.996 8 V HN 0.823 nan 8.190 nan 0.000 0.426 9 P HA 0.241 nan 4.420 nan 0.000 0.273 9 P C 0.568 177.909 177.300 0.069 0.000 1.250 9 P CA -0.194 62.961 63.100 0.091 0.000 0.793 9 P CB 0.909 32.638 31.700 0.048 0.000 1.011 10 A N 1.158 124.007 122.820 0.048 0.000 2.119 10 A HA 0.033 4.351 4.320 -0.002 0.000 0.216 10 A C 0.949 178.564 177.584 0.051 0.000 1.152 10 A CA 0.440 52.502 52.037 0.043 0.000 0.708 10 A CB -1.121 17.896 19.000 0.028 0.000 0.805 10 A HN 0.458 nan 8.150 nan 0.000 0.460 11 L N 1.417 122.679 121.223 0.064 0.000 2.554 11 L HA 0.037 4.376 4.340 -0.002 0.000 0.293 11 L C 1.284 178.178 176.870 0.040 0.000 1.252 11 L CA 0.236 55.114 54.840 0.063 0.000 0.862 11 L CB -0.182 41.923 42.059 0.077 0.000 1.113 11 L HN 0.451 nan 8.230 nan 0.000 0.510 12 T N -2.188 112.383 114.554 0.028 0.000 2.849 12 T HA 0.070 4.419 4.350 -0.002 0.000 0.284 12 T C 0.948 175.649 174.700 0.002 0.000 1.004 12 T CA -0.490 61.619 62.100 0.015 0.000 1.021 12 T CB 1.360 70.233 68.868 0.009 0.000 1.013 12 T HN 0.786 nan 8.240 nan 0.000 0.527 13 E N 0.728 120.926 120.200 -0.002 0.000 2.097 13 E HA -0.282 4.066 4.350 -0.002 0.000 0.196 13 E C 1.732 178.313 176.600 -0.032 0.000 1.000 13 E CA 1.957 58.347 56.400 -0.015 0.000 0.804 13 E CB -0.151 29.541 29.700 -0.014 0.000 0.740 13 E HN 0.862 nan 8.360 nan 0.000 0.454 14 E N 0.422 120.605 120.200 -0.028 0.000 2.051 14 E HA -0.210 4.139 4.350 -0.002 0.000 0.192 14 E C 2.140 178.707 176.600 -0.056 0.000 0.991 14 E CA 1.492 57.869 56.400 -0.039 0.000 0.799 14 E CB -0.147 29.536 29.700 -0.029 0.000 0.748 14 E HN 0.432 nan 8.360 nan 0.000 0.449 15 E N 0.815 120.988 120.200 -0.045 0.000 2.106 15 E HA -0.152 4.197 4.350 -0.002 0.000 0.192 15 E C 2.210 178.748 176.600 -0.103 0.000 0.984 15 E CA 0.781 57.145 56.400 -0.061 0.000 0.806 15 E CB -0.152 29.543 29.700 -0.009 0.000 0.750 15 E HN 0.289 nan 8.360 nan 0.000 0.458 16 I N 1.745 122.267 120.570 -0.079 0.000 2.179 16 I HA -0.266 3.903 4.170 -0.002 0.000 0.242 16 I C 1.820 177.838 176.117 -0.164 0.000 1.088 16 I CA 1.105 62.339 61.300 -0.110 0.000 1.357 16 I CB -0.252 37.705 38.000 -0.071 0.000 1.051 16 I HN 0.014 nan 8.210 nan 0.000 0.409 17 D N 0.147 120.467 120.400 -0.133 0.000 2.117 17 D HA -0.179 4.460 4.640 -0.002 0.000 0.197 17 D C 2.294 178.483 176.300 -0.184 0.000 0.987 17 D CA 1.535 55.448 54.000 -0.146 0.000 0.829 17 D CB -0.295 40.448 40.800 -0.095 0.000 0.961 17 D HN 0.174 nan 8.370 nan 0.000 0.460 18 S N -0.152 115.446 115.700 -0.170 0.000 2.348 18 S HA -0.139 4.330 4.470 -0.002 0.000 0.221 18 S C 2.174 176.612 174.600 -0.270 0.000 1.033 18 S CA 1.224 59.312 58.200 -0.188 0.000 1.010 18 S CB -0.439 62.663 63.200 -0.163 0.000 0.891 18 S HN 0.055 nan 8.310 nan 0.000 0.442 19 V N 2.263 121.974 119.914 -0.338 0.000 2.392 19 V HA -0.167 3.952 4.120 -0.002 0.000 0.249 19 V C 2.876 178.720 176.094 -0.416 0.000 1.059 19 V CA 1.854 63.882 62.300 -0.453 0.000 1.051 19 V CB -1.377 30.119 31.823 -0.544 0.000 0.658 19 V HN 0.643 nan 8.190 nan 0.000 0.455 20 A N -0.205 122.345 122.820 -0.449 0.000 1.902 20 A HA -0.165 4.154 4.320 -0.002 0.000 0.217 20 A C 2.167 179.213 177.584 -0.897 0.000 1.181 20 A CA 1.872 53.465 52.037 -0.740 0.000 0.623 20 A CB -0.492 18.100 19.000 -0.680 0.000 0.818 20 A HN 0.508 nan 8.150 nan 0.000 0.443 21 I N 0.408 120.691 120.570 -0.478 0.000 2.179 21 I HA -0.311 3.857 4.170 -0.002 0.000 0.242 21 I C 2.492 178.509 176.117 -0.167 0.000 1.088 21 I CA 1.970 63.124 61.300 -0.244 0.000 1.357 21 I CB -0.322 37.601 38.000 -0.127 0.000 1.051 21 I HN 0.472 nan 8.210 nan 0.000 0.409 22 K N 0.153 120.436 120.400 -0.195 0.000 2.211 22 K HA -0.058 4.260 4.320 -0.002 0.000 0.203 22 K C 1.818 178.373 176.600 -0.074 0.000 1.050 22 K CA 1.461 57.671 56.287 -0.128 0.000 0.945 22 K CB -0.603 31.800 32.500 -0.162 0.000 0.732 22 K HN 0.195 nan 8.250 nan 0.000 0.451 23 T N 1.454 115.927 114.554 -0.134 0.000 2.770 23 T HA 0.002 4.350 4.350 -0.002 0.000 0.263 23 T C 1.565 176.382 174.700 0.195 0.000 1.039 23 T CA 1.030 63.145 62.100 0.025 0.000 1.142 23 T CB -0.340 68.454 68.868 -0.123 0.000 0.868 23 T HN 0.222 nan 8.240 nan 0.000 0.435 24 F N 1.301 121.243 119.950 -0.013 0.000 2.161 24 F HA -0.130 4.396 4.527 -0.002 0.000 0.300 24 F C 2.679 178.488 175.800 0.015 0.000 1.089 24 F CA 0.799 58.785 58.000 -0.024 0.000 1.282 24 F CB -0.169 38.789 39.000 -0.070 0.000 1.010 24 F HN 0.231 nan 8.300 nan 0.000 0.485 25 E N 0.174 120.487 120.200 0.189 0.000 2.072 25 E HA -0.202 4.147 4.350 -0.002 0.000 0.190 25 E C 2.185 178.818 176.600 0.056 0.000 0.982 25 E CA 0.551 57.003 56.400 0.086 0.000 0.803 25 E CB -0.122 29.596 29.700 0.030 0.000 0.755 25 E HN 0.208 nan 8.360 nan 0.000 0.453 26 R N -0.316 120.221 120.500 0.062 0.000 2.127 26 R HA -0.164 4.174 4.340 -0.002 0.000 0.238 26 R C 0.926 177.133 176.300 -0.155 0.000 1.134 26 R CA 1.380 57.451 56.100 -0.049 0.000 0.975 26 R CB -0.017 30.258 30.300 -0.041 0.000 0.865 26 R HN 0.247 nan 8.270 nan 0.000 0.447 27 Y N -0.308 120.030 120.300 0.063 0.000 2.467 27 Y HA 0.398 4.946 4.550 -0.003 0.000 0.250 27 Y C 0.672 176.579 175.900 0.011 0.000 1.155 27 Y CA -0.133 58.001 58.100 0.057 0.000 1.249 27 Y CB 0.457 38.974 38.460 0.095 0.000 1.146 27 Y HN 0.098 nan 8.280 nan 0.000 0.524 28 A N 1.176 124.059 122.820 0.104 0.000 2.520 28 A HA 0.164 4.482 4.320 -0.002 0.000 0.235 28 A C 0.015 177.599 177.584 -0.002 0.000 1.065 28 A CA -0.265 51.789 52.037 0.028 0.000 0.764 28 A CB 0.102 19.108 19.000 0.010 0.000 1.002 28 A HN 0.266 nan 8.150 nan 0.000 0.502 29 L N 3.897 125.100 121.223 -0.033 0.000 2.315 29 L HA 0.343 4.682 4.340 -0.002 0.000 0.283 29 L C -2.138 174.725 176.870 -0.012 0.000 1.089 29 L CA -1.549 53.277 54.840 -0.023 0.000 0.833 29 L CB 0.329 42.367 42.059 -0.035 0.000 1.170 29 L HN 0.432 nan 8.230 nan 0.000 0.442 30 P HA 0.005 nan 4.420 nan 0.000 0.264 30 P C -0.004 177.311 177.300 0.025 0.000 1.179 30 P CA 0.273 63.379 63.100 0.009 0.000 0.763 30 P CB 0.492 32.199 31.700 0.011 0.000 0.806 37 R N 2.166 122.619 120.500 -0.079 0.000 2.343 37 R HA 0.445 4.784 4.340 -0.002 0.000 0.326 37 R C 0.879 177.009 176.300 -0.284 0.000 1.055 37 R CA 1.075 56.959 56.100 -0.359 0.000 0.961 37 R CB 0.532 30.377 30.300 -0.758 0.000 0.978 37 R HN 0.712 nan 8.270 nan 0.000 0.443 38 K N 3.589 123.832 120.400 -0.262 0.000 3.590 38 K HA 0.384 4.703 4.320 -0.002 0.000 0.170 38 K C 0.997 177.468 176.600 -0.215 0.000 1.138 38 K CA 0.459 56.639 56.287 -0.179 0.000 1.560 38 K CB -1.362 31.068 32.500 -0.117 0.000 2.149 38 K HN 0.937 nan 8.250 nan 0.000 0.487 39 G N -0.208 108.485 108.800 -0.179 0.000 2.915 39 G HA2 -0.120 3.839 3.960 -0.002 0.000 0.291 39 G HA3 -0.120 3.839 3.960 -0.002 0.000 0.291 39 G C -0.037 174.793 174.900 -0.117 0.000 1.445 39 G CA 0.678 45.683 45.100 -0.158 0.000 0.938 39 G HN 0.991 nan 8.290 nan 0.000 0.556 40 K N -0.711 119.641 120.400 -0.080 0.000 2.610 40 K HA 0.586 4.905 4.320 -0.002 0.000 0.278 40 K C 0.338 176.925 176.600 -0.021 0.000 0.964 40 K CA 0.512 56.769 56.287 -0.051 0.000 0.859 40 K CB 1.063 33.542 32.500 -0.035 0.000 1.434 40 K HN 2.848 nan 8.250 nan 0.000 0.410 41 G N 0.515 109.310 108.800 -0.008 0.000 2.782 41 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.228 41 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.228 41 G C -1.103 173.815 174.900 0.030 0.000 1.372 41 G CA -0.397 44.713 45.100 0.017 0.000 0.862 41 G HN 0.511 nan 8.290 nan 0.000 0.547 42 V N 0.142 120.090 119.914 0.056 0.000 2.644 42 V HA 0.782 4.900 4.120 -0.002 0.000 0.295 42 V C 0.880 177.023 176.094 0.081 0.000 1.053 42 V CA 0.561 62.904 62.300 0.073 0.000 0.987 42 V CB 1.614 33.502 31.823 0.108 0.000 1.006 42 V HN 1.335 nan 8.190 nan 0.000 0.472 43 T N 4.325 118.931 114.554 0.088 0.000 2.933 43 T HA 0.649 4.997 4.350 -0.002 0.000 0.305 43 T C -1.065 173.706 174.700 0.118 0.000 1.092 43 T CA -0.411 61.770 62.100 0.135 0.000 1.008 43 T CB 1.046 70.036 68.868 0.203 0.000 1.102 43 T HN 0.410 nan 8.240 nan 0.000 0.469 44 I N 4.424 125.075 120.570 0.135 0.000 2.359 44 I HA 0.442 4.611 4.170 -0.002 0.000 0.294 44 I C -0.355 175.874 176.117 0.186 0.000 0.987 44 I CA -0.923 60.444 61.300 0.112 0.000 1.225 44 I CB 1.655 39.693 38.000 0.064 0.000 1.366 44 I HN 0.379 nan 8.210 nan 0.000 0.466 45 L N 6.764 128.085 121.223 0.164 0.000 2.277 45 L HA 0.324 4.662 4.340 -0.002 0.000 0.284 45 L C -1.359 175.612 176.870 0.168 0.000 1.028 45 L CA -0.519 54.387 54.840 0.110 0.000 0.835 45 L CB 1.010 43.062 42.059 -0.013 0.000 1.215 45 L HN 0.682 nan 8.230 nan 0.000 0.425 46 W N 6.281 127.563 121.300 -0.029 0.000 2.308 46 W HA 0.289 4.948 4.660 -0.002 0.000 0.311 46 W C -0.290 176.231 176.519 0.004 0.000 1.088 46 W CA -0.967 56.399 57.345 0.036 0.000 1.309 46 W CB 0.484 29.960 29.460 0.027 0.000 1.229 46 W HN 0.464 nan 8.180 nan 0.000 0.427 47 F N 4.216 124.297 119.950 0.218 0.000 1.999 47 F HA -0.068 4.458 4.527 -0.002 0.000 0.293 47 F C 1.533 177.285 175.800 -0.080 0.000 1.173 47 F CA 2.783 60.851 58.000 0.112 0.000 1.162 47 F CB -0.669 38.511 39.000 0.300 0.000 0.981 47 F HN 0.394 nan 8.300 nan 0.000 0.479 48 R N 1.920 122.577 120.500 0.262 0.000 2.555 48 R HA -0.309 4.030 4.340 -0.002 0.000 0.307 48 R C -0.599 175.755 176.300 0.091 0.000 1.019 48 R CA 0.495 56.645 56.100 0.085 0.000 0.859 48 R CB -2.432 27.640 30.300 -0.380 0.000 2.370 48 R HN 0.706 nan 8.270 nan 0.000 0.504 49 N N 0.713 119.548 118.700 0.225 0.000 2.741 49 N HA -0.167 4.572 4.740 -0.002 0.000 0.250 49 N C -0.783 174.772 175.510 0.075 0.000 1.115 49 N CA 1.904 55.025 53.050 0.118 0.000 0.724 49 N CB -0.579 37.879 38.487 -0.049 0.000 1.090 49 N HN 0.910 nan 8.380 nan 0.000 0.558 50 D N -0.957 119.550 120.400 0.178 0.000 2.992 50 D HA 0.118 4.756 4.640 -0.002 0.000 0.372 50 D C 0.273 176.778 176.300 0.341 0.000 1.374 50 D CA -0.330 53.751 54.000 0.136 0.000 0.769 50 D CB -0.831 39.995 40.800 0.044 0.000 1.215 50 D HN 0.191 nan 8.370 nan 0.000 0.473 51 L N 1.293 122.668 121.223 0.253 0.000 2.388 51 L HA 0.250 4.589 4.340 -0.002 0.000 0.252 51 L C 0.746 177.644 176.870 0.046 0.000 1.357 51 L CA 0.117 55.014 54.840 0.094 0.000 1.214 51 L CB -0.736 41.318 42.059 -0.008 0.000 1.392 51 L HN 0.195 nan 8.230 nan 0.000 0.432 52 R N 0.577 121.155 120.500 0.130 0.000 2.712 52 R HA 0.314 4.652 4.340 -0.002 0.000 0.272 52 R C -0.856 175.499 176.300 0.091 0.000 1.032 52 R CA -0.537 55.597 56.100 0.056 0.000 0.874 52 R CB 1.464 31.782 30.300 0.030 0.000 1.256 52 R HN -0.040 nan 8.270 nan 0.000 0.468 53 V N 1.882 121.767 119.914 -0.048 0.000 2.922 53 V HA 0.113 4.232 4.120 -0.002 0.000 0.242 53 V C 2.240 178.248 176.094 -0.144 0.000 1.094 53 V CA 0.438 62.675 62.300 -0.106 0.000 1.106 53 V CB -0.382 31.262 31.823 -0.299 0.000 0.799 53 V HN 0.549 nan 8.190 nan 0.000 0.474 54 L N 0.462 121.569 121.223 -0.194 0.000 2.064 54 L HA -0.190 4.149 4.340 -0.002 0.000 0.244 54 L C 1.396 178.200 176.870 -0.109 0.000 1.012 54 L CA 1.644 56.369 54.840 -0.193 0.000 1.119 54 L CB -0.498 41.375 42.059 -0.309 0.000 1.029 54 L HN 0.324 nan 8.230 nan 0.000 0.481 55 D N 0.907 121.244 120.400 -0.105 0.000 2.669 55 D HA -0.063 4.575 4.640 -0.002 0.000 0.229 55 D C -0.262 176.060 176.300 0.036 0.000 1.092 55 D CA 0.515 54.506 54.000 -0.014 0.000 1.175 55 D CB -0.921 39.892 40.800 0.022 0.000 1.133 55 D HN 0.302 nan 8.370 nan 0.000 0.471 56 N N 1.616 120.348 118.700 0.052 0.000 2.626 56 N HA 0.089 4.827 4.740 -0.002 0.000 0.242 56 N C 0.281 175.873 175.510 0.138 0.000 1.005 56 N CA -0.679 52.452 53.050 0.134 0.000 0.905 56 N CB 0.775 39.337 38.487 0.124 0.000 1.128 56 N HN 0.015 nan 8.380 nan 0.000 0.512 57 D N 2.381 122.890 120.400 0.181 0.000 2.144 57 D HA -0.141 4.497 4.640 -0.002 0.000 0.199 57 D C 1.803 178.130 176.300 0.045 0.000 0.984 57 D CA 0.861 54.953 54.000 0.152 0.000 0.834 57 D CB 0.032 40.949 40.800 0.195 0.000 0.955 57 D HN 0.661 nan 8.370 nan 0.000 0.465 58 A N 1.365 124.095 122.820 -0.150 0.000 1.902 58 A HA -0.121 4.198 4.320 -0.002 0.000 0.217 58 A C 2.250 179.713 177.584 -0.203 0.000 1.181 58 A CA 0.734 52.631 52.037 -0.233 0.000 0.623 58 A CB -0.742 17.959 19.000 -0.497 0.000 0.818 58 A HN 0.234 nan 8.150 nan 0.000 0.443 59 L N -1.913 119.237 121.223 -0.121 0.000 2.017 59 L HA -0.177 4.162 4.340 -0.002 0.000 0.208 59 L C 2.508 179.351 176.870 -0.045 0.000 1.073 59 L CA 2.329 57.114 54.840 -0.090 0.000 0.745 59 L CB -0.573 41.480 42.059 -0.010 0.000 0.894 59 L HN 0.568 nan 8.230 nan 0.000 0.432 60 Y N 1.141 121.391 120.300 -0.083 0.000 2.097 60 Y HA -0.300 4.249 4.550 -0.002 0.000 0.282 60 Y C 2.687 178.591 175.900 0.008 0.000 1.152 60 Y CA 1.792 59.895 58.100 0.005 0.000 1.136 60 Y CB -0.172 38.296 38.460 0.014 0.000 0.975 60 Y HN 0.047 nan 8.280 nan 0.000 0.498 61 K N 0.208 120.517 120.400 -0.153 0.000 2.113 61 K HA -0.201 4.117 4.320 -0.002 0.000 0.208 61 K C 2.296 178.360 176.600 -0.893 0.000 1.047 61 K CA 1.222 57.267 56.287 -0.403 0.000 0.928 61 K CB -0.915 31.426 32.500 -0.265 0.000 0.716 61 K HN 0.460 nan 8.250 nan 0.000 0.446 62 A N 1.846 124.011 122.820 -1.091 0.000 1.858 62 A HA -0.180 4.139 4.320 -0.002 0.000 0.216 62 A C 2.046 179.416 177.584 -0.357 0.000 1.190 62 A CA 1.527 53.001 52.037 -0.938 0.000 0.617 62 A CB -1.067 17.637 19.000 -0.493 0.000 0.827 62 A HN 0.651 nan 8.150 nan 0.000 0.443 63 W N 0.985 122.046 121.300 -0.397 0.000 2.358 63 W HA -0.140 4.518 4.660 -0.002 0.000 0.303 63 W C 2.092 178.419 176.519 -0.319 0.000 1.208 63 W CA 1.897 59.070 57.345 -0.286 0.000 1.274 63 W CB -1.042 28.273 29.460 -0.242 0.000 1.138 63 W HN 0.382 nan 8.180 nan 0.000 0.515 64 S N 0.949 116.269 115.700 -0.632 0.000 2.419 64 S HA -0.184 4.284 4.470 -0.002 0.000 0.235 64 S C 1.791 176.111 174.600 -0.468 0.000 1.019 64 S CA 2.056 59.822 58.200 -0.724 0.000 0.982 64 S CB -0.625 62.236 63.200 -0.565 0.000 0.789 64 S HN 0.384 nan 8.310 nan 0.000 0.490 65 S N 0.295 115.796 115.700 -0.331 0.000 2.601 65 S HA 0.454 4.922 4.470 -0.002 0.000 0.244 65 S C 0.178 174.703 174.600 -0.124 0.000 1.001 65 S CA 0.016 58.119 58.200 -0.163 0.000 0.984 65 S CB 0.147 63.346 63.200 -0.002 0.000 0.842 65 S HN 0.527 nan 8.310 nan 0.000 0.474 66 S N -0.225 115.350 115.700 -0.208 0.000 2.720 66 S HA 0.624 5.093 4.470 -0.002 0.000 0.287 66 S C -0.700 173.796 174.600 -0.173 0.000 1.168 66 S CA -0.607 57.516 58.200 -0.128 0.000 0.832 66 S CB 1.069 64.236 63.200 -0.055 0.000 1.166 66 S HN -0.016 nan 8.310 nan 0.000 0.493 67 D N 0.666 121.012 120.400 -0.091 0.000 2.431 67 D HA 0.232 4.870 4.640 -0.002 0.000 0.235 67 D C 0.536 176.819 176.300 -0.028 0.000 0.980 67 D CA 1.257 55.211 54.000 -0.077 0.000 0.912 67 D CB 0.450 41.229 40.800 -0.035 0.000 1.056 67 D HN 0.652 nan 8.370 nan 0.000 0.494 68 T N -0.156 114.405 114.554 0.011 0.000 2.900 68 T HA 0.654 5.003 4.350 -0.002 0.000 0.295 68 T C -1.170 173.569 174.700 0.065 0.000 1.044 68 T CA -0.686 61.447 62.100 0.055 0.000 0.995 68 T CB 0.994 69.909 68.868 0.078 0.000 1.072 68 T HN -0.144 nan 8.240 nan 0.000 0.473 69 I N 3.888 124.514 120.570 0.093 0.000 2.530 69 I HA 0.535 4.703 4.170 -0.002 0.000 0.297 69 I C -1.051 175.135 176.117 0.115 0.000 1.011 69 I CA -1.197 60.161 61.300 0.097 0.000 1.107 69 I CB 2.115 40.182 38.000 0.112 0.000 1.285 69 I HN 0.427 nan 8.210 nan 0.000 0.436 70 L N 8.821 130.093 121.223 0.082 0.000 2.408 70 L HA 0.543 4.882 4.340 -0.002 0.000 0.257 70 L C -2.535 174.426 176.870 0.152 0.000 1.053 70 L CA -2.005 52.874 54.840 0.067 0.000 0.922 70 L CB 0.793 42.726 42.059 -0.209 0.000 1.261 70 L HN 0.230 nan 8.230 nan 0.000 0.458 71 P HA 0.237 nan 4.420 nan 0.000 0.276 71 P C -1.057 176.487 177.300 0.407 0.000 1.235 71 P CA 0.012 63.335 63.100 0.371 0.000 0.772 71 P CB 1.647 33.613 31.700 0.444 0.000 0.871 72 V N 4.386 124.569 119.914 0.448 0.000 2.876 72 V HA 0.407 4.526 4.120 -0.002 0.000 0.312 72 V C -1.013 175.412 176.094 0.551 0.000 1.085 72 V CA -0.714 61.827 62.300 0.401 0.000 0.945 72 V CB 2.254 34.215 31.823 0.229 0.000 1.017 72 V HN 0.479 nan 8.190 nan 0.000 0.428 73 Y N 2.574 123.071 120.300 0.329 0.000 2.373 73 Y HA 0.645 5.193 4.550 -0.002 0.000 0.336 73 Y C -0.497 175.558 175.900 0.258 0.000 0.979 73 Y CA -0.722 57.578 58.100 0.333 0.000 1.080 73 Y CB 1.633 40.222 38.460 0.215 0.000 1.190 73 Y HN 0.723 nan 8.280 nan 0.000 0.446 74 C N 7.366 126.423 119.300 -0.405 0.000 2.281 74 C HA 0.456 4.914 4.460 -0.002 0.000 0.325 74 C C 0.033 174.819 174.990 -0.339 0.000 1.282 74 C CA -1.110 57.773 59.018 -0.225 0.000 1.640 74 C CB -0.169 27.501 27.740 -0.116 0.000 2.288 74 C HN 0.780 nan 8.230 nan 0.000 0.507 75 L N 3.741 124.966 121.223 0.003 0.000 2.385 75 L HA 0.149 4.487 4.340 -0.002 0.000 0.285 75 L C 0.471 177.430 176.870 0.149 0.000 1.125 75 L CA 0.303 55.264 54.840 0.201 0.000 0.890 75 L CB -0.216 42.006 42.059 0.271 0.000 1.251 75 L HN 0.671 nan 8.230 nan 0.000 0.445 76 D N 5.584 126.060 120.400 0.127 0.000 2.371 76 D HA 0.068 4.707 4.640 -0.002 0.000 0.256 76 D C -1.511 174.856 176.300 0.111 0.000 1.193 76 D CA -1.725 52.325 54.000 0.082 0.000 0.881 76 D CB 1.774 42.603 40.800 0.048 0.000 1.143 76 D HN 0.202 nan 8.370 nan 0.000 0.473 77 P HA -0.113 nan 4.420 nan 0.000 0.216 77 P C 1.135 178.209 177.300 -0.377 0.000 1.150 77 P CA 1.120 64.209 63.100 -0.019 0.000 0.843 77 P CB 0.257 31.959 31.700 0.003 0.000 0.787 78 R N -0.824 119.463 120.500 -0.356 0.000 2.159 78 R HA -0.064 4.274 4.340 -0.002 0.000 0.237 78 R C 2.252 178.363 176.300 -0.315 0.000 1.131 78 R CA 0.837 56.673 56.100 -0.439 0.000 0.982 78 R CB -0.990 29.247 30.300 -0.103 0.000 0.868 78 R HN 0.248 nan 8.270 nan 0.000 0.453 79 L N -0.338 120.741 121.223 -0.240 0.000 2.265 79 L HA -0.113 4.225 4.340 -0.002 0.000 0.215 79 L C 0.593 177.075 176.870 -0.647 0.000 1.117 79 L CA 1.055 55.654 54.840 -0.402 0.000 0.782 79 L CB 0.103 41.871 42.059 -0.485 0.000 0.914 79 L HN 0.164 nan 8.230 nan 0.000 0.441 80 F N -2.552 117.337 119.950 -0.102 0.000 2.772 80 F HA 0.195 4.721 4.527 -0.003 0.000 0.302 80 F C 1.188 177.034 175.800 0.076 0.000 1.136 80 F CA -0.568 57.428 58.000 -0.007 0.000 1.322 80 F CB -0.154 38.858 39.000 0.020 0.000 0.967 80 F HN 0.005 nan 8.300 nan 0.000 0.513 81 H N -0.149 118.984 119.070 0.104 0.000 3.402 81 H HA 0.469 5.024 4.556 -0.002 0.000 0.121 81 H C 0.903 176.260 175.328 0.048 0.000 1.550 81 H CA 0.296 56.386 56.048 0.070 0.000 1.622 81 H CB -0.312 29.463 29.762 0.022 0.000 0.920 81 H HN 0.057 nan 8.280 nan 0.000 0.784 82 T N -2.488 112.166 114.554 0.166 0.000 2.926 82 T HA 0.334 4.682 4.350 -0.002 0.000 0.289 82 T C 0.388 175.097 174.700 0.015 0.000 1.054 82 T CA -0.860 61.289 62.100 0.081 0.000 1.015 82 T CB 1.837 70.730 68.868 0.040 0.000 1.167 82 T HN 0.348 nan 8.240 nan 0.000 0.526 83 T N -0.089 114.474 114.554 0.014 0.000 2.856 83 T HA 0.102 4.451 4.350 -0.002 0.000 0.306 83 T C 1.197 175.822 174.700 -0.125 0.000 1.062 83 T CA -0.139 61.948 62.100 -0.021 0.000 1.083 83 T CB 0.079 68.975 68.868 0.046 0.000 0.984 83 T HN 0.777 nan 8.240 nan 0.000 0.542 84 H N 2.385 121.300 119.070 -0.259 0.000 2.253 84 H HA -0.097 4.458 4.556 -0.002 0.000 0.296 84 H C 1.739 176.689 175.328 -0.629 0.000 1.067 84 H CA 2.508 58.260 56.048 -0.492 0.000 1.245 84 H CB -0.316 29.028 29.762 -0.697 0.000 1.364 84 H HN 0.729 nan 8.280 nan 0.000 0.494 85 F N -0.943 118.876 119.950 -0.218 0.000 2.262 85 F HA 0.014 4.539 4.527 -0.002 0.000 0.292 85 F C 2.056 177.247 175.800 -1.015 0.000 1.081 85 F CA 0.392 58.002 58.000 -0.650 0.000 1.355 85 F CB -0.205 38.242 39.000 -0.921 0.000 1.069 85 F HN 0.037 nan 8.300 nan 0.000 0.506 86 F N -0.359 119.410 119.950 -0.303 0.000 2.664 86 F HA 0.247 4.773 4.527 -0.002 0.000 0.303 86 F C 0.156 175.578 175.800 -0.630 0.000 1.092 86 F CA -0.470 57.187 58.000 -0.572 0.000 1.305 86 F CB -0.591 37.844 39.000 -0.941 0.000 1.054 86 F HN -0.118 nan 8.300 nan 0.000 0.565 87 N N 1.202 119.698 118.700 -0.340 0.000 2.714 87 N HA -0.236 4.503 4.740 -0.002 0.000 0.253 87 N C -0.569 174.971 175.510 0.049 0.000 1.024 87 N CA 0.759 53.721 53.050 -0.147 0.000 0.726 87 N CB -1.851 36.585 38.487 -0.085 0.000 0.908 87 N HN 0.334 nan 8.380 nan 0.000 0.542 88 F N 0.675 120.735 119.950 0.184 0.000 2.380 88 F HA 0.427 4.952 4.527 -0.002 0.000 0.321 88 F C -1.367 174.529 175.800 0.161 0.000 1.103 88 F CA -2.365 55.781 58.000 0.244 0.000 1.067 88 F CB 0.659 39.884 39.000 0.374 0.000 1.265 88 F HN -0.127 nan 8.300 nan 0.000 0.517 89 P HA -0.029 nan 4.420 nan 0.000 0.265 89 P C -0.114 177.267 177.300 0.135 0.000 1.193 89 P CA -0.059 63.170 63.100 0.214 0.000 0.765 89 P CB 1.141 32.956 31.700 0.191 0.000 0.823 90 K N 2.591 123.038 120.400 0.079 0.000 2.063 90 K HA -0.075 4.243 4.320 -0.002 0.000 0.208 90 K C 0.235 176.781 176.600 -0.090 0.000 1.048 90 K CA 1.775 58.052 56.287 -0.016 0.000 0.928 90 K CB -0.474 32.000 32.500 -0.044 0.000 0.713 90 K HN 0.453 nan 8.250 nan 0.000 0.442 91 T N 0.496 115.004 114.554 -0.077 0.000 2.890 91 T HA 0.501 4.850 4.350 -0.002 0.000 0.295 91 T C -0.274 174.448 174.700 0.037 0.000 0.993 91 T CA -0.544 61.506 62.100 -0.083 0.000 0.979 91 T CB 1.523 70.237 68.868 -0.256 0.000 0.967 91 T HN 0.306 nan 8.240 nan 0.000 0.441 92 G N 1.175 109.970 108.800 -0.008 0.000 2.594 92 G HA2 0.447 4.405 3.960 -0.002 0.000 0.243 92 G HA3 0.447 4.405 3.960 -0.002 0.000 0.243 92 G C 1.224 176.168 174.900 0.072 0.000 1.229 92 G CA -0.146 44.956 45.100 0.003 0.000 0.843 92 G HN 0.852 nan 8.290 nan 0.000 0.578 93 A N 0.913 123.780 122.820 0.078 0.000 1.940 93 A HA -0.078 4.240 4.320 -0.002 0.000 0.219 93 A C 2.402 180.039 177.584 0.089 0.000 1.176 93 A CA 1.394 53.491 52.037 0.099 0.000 0.631 93 A CB -0.372 18.675 19.000 0.079 0.000 0.814 93 A HN 0.572 nan 8.150 nan 0.000 0.446 94 L N -1.500 119.755 121.223 0.052 0.000 2.027 94 L HA -0.141 4.198 4.340 -0.002 0.000 0.206 94 L C 2.847 179.766 176.870 0.082 0.000 1.074 94 L CA 1.612 56.484 54.840 0.054 0.000 0.745 94 L CB -0.491 41.574 42.059 0.011 0.000 0.898 94 L HN 0.411 nan 8.230 nan 0.000 0.433 95 R N 0.261 120.806 120.500 0.074 0.000 2.092 95 R HA -0.112 4.226 4.340 -0.002 0.000 0.231 95 R C 2.233 178.671 176.300 0.230 0.000 1.119 95 R CA 1.269 57.460 56.100 0.152 0.000 0.970 95 R CB -0.371 30.024 30.300 0.158 0.000 0.864 95 R HN 0.404 nan 8.270 nan 0.000 0.440 96 G N -0.420 108.512 108.800 0.220 0.000 2.440 96 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.218 96 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.218 96 G C 1.429 176.433 174.900 0.173 0.000 1.154 96 G CA 0.862 46.134 45.100 0.287 0.000 0.767 96 G HN 0.500 nan 8.290 nan 0.000 0.552 97 G N 0.155 109.033 108.800 0.130 0.000 2.408 97 G HA2 -0.163 3.795 3.960 -0.002 0.000 0.217 97 G HA3 -0.163 3.795 3.960 -0.002 0.000 0.217 97 G C 1.609 176.533 174.900 0.040 0.000 1.150 97 G CA 0.796 45.942 45.100 0.076 0.000 0.776 97 G HN 0.344 nan 8.290 nan 0.000 0.542 98 F N 0.818 120.705 119.950 -0.104 0.000 2.134 98 F HA -0.010 4.516 4.527 -0.003 0.000 0.299 98 F C 2.296 177.858 175.800 -0.396 0.000 1.097 98 F CA 1.243 59.105 58.000 -0.230 0.000 1.264 98 F CB -0.186 38.652 39.000 -0.271 0.000 1.001 98 F HN 0.125 nan 8.300 nan 0.000 0.479 99 L N 0.044 121.105 121.223 -0.271 0.000 2.017 99 L HA -0.235 4.103 4.340 -0.002 0.000 0.208 99 L C 2.164 178.857 176.870 -0.294 0.000 1.073 99 L CA 1.822 56.421 54.840 -0.403 0.000 0.745 99 L CB -0.831 41.222 42.059 -0.010 0.000 0.894 99 L HN 0.084 nan 8.230 nan 0.000 0.432 100 M N -0.439 119.073 119.600 -0.146 0.000 2.106 100 M HA -0.234 4.245 4.480 -0.002 0.000 0.259 100 M C 2.224 178.405 176.300 -0.198 0.000 1.068 100 M CA 1.620 56.843 55.300 -0.129 0.000 1.100 100 M CB -1.461 31.103 32.600 -0.060 0.000 1.351 100 M HN 0.373 nan 8.290 nan 0.000 0.404 101 E N -0.711 119.343 120.200 -0.245 0.000 2.110 101 E HA -0.170 4.179 4.350 -0.002 0.000 0.193 101 E C 2.193 178.591 176.600 -0.337 0.000 0.988 101 E CA 1.382 57.622 56.400 -0.268 0.000 0.804 101 E CB -0.147 29.378 29.700 -0.292 0.000 0.745 101 E HN 0.484 nan 8.360 nan 0.000 0.458 102 C N 0.493 119.504 119.300 -0.482 0.000 2.425 102 C HA -0.097 4.362 4.460 -0.002 0.000 0.277 102 C C 2.519 177.308 174.990 -0.335 0.000 1.280 102 C CA 0.463 59.216 59.018 -0.442 0.000 1.744 102 C CB -0.831 26.574 27.740 -0.557 0.000 1.989 102 C HN 0.399 nan 8.230 nan 0.000 0.491 103 L N 0.022 121.039 121.223 -0.344 0.000 2.093 103 L HA -0.092 4.247 4.340 -0.002 0.000 0.208 103 L C 2.582 179.313 176.870 -0.232 0.000 1.085 103 L CA 0.988 55.630 54.840 -0.330 0.000 0.755 103 L CB -0.757 41.097 42.059 -0.342 0.000 0.904 103 L HN 0.175 nan 8.230 nan 0.000 0.435 104 V N 0.243 120.044 119.914 -0.189 0.000 2.287 104 V HA -0.339 3.780 4.120 -0.002 0.000 0.248 104 V C 2.196 178.208 176.094 -0.138 0.000 1.053 104 V CA 2.311 64.528 62.300 -0.139 0.000 1.027 104 V CB -0.459 31.294 31.823 -0.115 0.000 0.646 104 V HN 0.484 nan 8.190 nan 0.000 0.447 105 D N -0.510 119.799 120.400 -0.151 0.000 2.144 105 D HA -0.162 4.476 4.640 -0.002 0.000 0.200 105 D C 1.935 178.157 176.300 -0.129 0.000 0.978 105 D CA 1.030 54.957 54.000 -0.121 0.000 0.833 105 D CB -0.097 40.636 40.800 -0.111 0.000 0.961 105 D HN 0.280 nan 8.370 nan 0.000 0.470 106 L N 0.753 121.863 121.223 -0.188 0.000 2.046 106 L HA -0.046 4.293 4.340 -0.002 0.000 0.208 106 L C 2.306 179.043 176.870 -0.222 0.000 1.077 106 L CA 1.694 56.391 54.840 -0.238 0.000 0.747 106 L CB -0.670 41.158 42.059 -0.384 0.000 0.896 106 L HN -0.049 nan 8.230 nan 0.000 0.432 107 R N -0.154 120.224 120.500 -0.203 0.000 2.083 107 R HA -0.246 4.093 4.340 -0.002 0.000 0.237 107 R C 2.481 178.690 176.300 -0.152 0.000 1.137 107 R CA 2.065 58.062 56.100 -0.173 0.000 0.951 107 R CB -0.371 29.845 30.300 -0.141 0.000 0.851 107 R HN 0.451 nan 8.270 nan 0.000 0.434 108 K N 0.069 120.395 120.400 -0.123 0.000 2.032 108 K HA -0.176 4.143 4.320 -0.002 0.000 0.209 108 K C 1.568 178.120 176.600 -0.081 0.000 1.048 108 K CA 1.947 58.178 56.287 -0.093 0.000 0.927 108 K CB -0.130 32.328 32.500 -0.069 0.000 0.712 108 K HN 0.240 nan 8.250 nan 0.000 0.441 109 N N 0.834 119.488 118.700 -0.077 0.000 2.331 109 N HA -0.091 4.648 4.740 -0.002 0.000 0.180 109 N C 1.856 177.278 175.510 -0.146 0.000 1.019 109 N CA 0.808 53.812 53.050 -0.077 0.000 0.881 109 N CB -0.065 38.387 38.487 -0.058 0.000 0.972 109 N HN 0.249 nan 8.380 nan 0.000 0.435 110 L N 0.321 121.457 121.223 -0.145 0.000 2.109 110 L HA 0.026 4.365 4.340 -0.002 0.000 0.207 110 L C 2.227 179.013 176.870 -0.140 0.000 1.086 110 L CA 0.725 55.484 54.840 -0.134 0.000 0.760 110 L CB -0.230 41.758 42.059 -0.119 0.000 0.910 110 L HN 0.107 nan 8.230 nan 0.000 0.437 111 M N -0.653 118.854 119.600 -0.155 0.000 2.229 111 M HA -0.198 4.281 4.480 -0.002 0.000 0.264 111 M C 2.080 178.313 176.300 -0.112 0.000 1.063 111 M CA 1.564 56.769 55.300 -0.157 0.000 1.114 111 M CB -0.259 32.241 32.600 -0.167 0.000 1.387 111 M HN 0.096 nan 8.290 nan 0.000 0.420 112 K N 0.144 120.486 120.400 -0.096 0.000 2.209 112 K HA -0.076 4.243 4.320 -0.002 0.000 0.204 112 K C 1.287 177.836 176.600 -0.084 0.000 1.048 112 K CA 0.839 57.083 56.287 -0.072 0.000 0.940 112 K CB 0.006 32.479 32.500 -0.045 0.000 0.729 112 K HN 0.363 nan 8.250 nan 0.000 0.451 113 R N -0.228 120.206 120.500 -0.110 0.000 2.515 113 R HA 0.106 4.445 4.340 -0.002 0.000 0.294 113 R C 0.554 176.810 176.300 -0.073 0.000 1.021 113 R CA 0.487 56.520 56.100 -0.111 0.000 1.081 113 R CB 0.851 31.055 30.300 -0.160 0.000 1.263 113 R HN 0.329 nan 8.270 nan 0.000 0.557 114 G N 1.049 109.810 108.800 -0.065 0.000 2.159 114 G HA2 -0.267 3.692 3.960 -0.002 0.000 0.256 114 G HA3 -0.267 3.692 3.960 -0.002 0.000 0.256 114 G C 0.169 175.042 174.900 -0.044 0.000 0.977 114 G CA 0.122 45.199 45.100 -0.040 0.000 0.652 114 G HN 0.219 nan 8.290 nan 0.000 0.531 115 L N -1.445 119.730 121.223 -0.081 0.000 2.664 115 L HA 0.768 5.107 4.340 -0.002 0.000 0.253 115 L C 0.678 177.392 176.870 -0.260 0.000 1.293 115 L CA -1.134 53.648 54.840 -0.096 0.000 1.280 115 L CB 1.249 43.291 42.059 -0.028 0.000 1.993 115 L HN 0.199 nan 8.230 nan 0.000 0.577 116 N N -0.817 117.674 118.700 -0.349 0.000 3.449 116 N HA 0.449 5.188 4.740 -0.002 0.000 0.312 116 N C -2.200 173.116 175.510 -0.323 0.000 1.557 116 N CA -0.373 52.304 53.050 -0.623 0.000 0.864 116 N CB 1.800 39.303 38.487 -1.640 0.000 1.799 116 N HN 0.293 nan 8.380 nan 0.000 0.554 117 L N 1.980 123.065 121.223 -0.230 0.000 2.491 117 L HA 0.531 4.869 4.340 -0.002 0.000 0.267 117 L C -1.617 175.482 176.870 0.382 0.000 0.971 117 L CA -0.634 54.275 54.840 0.116 0.000 0.857 117 L CB 1.204 43.255 42.059 -0.012 0.000 1.226 117 L HN 0.500 nan 8.230 nan 0.000 0.408 118 L N 6.361 127.913 121.223 0.548 0.000 2.315 118 L HA 0.502 4.840 4.340 -0.002 0.000 0.283 118 L C -0.841 176.205 176.870 0.294 0.000 1.089 118 L CA 0.313 55.417 54.840 0.441 0.000 0.833 118 L CB 0.284 42.476 42.059 0.221 0.000 1.170 118 L HN 0.416 nan 8.230 nan 0.000 0.442 119 I N 6.225 126.947 120.570 0.252 0.000 2.321 119 I HA 0.495 4.663 4.170 -0.002 0.000 0.291 119 I C 0.118 176.335 176.117 0.167 0.000 0.998 119 I CA -0.340 61.098 61.300 0.230 0.000 1.227 119 I CB 0.874 38.991 38.000 0.194 0.000 1.368 119 I HN 0.582 nan 8.210 nan 0.000 0.466 120 R N 3.560 124.151 120.500 0.152 0.000 2.686 120 R HA 0.491 4.830 4.340 -0.002 0.000 0.283 120 R C -0.912 175.438 176.300 0.083 0.000 0.978 120 R CA -0.773 55.382 56.100 0.091 0.000 0.897 120 R CB 2.356 32.688 30.300 0.054 0.000 1.192 120 R HN 0.468 nan 8.270 nan 0.000 0.457 121 S N 0.524 116.262 115.700 0.064 0.000 2.429 121 S HA 0.821 5.290 4.470 -0.002 0.000 0.302 121 S C 0.052 174.674 174.600 0.036 0.000 1.115 121 S CA -0.247 57.989 58.200 0.060 0.000 1.095 121 S CB 1.593 64.823 63.200 0.050 0.000 0.987 121 S HN 0.865 nan 8.310 nan 0.000 0.474 122 G N 2.663 111.482 108.800 0.032 0.000 2.359 122 G HA2 0.158 4.116 3.960 -0.002 0.000 0.293 122 G HA3 0.158 4.116 3.960 -0.002 0.000 0.293 122 G C -1.988 172.909 174.900 -0.004 0.000 1.300 122 G CA -1.111 43.997 45.100 0.014 0.000 0.888 122 G HN 0.517 nan 8.290 nan 0.000 0.541 123 K N 1.094 121.485 120.400 -0.015 0.000 2.276 123 K HA 0.329 4.647 4.320 -0.002 0.000 0.283 123 K C -1.721 174.825 176.600 -0.090 0.000 1.044 123 K CA -1.462 54.806 56.287 -0.031 0.000 0.944 123 K CB 1.993 34.482 32.500 -0.019 0.000 1.012 123 K HN 0.065 nan 8.250 nan 0.000 0.472 124 P HA -0.271 nan 4.420 nan 0.000 0.216 124 P C 0.926 178.028 177.300 -0.330 0.000 1.150 124 P CA 1.281 64.182 63.100 -0.331 0.000 0.843 124 P CB 0.167 31.611 31.700 -0.426 0.000 0.787 125 E N 0.204 120.280 120.200 -0.206 0.000 2.333 125 E HA -0.195 4.153 4.350 -0.002 0.000 0.198 125 E C 1.274 177.801 176.600 -0.122 0.000 1.007 125 E CA 1.256 57.561 56.400 -0.159 0.000 0.845 125 E CB -0.631 29.017 29.700 -0.086 0.000 0.766 125 E HN 0.424 nan 8.360 nan 0.000 0.507 126 E N 0.342 120.477 120.200 -0.109 0.000 2.244 126 E HA 0.144 4.493 4.350 -0.002 0.000 0.196 126 E C 2.332 178.882 176.600 -0.083 0.000 0.939 126 E CA 0.114 56.468 56.400 -0.076 0.000 0.884 126 E CB 0.139 29.810 29.700 -0.049 0.000 0.850 126 E HN 0.221 nan 8.360 nan 0.000 0.481 127 I N 1.492 121.997 120.570 -0.107 0.000 2.162 127 I HA -0.234 3.935 4.170 -0.002 0.000 0.238 127 I C 2.441 178.489 176.117 -0.115 0.000 1.076 127 I CA 0.987 62.228 61.300 -0.097 0.000 1.353 127 I CB -0.266 37.673 38.000 -0.101 0.000 1.063 127 I HN 0.046 nan 8.210 nan 0.000 0.408 128 L N 0.606 121.707 121.223 -0.203 0.000 2.013 128 L HA -0.174 4.164 4.340 -0.002 0.000 0.212 128 L C -0.247 176.553 176.870 -0.118 0.000 1.073 128 L CA 1.816 56.533 54.840 -0.205 0.000 0.753 128 L CB -2.106 39.726 42.059 -0.379 0.000 0.890 128 L HN 0.185 nan 8.230 nan 0.000 0.432 129 P HA -0.156 nan 4.420 nan 0.000 0.217 129 P C 1.930 179.210 177.300 -0.033 0.000 1.150 129 P CA 1.466 64.526 63.100 -0.067 0.000 0.832 129 P CB 0.093 31.752 31.700 -0.068 0.000 0.787 130 S N -0.978 114.703 115.700 -0.031 0.000 2.345 130 S HA -0.109 4.360 4.470 -0.002 0.000 0.220 130 S C 1.828 176.451 174.600 0.037 0.000 1.031 130 S CA 1.058 59.254 58.200 -0.007 0.000 0.996 130 S CB -1.059 62.135 63.200 -0.012 0.000 0.882 130 S HN -0.037 nan 8.310 nan 0.000 0.445 131 L N 1.181 122.439 121.223 0.057 0.000 2.046 131 L HA -0.096 4.243 4.340 -0.002 0.000 0.208 131 L C 2.981 179.976 176.870 0.208 0.000 1.077 131 L CA 1.260 56.202 54.840 0.169 0.000 0.747 131 L CB -0.811 41.290 42.059 0.069 0.000 0.896 131 L HN 0.434 nan 8.230 nan 0.000 0.432 132 A N 0.067 122.938 122.820 0.085 0.000 1.908 132 A HA -0.273 4.045 4.320 -0.002 0.000 0.218 132 A C 2.416 180.050 177.584 0.085 0.000 1.181 132 A CA 2.122 54.205 52.037 0.076 0.000 0.627 132 A CB -0.439 18.572 19.000 0.018 0.000 0.818 132 A HN 0.340 nan 8.150 nan 0.000 0.445 133 K N -0.684 119.746 120.400 0.050 0.000 2.062 133 K HA -0.156 4.162 4.320 -0.002 0.000 0.205 133 K C 1.326 177.928 176.600 0.004 0.000 1.051 133 K CA 1.464 57.762 56.287 0.019 0.000 0.941 133 K CB -0.171 32.327 32.500 -0.004 0.000 0.719 133 K HN 0.373 nan 8.250 nan 0.000 0.440 134 D N -0.048 120.354 120.400 0.002 0.000 2.144 134 D HA -0.152 4.487 4.640 -0.002 0.000 0.199 134 D C 1.145 177.262 176.300 -0.305 0.000 0.984 134 D CA 1.221 55.126 54.000 -0.159 0.000 0.834 134 D CB -0.036 40.637 40.800 -0.211 0.000 0.955 134 D HN 0.242 nan 8.370 nan 0.000 0.465 135 F N -0.442 119.491 119.950 -0.028 0.000 2.664 135 F HA 0.321 4.847 4.527 -0.002 0.000 0.303 135 F C 1.540 177.336 175.800 -0.008 0.000 1.092 135 F CA -0.110 57.878 58.000 -0.019 0.000 1.305 135 F CB 0.293 39.283 39.000 -0.016 0.000 1.054 135 F HN -0.098 nan 8.300 nan 0.000 0.565 136 G N 1.552 110.420 108.800 0.114 0.000 2.338 136 G HA2 -0.133 3.825 3.960 -0.002 0.000 0.296 136 G HA3 -0.133 3.825 3.960 -0.002 0.000 0.296 136 G C 0.337 175.290 174.900 0.088 0.000 1.040 136 G CA 0.028 45.171 45.100 0.071 0.000 1.004 136 G HN 0.664 nan 8.290 nan 0.000 0.509 137 A N -0.430 122.453 122.820 0.105 0.000 2.450 137 A HA 0.620 4.939 4.320 -0.002 0.000 0.255 137 A C 1.406 179.022 177.584 0.053 0.000 1.096 137 A CA 0.541 52.630 52.037 0.085 0.000 0.778 137 A CB 0.297 19.346 19.000 0.081 0.000 1.031 137 A HN 0.579 nan 8.150 nan 0.000 0.494 138 R N 0.300 120.832 120.500 0.053 0.000 2.119 138 R HA 0.034 4.372 4.340 -0.002 0.000 0.222 138 R C 0.351 176.661 176.300 0.016 0.000 1.088 138 R CA 1.553 57.674 56.100 0.035 0.000 0.984 138 R CB -0.018 30.307 30.300 0.042 0.000 0.884 138 R HN 0.916 nan 8.270 nan 0.000 0.447 139 T N -3.801 110.772 114.554 0.032 0.000 2.816 139 T HA 0.488 4.837 4.350 -0.002 0.000 0.299 139 T C -0.870 173.829 174.700 -0.003 0.000 1.230 139 T CA -0.861 61.215 62.100 -0.041 0.000 1.007 139 T CB 2.351 71.139 68.868 -0.133 0.000 1.289 139 T HN -0.233 nan 8.240 nan 0.000 0.508 140 V N 1.871 121.729 119.914 -0.092 0.000 2.409 140 V HA 0.534 4.653 4.120 -0.002 0.000 0.290 140 V C -1.191 174.875 176.094 -0.047 0.000 1.017 140 V CA -0.725 61.587 62.300 0.021 0.000 0.841 140 V CB 0.723 32.563 31.823 0.029 0.000 1.003 140 V HN 0.850 nan 8.190 nan 0.000 0.426 141 F N 3.019 123.008 119.950 0.065 0.000 2.377 141 F HA 0.875 5.400 4.527 -0.002 0.000 0.328 141 F C 0.604 176.406 175.800 0.002 0.000 1.094 141 F CA 0.106 58.114 58.000 0.015 0.000 1.093 141 F CB 1.891 40.865 39.000 -0.043 0.000 1.214 141 F HN 0.631 nan 8.300 nan 0.000 0.518 142 A N 1.117 123.989 122.820 0.087 0.000 2.549 142 A HA 0.493 4.811 4.320 -0.002 0.000 0.291 142 A C -1.838 175.626 177.584 -0.200 0.000 1.034 142 A CA -0.866 51.098 52.037 -0.122 0.000 0.655 142 A CB 0.388 19.282 19.000 -0.176 0.000 1.299 142 A HN 0.777 nan 8.150 nan 0.000 0.427 143 H N 0.483 119.432 119.070 -0.203 0.000 2.511 143 H HA 0.512 5.066 4.556 -0.002 0.000 0.346 143 H C 0.215 175.422 175.328 -0.201 0.000 1.128 143 H CA 0.349 56.291 56.048 -0.177 0.000 1.342 143 H CB 1.058 30.689 29.762 -0.218 0.000 1.470 143 H HN 0.639 nan 8.280 nan 0.000 0.546 144 K N 2.358 122.743 120.400 -0.026 0.000 2.322 144 K HA 0.075 4.393 4.320 -0.002 0.000 0.283 144 K C -0.433 176.097 176.600 -0.118 0.000 1.042 144 K CA -0.197 56.078 56.287 -0.021 0.000 0.958 144 K CB 0.557 33.139 32.500 0.136 0.000 0.984 144 K HN 0.501 nan 8.250 nan 0.000 0.473 145 E N 1.252 121.420 120.200 -0.054 0.000 2.259 145 E HA 0.225 4.573 4.350 -0.002 0.000 0.257 145 E C 0.271 176.891 176.600 0.034 0.000 0.998 145 E CA -0.166 56.197 56.400 -0.063 0.000 0.866 145 E CB 1.687 31.353 29.700 -0.058 0.000 1.220 145 E HN 0.838 nan 8.360 nan 0.000 0.415 146 T N -3.854 110.724 114.554 0.041 0.000 2.987 146 T HA 0.162 4.510 4.350 -0.002 0.000 0.248 146 T C 1.032 175.798 174.700 0.109 0.000 0.997 146 T CA -0.140 62.025 62.100 0.108 0.000 1.013 146 T CB -0.248 68.697 68.868 0.128 0.000 1.077 146 T HN 0.331 nan 8.240 nan 0.000 0.483 147 C N 3.680 123.039 119.300 0.099 0.000 2.534 147 C HA 0.575 5.033 4.460 -0.002 0.000 0.385 147 C C 2.591 177.650 174.990 0.114 0.000 1.264 147 C CA 0.142 59.250 59.018 0.150 0.000 2.342 147 C CB 0.934 28.805 27.740 0.219 0.000 2.564 147 C HN 0.739 nan 8.230 nan 0.000 0.603 148 S N 1.412 117.189 115.700 0.128 0.000 2.372 148 S HA -0.257 4.211 4.470 -0.002 0.000 0.227 148 S C 1.331 175.951 174.600 0.033 0.000 1.044 148 S CA 2.155 60.399 58.200 0.074 0.000 1.050 148 S CB -0.581 62.658 63.200 0.065 0.000 0.901 148 S HN 0.868 nan 8.310 nan 0.000 0.447 149 E N 1.119 121.313 120.200 -0.009 0.000 2.085 149 E HA -0.164 4.185 4.350 -0.002 0.000 0.194 149 E C 2.264 178.881 176.600 0.028 0.000 0.994 149 E CA 1.572 57.965 56.400 -0.012 0.000 0.801 149 E CB -0.189 29.480 29.700 -0.051 0.000 0.743 149 E HN 0.613 nan 8.360 nan 0.000 0.453 150 E N 0.110 120.332 120.200 0.036 0.000 2.107 150 E HA -0.105 4.243 4.350 -0.002 0.000 0.191 150 E C 2.093 178.738 176.600 0.076 0.000 0.982 150 E CA 0.557 56.988 56.400 0.051 0.000 0.809 150 E CB -0.106 29.605 29.700 0.019 0.000 0.756 150 E HN 0.044 nan 8.360 nan 0.000 0.459 151 V N 1.160 121.118 119.914 0.073 0.000 2.515 151 V HA -0.221 3.898 4.120 -0.002 0.000 0.250 151 V C 1.855 178.001 176.094 0.086 0.000 1.058 151 V CA 1.909 64.261 62.300 0.087 0.000 1.064 151 V CB -0.452 31.425 31.823 0.090 0.000 0.675 151 V HN 0.227 nan 8.190 nan 0.000 0.461 152 D N 0.110 120.553 120.400 0.071 0.000 2.144 152 D HA -0.138 4.501 4.640 -0.002 0.000 0.200 152 D C 2.021 178.364 176.300 0.073 0.000 0.978 152 D CA 1.158 55.194 54.000 0.061 0.000 0.833 152 D CB -0.003 40.821 40.800 0.041 0.000 0.961 152 D HN 0.214 nan 8.370 nan 0.000 0.470 153 V N 0.543 120.515 119.914 0.097 0.000 2.407 153 V HA -0.208 3.911 4.120 -0.002 0.000 0.248 153 V C 2.219 178.416 176.094 0.171 0.000 1.055 153 V CA 1.789 64.167 62.300 0.130 0.000 1.049 153 V CB -0.510 31.429 31.823 0.194 0.000 0.662 153 V HN 0.265 nan 8.190 nan 0.000 0.455 154 E N -0.074 120.247 120.200 0.202 0.000 2.077 154 E HA -0.263 4.085 4.350 -0.002 0.000 0.193 154 E C 2.431 179.105 176.600 0.124 0.000 0.989 154 E CA 1.415 57.947 56.400 0.220 0.000 0.800 154 E CB -0.235 29.571 29.700 0.176 0.000 0.746 154 E HN 0.483 nan 8.360 nan 0.000 0.452 155 R N 1.037 121.590 120.500 0.090 0.000 2.080 155 R HA -0.163 4.175 4.340 -0.002 0.000 0.236 155 R C 2.353 178.674 176.300 0.035 0.000 1.137 155 R CA 1.249 57.383 56.100 0.057 0.000 0.943 155 R CB -0.297 30.033 30.300 0.050 0.000 0.846 155 R HN 0.147 nan 8.270 nan 0.000 0.431 156 L N 0.339 121.579 121.223 0.029 0.000 2.042 156 L HA -0.171 4.168 4.340 -0.002 0.000 0.210 156 L C 2.524 179.378 176.870 -0.027 0.000 1.076 156 L CA 0.998 55.839 54.840 0.002 0.000 0.749 156 L CB -0.392 41.667 42.059 0.000 0.000 0.893 156 L HN 0.100 nan 8.230 nan 0.000 0.432 157 V N -0.000 119.891 119.914 -0.038 0.000 2.358 157 V HA -0.303 3.816 4.120 -0.002 0.000 0.246 157 V C 2.270 178.328 176.094 -0.060 0.000 1.047 157 V CA 2.103 64.338 62.300 -0.108 0.000 1.035 157 V CB -0.712 30.986 31.823 -0.209 0.000 0.658 157 V HN 0.563 nan 8.190 nan 0.000 0.452 158 N N -0.203 118.492 118.700 -0.008 0.000 2.084 158 N HA -0.233 4.506 4.740 -0.002 0.000 0.190 158 N C 1.921 177.424 175.510 -0.011 0.000 1.030 158 N CA 1.540 54.590 53.050 -0.001 0.000 0.849 158 N CB 0.015 38.516 38.487 0.024 0.000 1.012 158 N HN 0.599 nan 8.380 nan 0.000 0.423 159 Q N -0.418 119.378 119.800 -0.008 0.000 2.230 159 Q HA -0.027 4.312 4.340 -0.002 0.000 0.202 159 Q C 2.098 178.086 176.000 -0.021 0.000 0.963 159 Q CA 1.064 56.861 55.803 -0.010 0.000 0.866 159 Q CB -0.070 28.665 28.738 -0.004 0.000 0.931 159 Q HN 0.420 nan 8.270 nan 0.000 0.452 160 G N 0.881 109.661 108.800 -0.034 0.000 2.402 160 G HA2 -0.209 3.749 3.960 -0.002 0.000 0.216 160 G HA3 -0.209 3.749 3.960 -0.002 0.000 0.216 160 G C 1.316 176.190 174.900 -0.043 0.000 1.162 160 G CA 0.364 45.438 45.100 -0.044 0.000 0.777 160 G HN 0.121 nan 8.290 nan 0.000 0.539 161 L N 0.673 121.868 121.223 -0.046 0.000 2.046 161 L HA 0.037 4.376 4.340 -0.002 0.000 0.208 161 L C 2.781 179.635 176.870 -0.027 0.000 1.077 161 L CA 1.555 56.371 54.840 -0.040 0.000 0.747 161 L CB -0.655 41.379 42.059 -0.042 0.000 0.896 161 L HN 0.194 nan 8.230 nan 0.000 0.432 162 K N -0.987 119.400 120.400 -0.022 0.000 2.057 162 K HA -0.170 4.148 4.320 -0.002 0.000 0.206 162 K C 2.169 178.760 176.600 -0.015 0.000 1.050 162 K CA 1.079 57.357 56.287 -0.016 0.000 0.935 162 K CB -0.211 32.283 32.500 -0.011 0.000 0.715 162 K HN 0.142 nan 8.250 nan 0.000 0.439 163 R N 0.927 121.417 120.500 -0.017 0.000 2.200 163 R HA -0.114 4.224 4.340 -0.002 0.000 0.234 163 R C 1.557 177.847 176.300 -0.017 0.000 1.127 163 R CA 0.932 57.022 56.100 -0.016 0.000 0.989 163 R CB 0.145 30.434 30.300 -0.018 0.000 0.869 163 R HN 0.021 nan 8.270 nan 0.000 0.459 164 V N -0.487 119.415 119.914 -0.019 0.000 3.125 164 V HA 0.025 4.144 4.120 -0.002 0.000 0.249 164 V C 1.005 177.090 176.094 -0.015 0.000 1.113 164 V CA 1.041 63.330 62.300 -0.018 0.000 1.106 164 V CB -0.067 31.744 31.823 -0.021 0.000 0.768 164 V HN 0.392 nan 8.190 nan 0.000 0.468 165 N N -0.380 118.313 118.700 -0.011 0.000 2.622 165 N HA 0.130 4.868 4.740 -0.002 0.000 0.304 165 N C 0.162 175.666 175.510 -0.010 0.000 1.844 165 N CA 0.100 53.144 53.050 -0.011 0.000 0.886 165 N CB 0.753 39.234 38.487 -0.010 0.000 1.366 165 N HN 0.162 nan 8.380 nan 0.000 0.491 166 S N -0.615 115.080 115.700 -0.009 0.000 2.603 166 S HA 0.158 4.627 4.470 -0.002 0.000 0.232 166 S C -0.193 174.403 174.600 -0.006 0.000 1.016 166 S CA -0.025 58.172 58.200 -0.006 0.000 0.976 166 S CB 1.095 64.293 63.200 -0.002 0.000 0.921 166 S HN 0.231 nan 8.310 nan 0.000 0.516 167 T N 2.619 117.165 114.554 -0.012 0.000 2.812 167 T HA 0.382 4.731 4.350 -0.002 0.000 0.282 167 T C -0.579 174.101 174.700 -0.034 0.000 0.990 167 T CA -0.547 61.543 62.100 -0.017 0.000 0.960 167 T CB 1.650 70.511 68.868 -0.012 0.000 0.948 167 T HN -0.016 nan 8.240 nan 0.000 0.438 168 K N 2.399 122.768 120.400 -0.052 0.000 2.130 168 K HA 0.454 4.773 4.320 -0.002 0.000 0.268 168 K C -0.636 175.896 176.600 -0.113 0.000 0.983 168 K CA -0.808 55.435 56.287 -0.073 0.000 0.893 168 K CB 1.691 34.143 32.500 -0.080 0.000 1.066 168 K HN 0.421 nan 8.250 nan 0.000 0.450 169 L N 3.682 124.854 121.223 -0.085 0.000 2.281 169 L HA 0.157 4.496 4.340 -0.002 0.000 0.285 169 L C -0.517 176.272 176.870 -0.134 0.000 1.074 169 L CA -0.057 54.737 54.840 -0.076 0.000 0.817 169 L CB 0.602 42.662 42.059 0.003 0.000 1.168 169 L HN 0.570 nan 8.230 nan 0.000 0.434 170 E N 7.233 127.273 120.200 -0.266 0.000 2.149 170 E HA 0.300 4.649 4.350 -0.002 0.000 0.255 170 E C -0.850 175.667 176.600 -0.139 0.000 0.888 170 E CA -0.420 55.786 56.400 -0.323 0.000 0.742 170 E CB 1.779 30.958 29.700 -0.868 0.000 1.164 170 E HN 0.570 nan 8.360 nan 0.000 0.422 171 L N 4.028 125.243 121.223 -0.014 0.000 2.260 171 L HA 0.368 4.707 4.340 -0.002 0.000 0.289 171 L C -0.103 176.822 176.870 0.093 0.000 1.057 171 L CA -0.811 54.054 54.840 0.042 0.000 0.811 171 L CB 0.402 42.506 42.059 0.074 0.000 1.184 171 L HN 0.277 nan 8.230 nan 0.000 0.429 172 I N 2.499 123.109 120.570 0.066 0.000 2.336 172 I HA 0.237 4.405 4.170 -0.002 0.000 0.292 172 I C -0.240 175.989 176.117 0.188 0.000 0.991 172 I CA -0.287 61.092 61.300 0.132 0.000 1.227 172 I CB 1.180 39.216 38.000 0.060 0.000 1.366 172 I HN 0.435 nan 8.210 nan 0.000 0.466 173 W N 6.082 127.470 121.300 0.148 0.000 2.218 173 W HA 0.570 5.228 4.660 -0.003 0.000 0.326 173 W C 0.529 177.133 176.519 0.142 0.000 1.276 173 W CA 0.308 57.716 57.345 0.104 0.000 1.210 173 W CB 1.344 30.800 29.460 -0.006 0.000 1.143 173 W HN 0.609 nan 8.180 nan 0.000 0.563 174 G N 2.375 111.055 108.800 -0.200 0.000 2.864 174 G HA2 0.297 4.255 3.960 -0.002 0.000 0.223 174 G HA3 0.297 4.255 3.960 -0.002 0.000 0.223 174 G C -0.445 174.221 174.900 -0.390 0.000 3.561 174 G CA -0.100 44.968 45.100 -0.053 0.000 0.548 174 G HN 0.840 nan 8.290 nan 0.000 0.377 175 S N -1.233 114.163 115.700 -0.507 0.000 2.583 175 S HA 0.310 4.778 4.470 -0.002 0.000 0.264 175 S C 0.692 175.137 174.600 -0.259 0.000 1.008 175 S CA 0.840 58.775 58.200 -0.441 0.000 1.435 175 S CB 0.258 63.111 63.200 -0.578 0.000 1.236 175 S HN 1.635 nan 8.310 nan 0.000 0.669 176 T N -0.755 113.710 114.554 -0.148 0.000 2.950 176 T HA 0.632 4.980 4.350 -0.002 0.000 0.288 176 T C 1.176 175.966 174.700 0.150 0.000 1.035 176 T CA -0.883 61.255 62.100 0.062 0.000 1.028 176 T CB 1.313 70.320 68.868 0.232 0.000 1.109 176 T HN -0.043 nan 8.240 nan 0.000 0.514 177 M N -0.201 119.477 119.600 0.130 0.000 2.067 177 M HA 0.036 4.515 4.480 -0.002 0.000 0.260 177 M C -0.120 176.143 176.300 -0.061 0.000 1.069 177 M CA 1.602 56.883 55.300 -0.032 0.000 1.117 177 M CB -0.345 32.153 32.600 -0.170 0.000 1.334 177 M HN 0.665 nan 8.290 nan 0.000 0.407 178 Y N -0.094 120.360 120.300 0.256 0.000 2.313 178 Y HA 0.158 4.707 4.550 -0.003 0.000 0.332 178 Y C 0.573 176.736 175.900 0.440 0.000 1.071 178 Y CA -0.584 57.678 58.100 0.271 0.000 1.169 178 Y CB 0.251 38.843 38.460 0.220 0.000 1.192 178 Y HN 0.086 nan 8.280 nan 0.000 0.487 179 H N 4.015 123.325 119.070 0.400 0.000 2.732 179 H HA 0.030 4.584 4.556 -0.002 0.000 0.351 179 H C 1.015 176.417 175.328 0.124 0.000 1.090 179 H CA 0.355 56.620 56.048 0.362 0.000 1.431 179 H CB 1.227 31.133 29.762 0.241 0.000 1.447 179 H HN 0.833 nan 8.280 nan 0.000 0.582 180 K N 2.829 123.054 120.400 -0.291 0.000 2.113 180 K HA -0.160 4.159 4.320 -0.002 0.000 0.208 180 K C 0.739 177.228 176.600 -0.185 0.000 1.047 180 K CA 1.869 57.855 56.287 -0.502 0.000 0.928 180 K CB 0.219 31.924 32.500 -1.327 0.000 0.716 180 K HN 0.597 nan 8.250 nan 0.000 0.446 181 D N 0.687 121.178 120.400 0.151 0.000 2.312 181 D HA -0.090 4.548 4.640 -0.002 0.000 0.211 181 D C 0.681 176.962 176.300 -0.031 0.000 0.964 181 D CA 0.813 54.834 54.000 0.035 0.000 0.877 181 D CB 0.062 40.882 40.800 0.033 0.000 0.924 181 D HN 0.283 nan 8.370 nan 0.000 0.515 182 D N -0.014 120.390 120.400 0.007 0.000 2.349 182 D HA 0.075 4.714 4.640 -0.002 0.000 0.214 182 D C 0.963 177.163 176.300 -0.166 0.000 1.063 182 D CA -0.094 53.877 54.000 -0.048 0.000 0.847 182 D CB 0.612 41.435 40.800 0.040 0.000 0.933 182 D HN 0.203 nan 8.370 nan 0.000 0.513 183 L N 1.388 122.456 121.223 -0.258 0.000 2.499 183 L HA 0.051 4.389 4.340 -0.002 0.000 0.281 183 L C -1.189 175.316 176.870 -0.609 0.000 1.234 183 L CA -0.949 53.580 54.840 -0.518 0.000 0.839 183 L CB 0.154 41.884 42.059 -0.549 0.000 1.104 183 L HN -0.183 nan 8.230 nan 0.000 0.500 184 P HA 0.070 nan 4.420 nan 0.000 0.253 184 P C -1.007 175.931 177.300 -0.603 0.000 1.260 184 P CA 0.478 63.126 63.100 -0.753 0.000 0.800 184 P CB 0.065 31.309 31.700 -0.759 0.000 1.162 185 F N -2.158 117.719 119.950 -0.122 0.000 2.741 185 F HA 0.365 4.890 4.527 -0.003 0.000 0.311 185 F C -0.821 174.917 175.800 -0.104 0.000 1.149 185 F CA -2.571 55.376 58.000 -0.088 0.000 0.930 185 F CB 0.210 39.175 39.000 -0.058 0.000 1.312 185 F HN -0.287 nan 8.300 nan 0.000 0.450 186 D N 1.090 121.609 120.400 0.197 0.000 2.345 186 D HA 0.203 4.842 4.640 -0.002 0.000 0.247 186 D C 1.345 177.726 176.300 0.134 0.000 1.108 186 D CA -0.174 53.872 54.000 0.077 0.000 0.894 186 D CB 2.429 43.237 40.800 0.013 0.000 1.203 186 D HN 0.692 nan 8.370 nan 0.000 0.430 187 V N 0.197 120.149 119.914 0.063 0.000 2.453 187 V HA -0.273 3.846 4.120 -0.002 0.000 0.252 187 V C 2.157 178.392 176.094 0.234 0.000 1.068 187 V CA 1.085 63.454 62.300 0.115 0.000 1.070 187 V CB -1.384 30.509 31.823 0.118 0.000 0.664 187 V HN 0.614 nan 8.190 nan 0.000 0.461 188 F N 0.542 120.492 119.950 0.000 0.000 2.333 188 F HA -0.083 4.442 4.527 -0.003 0.000 0.300 188 F C 1.764 177.539 175.800 -0.041 0.000 1.083 188 F CA 1.061 59.055 58.000 -0.011 0.000 1.395 188 F CB 0.074 39.075 39.000 0.002 0.000 1.056 188 F HN 0.282 nan 8.300 nan 0.000 0.529 189 D N 0.988 121.466 120.400 0.130 0.000 2.615 189 D HA 0.113 4.752 4.640 -0.002 0.000 0.236 189 D C -0.173 175.978 176.300 -0.248 0.000 1.233 189 D CA -0.036 53.953 54.000 -0.018 0.000 0.829 189 D CB 0.210 41.025 40.800 0.025 0.000 1.024 189 D HN 0.074 nan 8.370 nan 0.000 0.490 190 L N 1.929 123.014 121.223 -0.230 0.000 2.455 190 L HA 0.202 4.540 4.340 -0.002 0.000 0.272 190 L C -2.307 174.390 176.870 -0.289 0.000 1.174 190 L CA -0.957 53.641 54.840 -0.404 0.000 0.869 190 L CB 0.398 42.355 42.059 -0.170 0.000 1.130 190 L HN -0.214 nan 8.230 nan 0.000 0.474 191 P HA 0.019 nan 4.420 nan 0.000 0.265 191 P C -0.425 176.904 177.300 0.047 0.000 1.193 191 P CA 0.119 63.142 63.100 -0.128 0.000 0.765 191 P CB 0.483 32.117 31.700 -0.109 0.000 0.823 192 D N 1.014 121.439 120.400 0.041 0.000 2.363 192 D HA -0.004 4.634 4.640 -0.002 0.000 0.220 192 D C 0.187 176.587 176.300 0.167 0.000 0.994 192 D CA 0.889 54.954 54.000 0.109 0.000 0.890 192 D CB 0.252 41.076 40.800 0.040 0.000 0.906 192 D HN 0.089 nan 8.370 nan 0.000 0.530 193 V N 1.961 121.930 119.914 0.093 0.000 2.384 193 V HA 0.028 4.146 4.120 -0.002 0.000 0.287 193 V C 0.883 176.921 176.094 -0.093 0.000 1.020 193 V CA -0.845 61.495 62.300 0.067 0.000 0.850 193 V CB 1.458 33.303 31.823 0.036 0.000 0.987 193 V HN 0.024 nan 8.190 nan 0.000 0.436 194 Y N 4.702 124.787 120.300 -0.357 0.000 2.102 194 Y HA -0.316 4.232 4.550 -0.003 0.000 0.280 194 Y C 2.366 177.950 175.900 -0.528 0.000 1.178 194 Y CA 2.737 60.268 58.100 -0.948 0.000 1.146 194 Y CB -0.320 37.421 38.460 -1.199 0.000 0.968 194 Y HN 0.686 nan 8.280 nan 0.000 0.504 195 T N 0.852 115.222 114.554 -0.307 0.000 2.699 195 T HA -0.295 4.053 4.350 -0.002 0.000 0.268 195 T C 1.672 176.202 174.700 -0.283 0.000 1.036 195 T CA 2.054 64.000 62.100 -0.257 0.000 1.147 195 T CB -0.324 68.544 68.868 -0.000 0.000 0.862 195 T HN 0.565 nan 8.240 nan 0.000 0.446 196 Q N -0.184 119.499 119.800 -0.195 0.000 2.079 196 Q HA -0.047 4.291 4.340 -0.002 0.000 0.200 196 Q C 2.100 178.004 176.000 -0.160 0.000 0.974 196 Q CA 1.303 57.026 55.803 -0.134 0.000 0.840 196 Q CB -0.409 28.285 28.738 -0.073 0.000 0.898 196 Q HN 0.565 nan 8.270 nan 0.000 0.430 197 F N 1.878 121.596 119.950 -0.388 0.000 2.102 197 F HA -0.174 4.351 4.527 -0.003 0.000 0.298 197 F C 2.452 178.009 175.800 -0.406 0.000 1.105 197 F CA 1.349 59.156 58.000 -0.322 0.000 1.239 197 F CB -0.080 38.665 39.000 -0.425 0.000 0.991 197 F HN -0.130 nan 8.300 nan 0.000 0.474 198 R N 1.265 121.304 120.500 -0.768 0.000 2.082 198 R HA -0.179 4.160 4.340 -0.002 0.000 0.234 198 R C 2.241 178.236 176.300 -0.508 0.000 1.136 198 R CA 2.161 57.778 56.100 -0.805 0.000 0.935 198 R CB -0.635 29.048 30.300 -1.028 0.000 0.842 198 R HN 0.329 nan 8.270 nan 0.000 0.430 199 K N -0.064 120.127 120.400 -0.349 0.000 2.074 199 K HA -0.135 4.184 4.320 -0.002 0.000 0.209 199 K C 2.261 178.720 176.600 -0.236 0.000 1.048 199 K CA 1.799 57.961 56.287 -0.210 0.000 0.926 199 K CB -0.302 32.117 32.500 -0.133 0.000 0.713 199 K HN 0.122 nan 8.250 nan 0.000 0.444 200 S N 0.620 116.160 115.700 -0.265 0.000 2.356 200 S HA -0.126 4.343 4.470 -0.002 0.000 0.223 200 S C 1.996 176.353 174.600 -0.404 0.000 1.032 200 S CA 1.270 59.325 58.200 -0.242 0.000 1.005 200 S CB -0.206 62.952 63.200 -0.070 0.000 0.867 200 S HN 0.201 nan 8.310 nan 0.000 0.449 201 V N 1.595 121.119 119.914 -0.650 0.000 2.453 201 V HA -0.063 4.055 4.120 -0.002 0.000 0.247 201 V C 2.249 177.955 176.094 -0.646 0.000 1.048 201 V CA 2.030 63.799 62.300 -0.884 0.000 1.049 201 V CB -0.551 30.405 31.823 -1.447 0.000 0.672 201 V HN 0.542 nan 8.190 nan 0.000 0.457 202 E N 0.012 119.969 120.200 -0.405 0.000 2.110 202 E HA -0.159 4.190 4.350 -0.002 0.000 0.193 202 E C 2.109 178.658 176.600 -0.085 0.000 0.988 202 E CA 1.338 57.662 56.400 -0.126 0.000 0.804 202 E CB -0.206 29.470 29.700 -0.039 0.000 0.745 202 E HN 0.667 nan 8.360 nan 0.000 0.458 203 A N 0.806 123.543 122.820 -0.138 0.000 2.044 203 A HA -0.001 4.317 4.320 -0.002 0.000 0.213 203 A C 1.584 179.105 177.584 -0.105 0.000 1.169 203 A CA 0.549 52.529 52.037 -0.096 0.000 0.724 203 A CB 0.269 19.214 19.000 -0.091 0.000 0.840 203 A HN -0.025 nan 8.150 nan 0.000 0.463 204 K N -1.756 118.542 120.400 -0.169 0.000 2.469 204 K HA 0.263 4.582 4.320 -0.002 0.000 0.204 204 K C 0.227 176.723 176.600 -0.174 0.000 1.047 204 K CA 0.029 56.217 56.287 -0.164 0.000 1.072 204 K CB 0.501 32.883 32.500 -0.197 0.000 0.863 204 K HN 0.431 nan 8.250 nan 0.000 0.530 205 C N 0.302 119.511 119.300 -0.151 0.000 2.426 205 C HA 0.142 4.601 4.460 -0.002 0.000 0.436 205 C C 0.314 175.356 174.990 0.088 0.000 1.380 205 C CA 0.269 59.242 59.018 -0.075 0.000 2.446 205 C CB 0.315 27.934 27.740 -0.202 0.000 2.794 205 C HN 0.632 nan 8.230 nan 0.000 0.559 206 S N 0.439 116.247 115.700 0.179 0.000 3.217 206 S HA -0.167 4.301 4.470 -0.002 0.000 0.857 206 S C -0.838 173.821 174.600 0.097 0.000 1.078 206 S CA -0.078 58.199 58.200 0.129 0.000 1.169 206 S CB -1.467 61.779 63.200 0.076 0.000 0.822 206 S HN 0.518 nan 8.310 nan 0.000 0.256 207 I N 3.593 124.124 120.570 -0.065 0.000 2.385 207 I HA 0.407 4.575 4.170 -0.002 0.000 0.294 207 I C 1.294 177.424 176.117 0.022 0.000 0.988 207 I CA -0.843 60.355 61.300 -0.171 0.000 1.265 207 I CB 1.160 38.816 38.000 -0.573 0.000 1.388 207 I HN 0.619 nan 8.210 nan 0.000 0.480 208 R N 3.396 123.936 120.500 0.066 0.000 2.594 208 R HA 0.190 4.529 4.340 -0.002 0.000 0.272 208 R C 0.278 176.662 176.300 0.140 0.000 1.074 208 R CA -0.331 55.832 56.100 0.106 0.000 1.105 208 R CB 0.642 31.015 30.300 0.120 0.000 1.008 208 R HN 0.775 nan 8.270 nan 0.000 0.472 209 S N 0.800 116.581 115.700 0.135 0.000 2.593 209 S HA 0.074 4.543 4.470 -0.002 0.000 0.269 209 S C 0.347 175.035 174.600 0.147 0.000 1.334 209 S CA -0.908 57.385 58.200 0.156 0.000 1.015 209 S CB 1.200 64.472 63.200 0.119 0.000 0.912 209 S HN 0.642 nan 8.310 nan 0.000 0.541 210 S N 1.468 117.277 115.700 0.183 0.000 2.572 210 S HA 0.234 4.702 4.470 -0.002 0.000 0.279 210 S C 0.030 174.685 174.600 0.092 0.000 1.341 210 S CA -0.639 57.656 58.200 0.160 0.000 1.043 210 S CB -0.175 63.154 63.200 0.214 0.000 0.887 210 S HN 0.749 nan 8.310 nan 0.000 0.516 211 T N 3.880 118.453 114.554 0.032 0.000 2.737 211 T HA 0.235 4.583 4.350 -0.002 0.000 0.296 211 T C 0.432 175.072 174.700 -0.100 0.000 0.922 211 T CA -0.260 61.786 62.100 -0.091 0.000 1.079 211 T CB -0.050 68.744 68.868 -0.123 0.000 0.892 211 T HN 0.526 nan 8.240 nan 0.000 0.514 212 R N 2.915 123.336 120.500 -0.131 0.000 2.438 212 R HA 0.324 4.663 4.340 -0.002 0.000 0.287 212 R C -0.063 176.151 176.300 -0.144 0.000 1.077 212 R CA -0.395 55.661 56.100 -0.075 0.000 1.034 212 R CB 0.454 30.729 30.300 -0.041 0.000 0.993 212 R HN 0.458 nan 8.270 nan 0.000 0.459 213 I N 4.574 125.082 120.570 -0.103 0.000 2.441 213 I HA 0.340 4.508 4.170 -0.002 0.000 0.295 213 I C -2.145 173.845 176.117 -0.211 0.000 0.994 213 I CA -3.174 58.033 61.300 -0.155 0.000 1.144 213 I CB 1.512 39.408 38.000 -0.172 0.000 1.314 213 I HN 0.270 nan 8.210 nan 0.000 0.445 214 P HA 0.224 nan 4.420 nan 0.000 0.272 214 P C 0.977 178.098 177.300 -0.297 0.000 1.223 214 P CA -0.217 62.670 63.100 -0.355 0.000 0.784 214 P CB 0.897 32.192 31.700 -0.675 0.000 0.923 215 L N 0.130 121.242 121.223 -0.185 0.000 2.291 215 L HA -0.013 4.326 4.340 -0.002 0.000 0.214 215 L C 1.076 177.861 176.870 -0.142 0.000 1.120 215 L CA 1.230 55.983 54.840 -0.145 0.000 0.799 215 L CB -0.145 41.868 42.059 -0.077 0.000 0.925 215 L HN 0.352 nan 8.230 nan 0.000 0.446 216 S N 0.213 115.823 115.700 -0.149 0.000 2.596 216 S HA 0.447 4.915 4.470 -0.002 0.000 0.318 216 S C -0.174 174.349 174.600 -0.128 0.000 1.097 216 S CA -0.628 57.520 58.200 -0.087 0.000 1.080 216 S CB 0.816 64.011 63.200 -0.008 0.000 0.991 216 S HN 0.140 nan 8.310 nan 0.000 0.471 217 L N 5.205 126.382 121.223 -0.076 0.000 3.048 217 L HA 0.411 4.749 4.340 -0.002 0.000 0.234 217 L C 1.317 178.352 176.870 0.275 0.000 1.318 217 L CA -0.370 54.482 54.840 0.019 0.000 1.109 217 L CB -0.689 41.335 42.059 -0.058 0.000 1.480 217 L HN 1.013 nan 8.230 nan 0.000 0.495 218 G N 2.081 111.080 108.800 0.333 0.000 2.726 218 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.261 218 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.261 218 G C -2.628 172.356 174.900 0.140 0.000 1.352 218 G CA -0.663 44.575 45.100 0.230 0.000 0.906 218 G HN 0.328 nan 8.290 nan 0.000 0.566 219 P HA 0.498 nan 4.420 nan 0.000 0.284 219 P C 0.105 177.479 177.300 0.123 0.000 1.287 219 P CA 0.347 63.509 63.100 0.103 0.000 0.824 219 P CB 1.624 33.379 31.700 0.091 0.000 1.180 220 T N -3.226 111.422 114.554 0.157 0.000 2.938 220 T HA 0.644 4.993 4.350 -0.002 0.000 0.285 220 T C -2.520 172.310 174.700 0.217 0.000 1.028 220 T CA -2.285 59.946 62.100 0.219 0.000 1.005 220 T CB 0.459 69.555 68.868 0.380 0.000 1.157 220 T HN 0.149 nan 8.240 nan 0.000 0.550 221 P HA 0.292 nan 4.420 nan 0.000 0.282 221 P C 1.000 178.441 177.300 0.235 0.000 1.286 221 P CA -0.516 62.707 63.100 0.205 0.000 0.777 221 P CB 0.241 32.071 31.700 0.217 0.000 1.184 222 S N -0.840 114.999 115.700 0.232 0.000 2.349 222 S HA -0.055 4.413 4.470 -0.002 0.000 0.216 222 S C -0.019 174.657 174.600 0.127 0.000 1.033 222 S CA 1.249 59.553 58.200 0.174 0.000 1.021 222 S CB -0.710 62.555 63.200 0.109 0.000 0.968 222 S HN 0.312 nan 8.310 nan 0.000 0.426 223 V N 3.045 123.014 119.914 0.091 0.000 3.548 223 V HA -0.148 3.970 4.120 -0.002 0.000 0.496 223 V C 0.418 176.405 176.094 -0.178 0.000 0.682 223 V CA 0.808 63.008 62.300 -0.166 0.000 2.033 223 V CB -1.049 30.240 31.823 -0.891 0.000 2.463 223 V HN 0.808 nan 8.190 nan 0.000 0.506 224 D N 1.788 122.120 120.400 -0.113 0.000 2.339 224 D HA 0.139 4.778 4.640 -0.002 0.000 0.217 224 D C 0.421 176.695 176.300 -0.044 0.000 1.050 224 D CA 0.525 54.497 54.000 -0.047 0.000 0.856 224 D CB 0.879 41.666 40.800 -0.022 0.000 0.922 224 D HN 0.764 nan 8.370 nan 0.000 0.518 225 D N -0.471 119.846 120.400 -0.138 0.000 2.333 225 D HA 0.076 4.715 4.640 -0.002 0.000 0.225 225 D C -0.660 175.586 176.300 -0.090 0.000 1.345 225 D CA -0.632 53.341 54.000 -0.045 0.000 0.971 225 D CB -0.115 40.681 40.800 -0.007 0.000 1.451 225 D HN -0.092 nan 8.370 nan 0.000 0.561 226 W N 3.460 124.792 121.300 0.053 0.000 3.077 226 W HA 0.336 4.995 4.660 -0.002 0.000 0.245 226 W C 1.748 178.295 176.519 0.047 0.000 1.316 226 W CA 0.739 58.112 57.345 0.048 0.000 1.537 226 W CB 0.035 29.516 29.460 0.036 0.000 1.131 226 W HN 0.698 nan 8.180 nan 0.000 0.695 227 G N 1.022 109.942 108.800 0.201 0.000 2.645 227 G HA2 -0.209 3.750 3.960 -0.002 0.000 0.246 227 G HA3 -0.209 3.750 3.960 -0.002 0.000 0.246 227 G C -0.943 174.042 174.900 0.141 0.000 1.322 227 G CA 0.157 45.343 45.100 0.143 0.000 0.898 227 G HN 0.173 nan 8.290 nan 0.000 0.573 228 D N -2.655 117.808 120.400 0.105 0.000 2.653 228 D HA 0.478 5.117 4.640 -0.002 0.000 0.258 228 D C -0.238 176.097 176.300 0.058 0.000 1.252 228 D CA 0.022 54.066 54.000 0.074 0.000 0.777 228 D CB 1.658 42.490 40.800 0.054 0.000 1.339 228 D HN 0.788 nan 8.370 nan 0.000 0.422 229 V N 2.911 122.842 119.914 0.029 0.000 2.470 229 V HA 0.336 4.455 4.120 -0.002 0.000 0.276 229 V C -1.707 174.391 176.094 0.007 0.000 1.040 229 V CA -0.849 61.459 62.300 0.012 0.000 1.008 229 V CB 0.532 32.339 31.823 -0.027 0.000 0.990 229 V HN 0.479 nan 8.190 nan 0.000 0.477 230 P HA 0.166 nan 4.420 nan 0.000 0.272 230 P C 1.168 178.453 177.300 -0.024 0.000 1.230 230 P CA -0.230 62.864 63.100 -0.010 0.000 0.788 230 P CB 0.452 32.137 31.700 -0.024 0.000 0.949 231 T N -1.076 113.462 114.554 -0.027 0.000 2.777 231 T HA -0.091 4.257 4.350 -0.002 0.000 0.266 231 T C 0.968 175.648 174.700 -0.033 0.000 1.040 231 T CA 1.196 63.282 62.100 -0.024 0.000 1.141 231 T CB -0.324 68.534 68.868 -0.017 0.000 0.868 231 T HN 0.312 nan 8.240 nan 0.000 0.444 232 L N -1.160 120.026 121.223 -0.062 0.000 1.746 232 L HA -0.078 4.260 4.340 -0.002 0.000 0.501 232 L C 1.369 178.190 176.870 -0.083 0.000 0.736 232 L CA 1.392 56.181 54.840 -0.085 0.000 2.975 232 L CB -1.339 40.703 42.059 -0.028 0.000 0.864 232 L HN 0.226 nan 8.230 nan 0.000 0.702 233 E N 0.792 120.967 120.200 -0.042 0.000 2.153 233 E HA -0.250 4.098 4.350 -0.002 0.000 0.194 233 E C 1.759 178.334 176.600 -0.043 0.000 0.988 233 E CA 1.748 58.131 56.400 -0.028 0.000 0.811 233 E CB 0.169 29.862 29.700 -0.010 0.000 0.746 233 E HN 0.410 nan 8.360 nan 0.000 0.466 234 K N 0.354 120.722 120.400 -0.053 0.000 2.280 234 K HA -0.018 4.301 4.320 -0.002 0.000 0.202 234 K C 1.856 178.401 176.600 -0.093 0.000 1.047 234 K CA 0.659 56.914 56.287 -0.054 0.000 0.942 234 K CB -0.123 32.351 32.500 -0.044 0.000 0.739 234 K HN 0.182 nan 8.250 nan 0.000 0.457 235 L N -1.517 119.608 121.223 -0.164 0.000 2.640 235 L HA 0.271 4.610 4.340 -0.002 0.000 0.230 235 L C 0.957 177.703 176.870 -0.207 0.000 1.123 235 L CA 0.267 54.927 54.840 -0.301 0.000 0.900 235 L CB 0.268 41.934 42.059 -0.656 0.000 1.146 235 L HN 0.421 nan 8.230 nan 0.000 0.484 236 G N 0.435 109.182 108.800 -0.088 0.000 2.141 236 G HA2 -0.228 3.731 3.960 -0.002 0.000 0.242 236 G HA3 -0.228 3.731 3.960 -0.002 0.000 0.242 236 G C 0.031 174.944 174.900 0.021 0.000 0.982 236 G CA 0.051 45.147 45.100 -0.008 0.000 0.662 236 G HN 0.114 nan 8.290 nan 0.000 0.527 237 V N 0.545 120.452 119.914 -0.012 0.000 2.581 237 V HA 0.547 4.665 4.120 -0.002 0.000 0.303 237 V C 0.097 176.211 176.094 0.033 0.000 1.041 237 V CA -0.922 61.405 62.300 0.044 0.000 0.907 237 V CB 1.875 33.740 31.823 0.069 0.000 0.994 237 V HN 0.343 nan 8.190 nan 0.000 0.442 238 E N 4.530 124.762 120.200 0.053 0.000 2.109 238 E HA 0.365 4.713 4.350 -0.002 0.000 0.278 238 E C -2.522 174.107 176.600 0.048 0.000 0.954 238 E CA -1.757 54.669 56.400 0.043 0.000 0.779 238 E CB 1.201 30.929 29.700 0.047 0.000 1.093 238 E HN 0.487 nan 8.360 nan 0.000 0.401 239 P HA -0.141 nan 4.420 nan 0.000 0.264 239 P C -0.868 176.459 177.300 0.047 0.000 1.179 239 P CA 0.508 63.633 63.100 0.042 0.000 0.763 239 P CB 0.407 32.125 31.700 0.031 0.000 0.806 240 Q N 1.346 121.178 119.800 0.052 0.000 2.347 240 Q HA 0.261 4.599 4.340 -0.002 0.000 0.271 240 Q C -0.983 175.051 176.000 0.057 0.000 1.064 240 Q CA -0.747 55.088 55.803 0.053 0.000 0.800 240 Q CB 1.647 30.418 28.738 0.055 0.000 1.304 240 Q HN 0.412 nan 8.270 nan 0.000 0.438 241 E N 2.667 122.900 120.200 0.054 0.000 2.266 241 E HA 0.289 4.638 4.350 -0.002 0.000 0.277 241 E C -1.146 175.496 176.600 0.071 0.000 1.018 241 E CA -0.603 55.831 56.400 0.058 0.000 0.840 241 E CB 1.383 31.110 29.700 0.046 0.000 1.082 241 E HN 0.447 nan 8.360 nan 0.000 0.395 242 V N 4.669 124.633 119.914 0.083 0.000 2.389 242 V HA 0.031 4.150 4.120 -0.002 0.000 0.264 242 V C 1.268 177.416 176.094 0.089 0.000 1.049 242 V CA 0.304 62.669 62.300 0.108 0.000 0.932 242 V CB 0.739 32.639 31.823 0.128 0.000 1.011 242 V HN 0.907 nan 8.190 nan 0.000 0.475 243 T N 2.289 116.899 114.554 0.092 0.000 3.081 243 T HA 0.228 4.576 4.350 -0.002 0.000 0.250 243 T C 0.523 175.239 174.700 0.026 0.000 1.100 243 T CA -0.092 62.040 62.100 0.053 0.000 1.038 243 T CB 0.076 68.969 68.868 0.042 0.000 0.962 243 T HN 0.672 nan 8.240 nan 0.000 0.516 244 R N -0.776 119.766 120.500 0.069 0.000 2.739 244 R HA 0.514 4.853 4.340 -0.002 0.000 0.266 244 R C -0.062 176.330 176.300 0.153 0.000 1.044 244 R CA 0.125 56.212 56.100 -0.022 0.000 0.885 244 R CB 0.490 30.624 30.300 -0.278 0.000 1.260 244 R HN 0.563 nan 8.270 nan 0.000 0.477 245 G N 1.876 110.754 108.800 0.129 0.000 2.587 245 G HA2 -0.138 3.820 3.960 -0.002 0.000 0.212 245 G HA3 -0.138 3.820 3.960 -0.002 0.000 0.212 245 G C -0.665 174.355 174.900 0.199 0.000 1.327 245 G CA -0.251 45.055 45.100 0.344 0.000 0.898 245 G HN 0.643 nan 8.290 nan 0.000 0.551 246 M N 0.809 120.563 119.600 0.257 0.000 2.211 246 M HA 0.364 4.843 4.480 -0.002 0.000 0.356 246 M C 1.611 177.964 176.300 0.088 0.000 1.216 246 M CA -0.208 55.124 55.300 0.054 0.000 1.134 246 M CB 1.521 34.010 32.600 -0.186 0.000 1.564 246 M HN 0.688 nan 8.290 nan 0.000 0.463 247 R N 2.523 123.032 120.500 0.016 0.000 2.105 247 R HA 0.141 4.480 4.340 -0.002 0.000 0.214 247 R C -0.660 175.789 176.300 0.247 0.000 1.091 247 R CA 0.547 56.724 56.100 0.128 0.000 1.007 247 R CB 0.475 30.834 30.300 0.100 0.000 0.912 247 R HN 0.636 nan 8.270 nan 0.000 0.450 248 F N -0.454 119.553 119.950 0.096 0.000 2.132 248 F HA -0.181 4.344 4.527 -0.002 0.000 0.497 248 F C -1.019 174.934 175.800 0.255 0.000 1.263 248 F CA 0.013 58.077 58.000 0.106 0.000 1.599 248 F CB -0.653 38.258 39.000 -0.149 0.000 2.555 248 F HN -0.221 nan 8.300 nan 0.000 0.725 249 V N 4.388 124.625 119.914 0.538 0.000 2.347 249 V HA 0.666 4.784 4.120 -0.002 0.000 0.280 249 V C 0.897 177.172 176.094 0.300 0.000 1.021 249 V CA -0.179 62.340 62.300 0.365 0.000 0.847 249 V CB 1.287 33.284 31.823 0.290 0.000 0.990 249 V HN 1.044 nan 8.190 nan 0.000 0.444 250 G N 2.903 111.509 108.800 -0.323 0.000 2.544 250 G HA2 0.556 4.515 3.960 -0.002 0.000 0.242 250 G HA3 0.556 4.515 3.960 -0.002 0.000 0.242 250 G C 0.301 175.005 174.900 -0.327 0.000 1.247 250 G CA 0.485 44.943 45.100 -1.070 0.000 0.840 250 G HN 1.604 nan 8.290 nan 0.000 0.578 251 G N 0.039 108.703 108.800 -0.226 0.000 2.640 251 G HA2 -0.031 3.927 3.960 -0.002 0.000 0.686 251 G HA3 -0.031 3.927 3.960 -0.002 0.000 0.686 251 G C 0.427 175.384 174.900 0.095 0.000 1.229 251 G CA 0.450 45.516 45.100 -0.057 0.000 0.796 251 G HN 0.918 nan 8.290 nan 0.000 0.654 252 E N 0.357 120.570 120.200 0.023 0.000 2.085 252 E HA -0.143 4.205 4.350 -0.002 0.000 0.194 252 E C 2.415 178.954 176.600 -0.101 0.000 0.994 252 E CA 2.159 58.553 56.400 -0.009 0.000 0.801 252 E CB -0.195 29.517 29.700 0.019 0.000 0.743 252 E HN 0.494 nan 8.360 nan 0.000 0.453 253 S N 0.715 116.369 115.700 -0.077 0.000 2.353 253 S HA -0.220 4.248 4.470 -0.002 0.000 0.222 253 S C 2.128 176.611 174.600 -0.195 0.000 1.035 253 S CA 1.289 59.392 58.200 -0.162 0.000 1.025 253 S CB -0.499 62.630 63.200 -0.118 0.000 0.902 253 S HN 0.544 nan 8.310 nan 0.000 0.440 254 A N 1.452 124.201 122.820 -0.119 0.000 1.933 254 A HA 0.056 4.375 4.320 -0.002 0.000 0.218 254 A C 2.334 179.594 177.584 -0.540 0.000 1.175 254 A CA 1.805 53.769 52.037 -0.122 0.000 0.628 254 A CB -1.447 17.663 19.000 0.184 0.000 0.814 254 A HN 0.531 nan 8.150 nan 0.000 0.444 255 G N -0.637 107.663 108.800 -0.832 0.000 2.421 255 G HA2 -0.125 3.833 3.960 -0.002 0.000 0.216 255 G HA3 -0.125 3.833 3.960 -0.002 0.000 0.216 255 G C 1.476 175.933 174.900 -0.739 0.000 1.171 255 G CA 1.208 45.434 45.100 -1.457 0.000 0.775 255 G HN 0.326 nan 8.290 nan 0.000 0.543 256 V N 1.520 121.177 119.914 -0.429 0.000 2.626 256 V HA -0.032 4.086 4.120 -0.002 0.000 0.252 256 V C 3.024 179.021 176.094 -0.162 0.000 1.067 256 V CA 1.723 63.878 62.300 -0.242 0.000 1.081 256 V CB -0.621 31.027 31.823 -0.291 0.000 0.686 256 V HN 0.450 nan 8.190 nan 0.000 0.468 257 G N 0.056 108.720 108.800 -0.227 0.000 2.408 257 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.217 257 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.217 257 G C 1.664 176.561 174.900 -0.004 0.000 1.150 257 G CA 0.817 45.871 45.100 -0.076 0.000 0.776 257 G HN 0.441 nan 8.290 nan 0.000 0.542 258 R N 0.400 120.760 120.500 -0.233 0.000 2.092 258 R HA 0.051 4.390 4.340 -0.002 0.000 0.231 258 R C 2.514 178.835 176.300 0.034 0.000 1.119 258 R CA 1.312 57.334 56.100 -0.129 0.000 0.970 258 R CB -0.908 29.173 30.300 -0.365 0.000 0.864 258 R HN 0.197 nan 8.270 nan 0.000 0.440 259 V N 0.923 120.730 119.914 -0.178 0.000 2.295 259 V HA -0.217 3.902 4.120 -0.002 0.000 0.246 259 V C 2.074 178.148 176.094 -0.034 0.000 1.049 259 V CA 2.040 64.141 62.300 -0.333 0.000 1.024 259 V CB -0.786 30.731 31.823 -0.509 0.000 0.648 259 V HN 0.354 nan 8.190 nan 0.000 0.447 260 F N 1.337 121.317 119.950 0.050 0.000 2.095 260 F HA -0.216 4.311 4.527 -0.001 0.000 0.298 260 F C 2.481 178.435 175.800 0.256 0.000 1.104 260 F CA 2.384 60.544 58.000 0.267 0.000 1.232 260 F CB -0.394 38.687 39.000 0.135 0.000 0.987 260 F HN 0.269 nan 8.300 nan 0.000 0.475 261 E N -1.168 119.004 120.200 -0.045 0.000 2.051 261 E HA -0.309 4.039 4.350 -0.002 0.000 0.192 261 E C 2.276 178.837 176.600 -0.064 0.000 0.991 261 E CA 1.595 57.911 56.400 -0.139 0.000 0.799 261 E CB -0.681 29.051 29.700 0.053 0.000 0.748 261 E HN 0.589 nan 8.360 nan 0.000 0.449 262 Y N -0.341 119.925 120.300 -0.056 0.000 2.263 262 Y HA -0.154 4.395 4.550 -0.002 0.000 0.292 262 Y C 1.720 177.668 175.900 0.080 0.000 1.130 262 Y CA 1.391 59.486 58.100 -0.008 0.000 1.179 262 Y CB -0.085 38.367 38.460 -0.014 0.000 0.998 262 Y HN 0.088 nan 8.280 nan 0.000 0.532 263 F N -1.780 118.036 119.950 -0.225 0.000 2.104 263 F HA -0.061 4.465 4.527 -0.003 0.000 0.288 263 F C 1.836 177.283 175.800 -0.588 0.000 1.107 263 F CA 0.944 58.587 58.000 -0.596 0.000 1.208 263 F CB -1.552 37.022 39.000 -0.709 0.000 1.033 263 F HN 0.065 nan 8.300 nan 0.000 0.478 264 W N 0.387 121.725 121.300 0.063 0.000 2.539 264 W HA 0.086 4.745 4.660 -0.002 0.000 0.299 264 W C 2.502 178.874 176.519 -0.245 0.000 1.165 264 W CA 0.662 57.977 57.345 -0.049 0.000 1.400 264 W CB -0.897 28.549 29.460 -0.023 0.000 1.123 264 W HN -0.170 nan 8.180 nan 0.000 0.533 265 K N 1.207 121.372 120.400 -0.392 0.000 2.009 265 K HA -0.183 4.135 4.320 -0.002 0.000 0.210 265 K C 1.661 178.180 176.600 -0.135 0.000 1.049 265 K CA 1.719 57.816 56.287 -0.316 0.000 0.929 265 K CB -0.210 32.007 32.500 -0.471 0.000 0.714 265 K HN 0.034 nan 8.250 nan 0.000 0.440 266 K N -0.102 120.205 120.400 -0.155 0.000 2.379 266 K HA -0.042 4.276 4.320 -0.002 0.000 0.194 266 K C -0.024 176.489 176.600 -0.145 0.000 1.031 266 K CA 0.608 56.817 56.287 -0.129 0.000 1.037 266 K CB 0.281 32.699 32.500 -0.137 0.000 0.824 266 K HN 0.220 nan 8.250 nan 0.000 0.516 267 D N 0.590 120.901 120.400 -0.147 0.000 2.811 267 D HA -0.182 4.456 4.640 -0.002 0.000 0.231 267 D C 0.196 176.373 176.300 -0.205 0.000 1.157 267 D CA 0.443 54.383 54.000 -0.100 0.000 0.716 267 D CB -1.074 39.721 40.800 -0.008 0.000 1.077 267 D HN 0.214 nan 8.370 nan 0.000 0.428 268 L N -0.604 120.362 121.223 -0.428 0.000 2.492 268 L HA 0.043 4.381 4.340 -0.002 0.000 0.223 268 L C 2.297 178.858 176.870 -0.515 0.000 1.132 268 L CA -0.091 54.450 54.840 -0.497 0.000 0.850 268 L CB -0.231 41.403 42.059 -0.709 0.000 0.966 268 L HN 0.233 nan 8.230 nan 0.000 0.454 269 L N 1.408 122.234 121.223 -0.662 0.000 2.127 269 L HA -0.224 4.114 4.340 -0.002 0.000 0.211 269 L C 2.530 179.223 176.870 -0.296 0.000 1.089 269 L CA 1.828 56.305 54.840 -0.605 0.000 0.757 269 L CB -0.523 40.678 42.059 -1.430 0.000 0.899 269 L HN 0.330 nan 8.230 nan 0.000 0.434 270 K N -0.925 119.367 120.400 -0.178 0.000 2.555 270 K HA -0.006 4.313 4.320 -0.002 0.000 0.193 270 K C 0.977 177.586 176.600 0.017 0.000 1.032 270 K CA 1.284 57.574 56.287 0.005 0.000 1.004 270 K CB -0.292 32.262 32.500 0.091 0.000 0.804 270 K HN 0.385 nan 8.250 nan 0.000 0.496 271 V N -3.629 116.286 119.914 0.003 0.000 3.330 271 V HA 0.117 4.236 4.120 -0.002 0.000 0.309 271 V C 1.661 177.786 176.094 0.052 0.000 1.481 271 V CA -0.687 61.621 62.300 0.014 0.000 1.068 271 V CB -0.941 30.875 31.823 -0.012 0.000 0.935 271 V HN 0.210 nan 8.190 nan 0.000 0.453 272 Y N 2.617 122.931 120.300 0.022 0.000 2.102 272 Y HA -0.273 4.276 4.550 -0.002 0.000 0.280 272 Y C 2.441 178.391 175.900 0.083 0.000 1.178 272 Y CA 2.761 60.933 58.100 0.119 0.000 1.146 272 Y CB -0.081 38.488 38.460 0.182 0.000 0.968 272 Y HN 0.346 nan 8.280 nan 0.000 0.504 273 K N 0.531 120.844 120.400 -0.145 0.000 2.152 273 K HA -0.225 4.093 4.320 -0.002 0.000 0.206 273 K C 1.740 178.115 176.600 -0.375 0.000 1.048 273 K CA 1.854 57.910 56.287 -0.385 0.000 0.933 273 K CB -0.261 32.063 32.500 -0.293 0.000 0.721 273 K HN 0.758 nan 8.250 nan 0.000 0.447 274 E N -0.786 119.284 120.200 -0.216 0.000 2.502 274 E HA -0.059 4.290 4.350 -0.002 0.000 0.194 274 E C 0.962 177.491 176.600 -0.120 0.000 1.062 274 E CA 1.171 57.476 56.400 -0.159 0.000 0.867 274 E CB 0.311 29.952 29.700 -0.098 0.000 0.888 274 E HN 0.331 nan 8.360 nan 0.000 0.510 275 T N -1.159 113.315 114.554 -0.134 0.000 2.975 275 T HA 0.099 4.448 4.350 -0.002 0.000 0.261 275 T C 1.777 176.463 174.700 -0.023 0.000 0.984 275 T CA -0.096 61.981 62.100 -0.039 0.000 0.911 275 T CB -0.121 68.781 68.868 0.056 0.000 1.127 275 T HN 0.233 nan 8.240 nan 0.000 0.514 276 R N 1.722 122.088 120.500 -0.223 0.000 2.226 276 R HA -0.020 4.318 4.340 -0.002 0.000 0.246 276 R C 1.277 177.565 176.300 -0.020 0.000 1.161 276 R CA 1.511 57.505 56.100 -0.178 0.000 0.997 276 R CB -0.803 29.190 30.300 -0.511 0.000 0.870 276 R HN 0.247 nan 8.270 nan 0.000 0.465 277 N N 0.967 119.602 118.700 -0.108 0.000 2.268 277 N HA 0.068 4.807 4.740 -0.002 0.000 0.204 277 N C 0.224 175.544 175.510 -0.317 0.000 1.124 277 N CA 0.567 53.488 53.050 -0.214 0.000 0.838 277 N CB 0.875 39.254 38.487 -0.180 0.000 0.994 277 N HN 0.380 nan 8.380 nan 0.000 0.489 278 G N -0.148 108.412 108.800 -0.401 0.000 2.651 278 G HA2 0.308 4.266 3.960 -0.002 0.000 0.260 278 G HA3 0.308 4.266 3.960 -0.002 0.000 0.260 278 G C 0.773 174.929 174.900 -1.240 0.000 1.216 278 G CA -0.172 44.526 45.100 -0.669 0.000 0.913 278 G HN 0.135 nan 8.290 nan 0.000 0.535 279 M N -0.837 118.172 119.600 -0.986 0.000 2.139 279 M HA 0.313 4.791 4.480 -0.002 0.000 0.343 279 M C 0.190 176.246 176.300 -0.407 0.000 0.886 279 M CA 0.120 54.875 55.300 -0.908 0.000 1.134 279 M CB 0.832 32.721 32.600 -1.186 0.000 2.064 279 M HN 0.260 nan 8.290 nan 0.000 0.699 280 L N 1.585 122.731 121.223 -0.127 0.000 2.322 280 L HA 0.816 5.154 4.340 -0.002 0.000 0.281 280 L C -0.028 176.980 176.870 0.230 0.000 1.014 280 L CA -0.105 54.871 54.840 0.227 0.000 0.815 280 L CB 1.374 43.569 42.059 0.226 0.000 1.247 280 L HN 0.384 nan 8.230 nan 0.000 0.421 281 G N 4.524 113.437 108.800 0.188 0.000 2.730 281 G HA2 -0.151 3.807 3.960 -0.002 0.000 0.686 281 G HA3 -0.151 3.807 3.960 -0.002 0.000 0.686 281 G C -2.604 172.334 174.900 0.063 0.000 1.343 281 G CA -0.235 44.901 45.100 0.061 0.000 0.826 281 G HN 0.549 nan 8.290 nan 0.000 0.582 282 P HA 0.104 nan 4.420 nan 0.000 0.235 282 P C 0.735 177.910 177.300 -0.209 0.000 1.177 282 P CA 1.197 64.164 63.100 -0.222 0.000 0.785 282 P CB 0.304 31.877 31.700 -0.212 0.000 0.885 283 D N 0.112 120.463 120.400 -0.082 0.000 2.149 283 D HA -0.149 4.489 4.640 -0.002 0.000 0.201 283 D C 1.952 178.313 176.300 0.101 0.000 0.972 283 D CA 1.037 55.060 54.000 0.039 0.000 0.835 283 D CB -1.149 39.673 40.800 0.036 0.000 0.966 283 D HN 0.369 nan 8.370 nan 0.000 0.476 284 Y N 0.723 121.062 120.300 0.066 0.000 2.465 284 Y HA -0.037 4.511 4.550 -0.003 0.000 0.289 284 Y C 0.574 176.532 175.900 0.097 0.000 1.150 284 Y CA 0.698 58.834 58.100 0.060 0.000 1.293 284 Y CB -0.283 38.183 38.460 0.010 0.000 0.977 284 Y HN -0.075 nan 8.280 nan 0.000 0.556 285 S N -2.901 112.541 115.700 -0.431 0.000 2.656 285 S HA 0.271 4.740 4.470 -0.002 0.000 0.273 285 S C 0.469 174.589 174.600 -0.801 0.000 1.168 285 S CA -0.283 57.739 58.200 -0.296 0.000 0.817 285 S CB 1.184 64.247 63.200 -0.228 0.000 1.146 285 S HN 0.063 nan 8.310 nan 0.000 0.475 286 T N 1.098 115.062 114.554 -0.983 0.000 2.665 286 T HA -0.060 4.288 4.350 -0.002 0.000 0.268 286 T C 0.056 174.127 174.700 -1.047 0.000 1.035 286 T CA 2.106 63.209 62.100 -1.662 0.000 1.151 286 T CB -0.857 67.076 68.868 -1.559 0.000 0.862 286 T HN 0.727 nan 8.240 nan 0.000 0.438 287 K N -0.503 119.610 120.400 -0.479 0.000 3.160 287 K HA -0.154 4.165 4.320 -0.002 0.000 0.280 287 K C 0.772 177.614 176.600 0.404 0.000 1.154 287 K CA 0.609 56.866 56.287 -0.049 0.000 0.822 287 K CB -2.402 30.056 32.500 -0.071 0.000 1.239 287 K HN 0.547 nan 8.250 nan 0.000 0.489 288 F N 0.608 120.677 119.950 0.197 0.000 2.416 288 F HA -0.175 4.351 4.527 -0.002 0.000 0.296 288 F C 2.618 178.613 175.800 0.326 0.000 1.099 288 F CA 0.469 58.665 58.000 0.326 0.000 1.427 288 F CB -0.069 39.006 39.000 0.126 0.000 1.079 288 F HN 0.236 nan 8.300 nan 0.000 0.536 289 S N 1.342 117.255 115.700 0.354 0.000 2.390 289 S HA -0.222 4.246 4.470 -0.002 0.000 0.234 289 S C -0.472 174.153 174.600 0.042 0.000 1.063 289 S CA 1.460 59.766 58.200 0.177 0.000 1.108 289 S CB -2.321 60.956 63.200 0.128 0.000 0.975 289 S HN 0.241 nan 8.310 nan 0.000 0.442 290 P HA -0.101 nan 4.420 nan 0.000 0.217 290 P C 1.266 178.534 177.300 -0.054 0.000 1.150 290 P CA 1.247 64.083 63.100 -0.440 0.000 0.832 290 P CB -0.360 30.576 31.700 -1.272 0.000 0.787 291 W N -0.236 121.212 121.300 0.247 0.000 2.436 291 W HA 0.061 4.720 4.660 -0.003 0.000 0.284 291 W C 2.294 178.931 176.519 0.196 0.000 1.225 291 W CA 0.430 57.957 57.345 0.304 0.000 1.271 291 W CB -1.029 28.563 29.460 0.219 0.000 1.114 291 W HN -0.049 nan 8.180 nan 0.000 0.559 292 L N 0.101 121.527 121.223 0.338 0.000 2.109 292 L HA -0.117 4.222 4.340 -0.002 0.000 0.207 292 L C 2.715 179.639 176.870 0.091 0.000 1.086 292 L CA 1.217 56.170 54.840 0.188 0.000 0.760 292 L CB -0.992 41.167 42.059 0.167 0.000 0.910 292 L HN -0.191 nan 8.230 nan 0.000 0.437 293 A N -0.200 122.652 122.820 0.053 0.000 1.902 293 A HA -0.189 4.129 4.320 -0.002 0.000 0.217 293 A C 1.813 179.296 177.584 -0.169 0.000 1.181 293 A CA 1.526 53.493 52.037 -0.118 0.000 0.623 293 A CB -0.712 18.158 19.000 -0.216 0.000 0.818 293 A HN 0.375 nan 8.150 nan 0.000 0.443 294 F N -0.371 119.617 119.950 0.063 0.000 2.773 294 F HA 0.333 4.859 4.527 -0.003 0.000 0.304 294 F C 1.762 177.601 175.800 0.065 0.000 1.129 294 F CA 0.579 58.630 58.000 0.084 0.000 1.378 294 F CB -0.008 39.084 39.000 0.153 0.000 1.095 294 F HN 0.360 nan 8.300 nan 0.000 0.565 295 G N -0.462 108.438 108.800 0.168 0.000 2.198 295 G HA2 -0.335 3.624 3.960 -0.002 0.000 0.260 295 G HA3 -0.335 3.624 3.960 -0.002 0.000 0.260 295 G C 0.992 175.972 174.900 0.132 0.000 1.025 295 G CA 0.395 45.547 45.100 0.087 0.000 0.769 295 G HN 0.468 nan 8.290 nan 0.000 0.507 296 C N -0.414 119.020 119.300 0.222 0.000 2.446 296 C HA 0.399 4.857 4.460 -0.002 0.000 0.279 296 C C 1.438 176.478 174.990 0.083 0.000 1.366 296 C CA 1.059 60.191 59.018 0.191 0.000 1.763 296 C CB -1.258 26.704 27.740 0.371 0.000 1.929 296 C HN 0.744 nan 8.230 nan 0.000 0.509 297 I N -1.711 118.914 120.570 0.092 0.000 2.969 297 I HA 0.644 4.813 4.170 -0.002 0.000 0.307 297 I C -0.483 175.660 176.117 0.043 0.000 1.149 297 I CA -0.369 60.932 61.300 0.001 0.000 1.008 297 I CB 2.118 40.106 38.000 -0.019 0.000 1.232 297 I HN 0.023 nan 8.210 nan 0.000 0.435 298 S N 2.325 118.060 115.700 0.059 0.000 2.568 298 S HA 0.629 5.098 4.470 -0.002 0.000 0.302 298 S C -2.022 172.650 174.600 0.120 0.000 1.082 298 S CA -1.405 56.836 58.200 0.068 0.000 1.009 298 S CB 1.899 65.126 63.200 0.044 0.000 1.069 298 S HN 0.660 nan 8.310 nan 0.000 0.500 299 P HA -0.112 nan 4.420 nan 0.000 0.218 299 P C 1.066 178.446 177.300 0.133 0.000 1.149 299 P CA 0.982 64.144 63.100 0.104 0.000 0.817 299 P CB 0.084 31.830 31.700 0.076 0.000 0.785 300 R N -1.483 119.100 120.500 0.138 0.000 2.115 300 R HA -0.079 4.259 4.340 -0.002 0.000 0.230 300 R C 2.373 178.813 176.300 0.234 0.000 1.111 300 R CA 1.007 57.220 56.100 0.188 0.000 0.976 300 R CB -0.886 29.513 30.300 0.165 0.000 0.870 300 R HN 0.196 nan 8.270 nan 0.000 0.445 301 F N 1.649 121.615 119.950 0.027 0.000 2.146 301 F HA -0.072 4.454 4.527 -0.002 0.000 0.298 301 F C 1.896 177.705 175.800 0.015 0.000 1.096 301 F CA 1.098 59.058 58.000 -0.067 0.000 1.275 301 F CB -0.219 38.667 39.000 -0.189 0.000 1.008 301 F HN -0.161 nan 8.300 nan 0.000 0.480 302 I N -0.657 119.845 120.570 -0.112 0.000 2.226 302 I HA -0.341 3.828 4.170 -0.002 0.000 0.245 302 I C 2.389 178.554 176.117 0.079 0.000 1.100 302 I CA 1.893 63.115 61.300 -0.129 0.000 1.374 302 I CB -0.825 37.199 38.000 0.039 0.000 1.057 302 I HN 0.266 nan 8.210 nan 0.000 0.413 303 Y N 1.919 122.230 120.300 0.020 0.000 2.165 303 Y HA -0.291 4.258 4.550 -0.003 0.000 0.286 303 Y C 2.483 178.427 175.900 0.074 0.000 1.155 303 Y CA 1.774 59.906 58.100 0.053 0.000 1.164 303 Y CB -0.048 38.429 38.460 0.028 0.000 0.978 303 Y HN 0.171 nan 8.280 nan 0.000 0.513 304 E N -0.183 119.986 120.200 -0.051 0.000 2.110 304 E HA -0.198 4.151 4.350 -0.002 0.000 0.193 304 E C 2.016 178.624 176.600 0.014 0.000 0.988 304 E CA 1.138 57.500 56.400 -0.063 0.000 0.804 304 E CB -0.062 29.748 29.700 0.183 0.000 0.745 304 E HN 0.536 nan 8.360 nan 0.000 0.458 305 E N 0.453 120.658 120.200 0.009 0.000 2.152 305 E HA -0.104 4.244 4.350 -0.002 0.000 0.192 305 E C 2.297 179.061 176.600 0.274 0.000 0.983 305 E CA 0.507 57.044 56.400 0.229 0.000 0.818 305 E CB -0.041 29.742 29.700 0.139 0.000 0.758 305 E HN 0.117 nan 8.360 nan 0.000 0.467 306 V N 1.586 121.582 119.914 0.137 0.000 2.343 306 V HA -0.262 3.856 4.120 -0.002 0.000 0.247 306 V C 2.414 178.494 176.094 -0.022 0.000 1.051 306 V CA 1.695 63.963 62.300 -0.053 0.000 1.036 306 V CB -0.439 31.383 31.823 -0.001 0.000 0.654 306 V HN 0.259 nan 8.190 nan 0.000 0.451 307 Q N -0.516 119.227 119.800 -0.095 0.000 2.119 307 Q HA -0.223 4.115 4.340 -0.002 0.000 0.201 307 Q C 2.473 178.499 176.000 0.044 0.000 0.972 307 Q CA 1.613 57.361 55.803 -0.092 0.000 0.847 307 Q CB -0.213 28.365 28.738 -0.267 0.000 0.903 307 Q HN 0.518 nan 8.270 nan 0.000 0.433 308 R N -0.288 120.297 120.500 0.141 0.000 2.115 308 R HA -0.181 4.158 4.340 -0.002 0.000 0.230 308 R C 2.044 178.581 176.300 0.395 0.000 1.111 308 R CA 1.109 57.367 56.100 0.264 0.000 0.976 308 R CB -0.157 30.355 30.300 0.354 0.000 0.870 308 R HN 0.289 nan 8.270 nan 0.000 0.445 309 Y N 1.182 121.576 120.300 0.156 0.000 2.200 309 Y HA -0.114 4.434 4.550 -0.003 0.000 0.290 309 Y C 1.623 177.457 175.900 -0.111 0.000 1.137 309 Y CA 1.796 59.782 58.100 -0.190 0.000 1.163 309 Y CB 0.155 38.206 38.460 -0.683 0.000 0.988 309 Y HN 0.128 nan 8.280 nan 0.000 0.518 310 E N 0.049 120.304 120.200 0.091 0.000 2.268 310 E HA -0.198 4.150 4.350 -0.002 0.000 0.195 310 E C 1.954 178.547 176.600 -0.012 0.000 0.995 310 E CA 1.017 57.438 56.400 0.035 0.000 0.836 310 E CB -0.021 29.720 29.700 0.069 0.000 0.763 310 E HN 0.436 nan 8.360 nan 0.000 0.491 311 K N 0.905 121.314 120.400 0.016 0.000 2.166 311 K HA -0.070 4.248 4.320 -0.002 0.000 0.201 311 K C 1.527 178.128 176.600 0.001 0.000 1.052 311 K CA 0.893 57.190 56.287 0.016 0.000 0.969 311 K CB 0.331 32.854 32.500 0.040 0.000 0.761 311 K HN -0.008 nan 8.250 nan 0.000 0.459 312 E N -0.605 119.604 120.200 0.016 0.000 2.251 312 E HA 0.028 4.376 4.350 -0.002 0.000 0.194 312 E C 1.729 178.271 176.600 -0.098 0.000 0.964 312 E CA 0.096 56.506 56.400 0.016 0.000 0.868 312 E CB 0.506 30.301 29.700 0.158 0.000 0.828 312 E HN 0.092 nan 8.360 nan 0.000 0.481 313 R N 0.139 120.445 120.500 -0.323 0.000 1.758 313 R HA 0.384 4.723 4.340 -0.002 0.000 0.141 313 R C 0.391 176.473 176.300 -0.364 0.000 2.075 313 R CA 0.104 55.898 56.100 -0.510 0.000 1.687 313 R CB -0.370 29.148 30.300 -1.303 0.000 1.239 313 R HN 0.035 nan 8.270 nan 0.000 0.477 314 V N -0.569 119.088 119.914 -0.429 0.000 3.147 314 V HA 0.724 4.842 4.120 -0.002 0.000 0.306 314 V C -1.842 174.248 176.094 -0.006 0.000 1.209 314 V CA -0.755 61.462 62.300 -0.138 0.000 1.023 314 V CB 2.196 33.978 31.823 -0.068 0.000 1.059 314 V HN 0.607 nan 8.190 nan 0.000 0.435 315 A N 4.404 127.242 122.820 0.030 0.000 2.343 315 A HA 0.934 5.253 4.320 -0.002 0.000 0.308 315 A C -0.562 177.070 177.584 0.081 0.000 1.092 315 A CA -0.150 51.934 52.037 0.078 0.000 0.751 315 A CB 0.788 19.826 19.000 0.064 0.000 1.203 315 A HN 1.218 nan 8.150 nan 0.000 0.452 316 N N 0.571 119.341 118.700 0.117 0.000 3.449 316 N HA 0.195 4.933 4.740 -0.002 0.000 0.312 316 N C -0.135 175.488 175.510 0.188 0.000 1.582 316 N CA -0.885 52.233 53.050 0.114 0.000 0.850 316 N CB 0.310 38.847 38.487 0.084 0.000 1.822 316 N HN 0.210 nan 8.380 nan 0.000 0.577 317 N N -0.038 118.772 118.700 0.184 0.000 2.289 317 N HA -0.027 4.712 4.740 -0.002 0.000 0.184 317 N C 1.245 176.998 175.510 0.405 0.000 1.016 317 N CA 1.198 54.432 53.050 0.306 0.000 0.872 317 N CB -0.079 38.519 38.487 0.185 0.000 0.973 317 N HN 0.348 nan 8.380 nan 0.000 0.433 318 S N -0.702 115.155 115.700 0.262 0.000 2.357 318 S HA -0.101 4.368 4.470 -0.002 0.000 0.221 318 S C 2.128 176.910 174.600 0.304 0.000 1.031 318 S CA 1.512 59.892 58.200 0.302 0.000 0.982 318 S CB -0.579 62.726 63.200 0.175 0.000 0.853 318 S HN 0.652 nan 8.310 nan 0.000 0.458 319 T N -0.305 114.352 114.554 0.173 0.000 2.803 319 T HA -0.189 4.159 4.350 -0.002 0.000 0.269 319 T C 1.694 176.488 174.700 0.156 0.000 1.052 319 T CA 1.442 63.570 62.100 0.046 0.000 1.136 319 T CB -0.666 68.233 68.868 0.052 0.000 0.864 319 T HN 0.508 nan 8.240 nan 0.000 0.467 320 Y N -0.032 120.380 120.300 0.188 0.000 2.286 320 Y HA 0.105 4.653 4.550 -0.003 0.000 0.293 320 Y C 2.370 178.449 175.900 0.297 0.000 1.124 320 Y CA 0.242 58.477 58.100 0.225 0.000 1.178 320 Y CB -0.559 38.039 38.460 0.230 0.000 1.010 320 Y HN 0.233 nan 8.280 nan 0.000 0.536 321 W N 0.483 121.784 121.300 0.002 0.000 2.350 321 W HA -0.205 4.455 4.660 0.000 0.000 0.289 321 W C 1.886 178.475 176.519 0.116 0.000 1.215 321 W CA 1.923 59.294 57.345 0.044 0.000 1.236 321 W CB -0.190 29.450 29.460 0.301 0.000 1.130 321 W HN 0.003 nan 8.180 nan 0.000 0.541 322 V N 0.867 120.815 119.914 0.056 0.000 2.490 322 V HA -0.303 3.816 4.120 -0.002 0.000 0.250 322 V C 2.218 178.290 176.094 -0.036 0.000 1.061 322 V CA 1.407 63.596 62.300 -0.185 0.000 1.064 322 V CB -0.754 30.931 31.823 -0.230 0.000 0.670 322 V HN 0.123 nan 8.190 nan 0.000 0.461 323 L N -1.384 119.800 121.223 -0.065 0.000 2.095 323 L HA -0.097 4.241 4.340 -0.002 0.000 0.204 323 L C 2.359 179.164 176.870 -0.108 0.000 1.080 323 L CA 1.553 56.370 54.840 -0.039 0.000 0.759 323 L CB -0.657 41.408 42.059 0.011 0.000 0.914 323 L HN 0.363 nan 8.230 nan 0.000 0.439 324 F N 1.552 121.178 119.950 -0.540 0.000 2.126 324 F HA -0.260 4.266 4.527 -0.001 0.000 0.299 324 F C 2.417 178.130 175.800 -0.144 0.000 1.096 324 F CA 1.743 59.422 58.000 -0.534 0.000 1.255 324 F CB 0.054 38.345 39.000 -1.182 0.000 0.997 324 F HN -0.010 nan 8.300 nan 0.000 0.479 325 E N 0.541 120.796 120.200 0.092 0.000 2.152 325 E HA -0.092 4.256 4.350 -0.002 0.000 0.192 325 E C 2.146 178.855 176.600 0.181 0.000 0.983 325 E CA 1.065 57.606 56.400 0.235 0.000 0.818 325 E CB -0.407 29.481 29.700 0.313 0.000 0.758 325 E HN 0.509 nan 8.360 nan 0.000 0.467 326 L N -0.094 121.201 121.223 0.120 0.000 2.291 326 L HA -0.022 4.317 4.340 -0.002 0.000 0.214 326 L C 1.970 178.944 176.870 0.173 0.000 1.120 326 L CA 0.476 55.403 54.840 0.145 0.000 0.799 326 L CB -0.177 41.955 42.059 0.122 0.000 0.925 326 L HN 0.172 nan 8.230 nan 0.000 0.446 327 I N -1.869 118.779 120.570 0.131 0.000 2.546 327 I HA -0.234 3.934 4.170 -0.002 0.000 0.255 327 I C 2.068 178.349 176.117 0.274 0.000 1.163 327 I CA 1.204 62.640 61.300 0.227 0.000 1.457 327 I CB -0.170 37.880 38.000 0.083 0.000 1.092 327 I HN 0.338 nan 8.210 nan 0.000 0.434 328 W N 1.272 122.593 121.300 0.035 0.000 2.381 328 W HA -0.156 4.503 4.660 -0.003 0.000 0.301 328 W C 2.872 179.422 176.519 0.052 0.000 1.205 328 W CA 1.081 58.352 57.345 -0.125 0.000 1.285 328 W CB -0.104 29.178 29.460 -0.296 0.000 1.133 328 W HN 0.006 nan 8.180 nan 0.000 0.521 329 R N 0.493 121.205 120.500 0.354 0.000 2.081 329 R HA -0.169 4.170 4.340 -0.002 0.000 0.235 329 R C 1.588 177.997 176.300 0.182 0.000 1.131 329 R CA 2.203 58.467 56.100 0.274 0.000 0.960 329 R CB -0.515 29.894 30.300 0.180 0.000 0.856 329 R HN 0.011 nan 8.270 nan 0.000 0.436 330 D N -0.555 119.966 120.400 0.201 0.000 2.117 330 D HA -0.194 4.445 4.640 -0.002 0.000 0.197 330 D C 1.527 177.868 176.300 0.067 0.000 0.987 330 D CA 1.216 55.308 54.000 0.153 0.000 0.829 330 D CB -0.311 40.785 40.800 0.494 0.000 0.961 330 D HN 0.319 nan 8.370 nan 0.000 0.460 331 Y N -0.305 119.962 120.300 -0.055 0.000 2.165 331 Y HA -0.279 4.270 4.550 -0.002 0.000 0.286 331 Y C 1.860 177.562 175.900 -0.330 0.000 1.155 331 Y CA 1.370 59.171 58.100 -0.498 0.000 1.164 331 Y CB -0.176 37.893 38.460 -0.652 0.000 0.978 331 Y HN -0.104 nan 8.280 nan 0.000 0.513 332 F N 0.013 119.904 119.950 -0.098 0.000 2.234 332 F HA -0.123 4.402 4.527 -0.003 0.000 0.299 332 F C 2.395 178.090 175.800 -0.175 0.000 1.087 332 F CA 0.994 58.898 58.000 -0.160 0.000 1.340 332 F CB -0.512 38.473 39.000 -0.026 0.000 1.031 332 F HN -0.048 nan 8.300 nan 0.000 0.500 333 R N -0.368 120.106 120.500 -0.044 0.000 2.070 333 R HA -0.140 4.199 4.340 -0.002 0.000 0.233 333 R C 2.193 178.432 176.300 -0.101 0.000 1.137 333 R CA 1.458 57.476 56.100 -0.136 0.000 0.945 333 R CB -1.185 28.926 30.300 -0.314 0.000 0.845 333 R HN 0.236 nan 8.270 nan 0.000 0.430 334 F N 0.850 120.822 119.950 0.037 0.000 2.234 334 F HA -0.130 4.395 4.527 -0.003 0.000 0.299 334 F C 2.343 178.077 175.800 -0.110 0.000 1.087 334 F CA 0.456 58.456 58.000 -0.000 0.000 1.340 334 F CB -0.741 38.237 39.000 -0.036 0.000 1.031 334 F HN 0.004 nan 8.300 nan 0.000 0.500 335 L N 0.370 121.520 121.223 -0.122 0.000 2.131 335 L HA -0.168 4.170 4.340 -0.002 0.000 0.210 335 L C 2.453 179.299 176.870 -0.041 0.000 1.092 335 L CA 2.200 56.925 54.840 -0.193 0.000 0.759 335 L CB -1.161 40.674 42.059 -0.373 0.000 0.903 335 L HN 0.343 nan 8.230 nan 0.000 0.435 336 S N -0.664 115.038 115.700 0.002 0.000 2.419 336 S HA -0.145 4.323 4.470 -0.002 0.000 0.233 336 S C 1.970 176.597 174.600 0.045 0.000 1.016 336 S CA 1.085 59.285 58.200 -0.000 0.000 0.974 336 S CB -0.539 62.672 63.200 0.018 0.000 0.786 336 S HN 0.521 nan 8.310 nan 0.000 0.492 337 I N 1.399 122.036 120.570 0.112 0.000 2.277 337 I HA -0.032 4.137 4.170 -0.002 0.000 0.243 337 I C 2.761 178.979 176.117 0.169 0.000 1.094 337 I CA 1.210 62.615 61.300 0.174 0.000 1.393 337 I CB -0.246 37.903 38.000 0.249 0.000 1.078 337 I HN 0.297 nan 8.210 nan 0.000 0.417 338 K N 0.535 121.010 120.400 0.124 0.000 2.148 338 K HA -0.150 4.169 4.320 -0.002 0.000 0.204 338 K C 2.059 178.633 176.600 -0.044 0.000 1.050 338 K CA 1.438 57.757 56.287 0.054 0.000 0.942 338 K CB 0.017 32.527 32.500 0.016 0.000 0.724 338 K HN 0.358 nan 8.250 nan 0.000 0.446 339 C N 0.143 119.423 119.300 -0.034 0.000 2.551 339 C HA 0.266 4.725 4.460 -0.002 0.000 0.277 339 C C 1.435 176.387 174.990 -0.063 0.000 1.349 339 C CA 0.156 59.137 59.018 -0.062 0.000 1.750 339 C CB -0.814 26.881 27.740 -0.075 0.000 2.058 339 C HN 0.840 nan 8.230 nan 0.000 0.518 340 G N 1.634 110.413 108.800 -0.035 0.000 2.574 340 G HA2 -0.364 3.594 3.960 -0.002 0.000 0.282 340 G HA3 -0.364 3.594 3.960 -0.002 0.000 0.282 340 G C 0.377 175.225 174.900 -0.086 0.000 1.257 340 G CA 0.680 45.776 45.100 -0.008 0.000 0.956 340 G HN 0.536 nan 8.290 nan 0.000 0.560 341 N N 1.250 119.933 118.700 -0.028 0.000 2.573 341 N HA 0.070 4.809 4.740 -0.002 0.000 0.187 341 N C 2.358 177.589 175.510 -0.465 0.000 1.107 341 N CA 1.148 54.142 53.050 -0.092 0.000 0.918 341 N CB -0.028 38.460 38.487 0.001 0.000 0.966 341 N HN 0.693 nan 8.380 nan 0.000 0.448 342 S N 0.288 115.849 115.700 -0.233 0.000 2.507 342 S HA -0.051 4.417 4.470 -0.002 0.000 0.235 342 S C 1.670 176.176 174.600 -0.157 0.000 0.988 342 S CA 0.321 58.465 58.200 -0.093 0.000 0.944 342 S CB -0.132 63.099 63.200 0.052 0.000 0.762 342 S HN 0.203 nan 8.310 nan 0.000 0.526 343 L N 0.228 121.233 121.223 -0.363 0.000 2.291 343 L HA 0.348 4.686 4.340 -0.002 0.000 0.214 343 L C 1.329 177.984 176.870 -0.359 0.000 1.120 343 L CA 1.367 55.954 54.840 -0.422 0.000 0.799 343 L CB -0.573 41.051 42.059 -0.725 0.000 0.925 343 L HN 0.409 nan 8.230 nan 0.000 0.446 344 F N -2.803 117.076 119.950 -0.118 0.000 2.731 344 F HA 0.188 4.713 4.527 -0.003 0.000 0.298 344 F C 0.934 176.688 175.800 -0.076 0.000 1.106 344 F CA -0.683 57.229 58.000 -0.146 0.000 1.329 344 F CB -0.176 38.579 39.000 -0.408 0.000 1.100 344 F HN -0.060 nan 8.300 nan 0.000 0.592 345 H N 1.324 120.510 119.070 0.192 0.000 2.690 345 H HA 0.041 4.595 4.556 -0.002 0.000 0.365 345 H C 1.285 176.636 175.328 0.039 0.000 1.142 345 H CA -0.433 55.644 56.048 0.047 0.000 1.417 345 H CB 1.095 30.894 29.762 0.061 0.000 1.446 345 H HN 0.050 nan 8.280 nan 0.000 0.599 346 L N 2.612 123.783 121.223 -0.086 0.000 2.043 346 L HA -0.088 4.251 4.340 -0.002 0.000 0.212 346 L C 2.194 179.141 176.870 0.128 0.000 1.075 346 L CA 2.275 56.977 54.840 -0.231 0.000 0.752 346 L CB -0.964 40.836 42.059 -0.431 0.000 0.891 346 L HN 0.829 nan 8.230 nan 0.000 0.432 347 G N -1.595 107.289 108.800 0.140 0.000 2.598 347 G HA2 0.311 4.270 3.960 -0.002 0.000 0.215 347 G HA3 0.311 4.270 3.960 -0.002 0.000 0.215 347 G C 0.937 175.960 174.900 0.204 0.000 1.131 347 G CA 0.510 45.719 45.100 0.181 0.000 0.785 347 G HN 0.928 nan 8.290 nan 0.000 0.539 348 G N 0.349 109.308 108.800 0.266 0.000 2.804 348 G HA2 -0.196 3.762 3.960 -0.002 0.000 0.230 348 G HA3 -0.196 3.762 3.960 -0.002 0.000 0.230 348 G C -0.812 174.154 174.900 0.111 0.000 1.386 348 G CA -0.015 45.195 45.100 0.184 0.000 0.875 348 G HN 0.146 nan 8.290 nan 0.000 0.557 349 P HA -0.097 nan 4.420 nan 0.000 0.221 349 P C 1.380 178.697 177.300 0.029 0.000 1.145 349 P CA 1.500 64.616 63.100 0.027 0.000 0.795 349 P CB 0.066 31.768 31.700 0.003 0.000 0.775 350 R N -0.496 120.024 120.500 0.034 0.000 2.334 350 R HA 0.067 4.405 4.340 -0.002 0.000 0.216 350 R C 0.377 176.708 176.300 0.051 0.000 0.905 350 R CA -0.009 56.109 56.100 0.030 0.000 1.064 350 R CB -0.617 29.695 30.300 0.021 0.000 1.046 350 R HN -0.088 nan 8.270 nan 0.000 0.508 351 N N 0.281 119.026 118.700 0.076 0.000 2.705 351 N HA -0.164 4.575 4.740 -0.002 0.000 0.255 351 N C -1.253 174.311 175.510 0.090 0.000 1.008 351 N CA 0.483 53.584 53.050 0.086 0.000 0.742 351 N CB -0.926 37.597 38.487 0.059 0.000 0.906 351 N HN -0.016 nan 8.380 nan 0.000 0.541 352 V N 1.119 121.105 119.914 0.120 0.000 2.655 352 V HA 0.058 4.176 4.120 -0.002 0.000 0.300 352 V C 0.981 177.175 176.094 0.167 0.000 1.044 352 V CA 0.052 62.434 62.300 0.138 0.000 1.095 352 V CB 1.239 33.169 31.823 0.179 0.000 0.952 352 V HN 0.314 nan 8.190 nan 0.000 0.485 353 Q N 2.337 122.215 119.800 0.130 0.000 2.256 353 Q HA 0.752 5.091 4.340 -0.002 0.000 0.232 353 Q C 0.409 176.508 176.000 0.166 0.000 0.965 353 Q CA 0.339 56.219 55.803 0.129 0.000 0.908 353 Q CB 1.763 30.546 28.738 0.075 0.000 1.209 353 Q HN 1.131 nan 8.270 nan 0.000 0.489 354 G N 0.535 109.440 108.800 0.175 0.000 2.339 354 G HA2 0.136 4.095 3.960 -0.002 0.000 0.381 354 G HA3 0.136 4.095 3.960 -0.002 0.000 0.381 354 G C -1.703 173.356 174.900 0.266 0.000 1.400 354 G CA -0.910 44.286 45.100 0.160 0.000 1.002 354 G HN 0.385 nan 8.290 nan 0.000 0.633 355 K N -0.790 119.710 120.400 0.166 0.000 2.207 355 K HA 0.856 5.174 4.320 -0.002 0.000 0.255 355 K C -1.379 175.363 176.600 0.236 0.000 0.941 355 K CA -0.745 55.692 56.287 0.251 0.000 0.825 355 K CB 1.024 33.591 32.500 0.112 0.000 1.119 355 K HN 0.529 nan 8.250 nan 0.000 0.430 356 W N 0.912 122.212 121.300 0.001 0.000 2.864 356 W HA 0.487 5.145 4.660 -0.003 0.000 0.343 356 W C -0.143 176.365 176.519 -0.019 0.000 1.109 356 W CA -0.819 56.524 57.345 -0.003 0.000 1.192 356 W CB 1.467 30.926 29.460 -0.002 0.000 1.426 356 W HN 0.466 nan 8.180 nan 0.000 0.529 357 S N 0.600 116.418 115.700 0.197 0.000 2.586 357 S HA 0.307 4.776 4.470 -0.002 0.000 0.274 357 S C 0.080 174.723 174.600 0.070 0.000 1.281 357 S CA -0.224 58.038 58.200 0.103 0.000 1.035 357 S CB 0.822 64.058 63.200 0.059 0.000 0.962 357 S HN 0.573 nan 8.310 nan 0.000 0.512 358 Q N 1.499 121.326 119.800 0.045 0.000 2.141 358 Q HA 0.150 4.489 4.340 -0.002 0.000 0.248 358 Q C -1.018 174.996 176.000 0.023 0.000 0.834 358 Q CA -0.378 55.427 55.803 0.003 0.000 1.096 358 Q CB 0.417 29.197 28.738 0.070 0.000 1.189 358 Q HN 0.704 nan 8.270 nan 0.000 0.471 359 D N 1.379 121.804 120.400 0.043 0.000 2.518 359 D HA -0.110 4.529 4.640 -0.002 0.000 0.270 359 D C 0.689 177.047 176.300 0.096 0.000 1.338 359 D CA 0.700 54.738 54.000 0.062 0.000 0.983 359 D CB 0.894 41.729 40.800 0.058 0.000 1.126 359 D HN 0.132 nan 8.370 nan 0.000 0.543 360 Q N 3.445 123.305 119.800 0.101 0.000 2.112 360 Q HA -0.200 4.139 4.340 -0.002 0.000 0.206 360 Q C 1.902 177.992 176.000 0.150 0.000 0.987 360 Q CA 1.592 57.483 55.803 0.147 0.000 0.858 360 Q CB -0.161 28.649 28.738 0.120 0.000 0.905 360 Q HN 0.527 nan 8.270 nan 0.000 0.420 361 K N 0.303 120.762 120.400 0.099 0.000 2.026 361 K HA -0.132 4.187 4.320 -0.002 0.000 0.208 361 K C 1.927 178.576 176.600 0.083 0.000 1.048 361 K CA 1.070 57.402 56.287 0.075 0.000 0.929 361 K CB -0.176 32.358 32.500 0.056 0.000 0.713 361 K HN 0.176 nan 8.250 nan 0.000 0.439 362 L N 0.078 121.361 121.223 0.101 0.000 2.017 362 L HA -0.192 4.146 4.340 -0.002 0.000 0.208 362 L C 2.464 179.422 176.870 0.146 0.000 1.073 362 L CA 1.318 56.226 54.840 0.114 0.000 0.745 362 L CB -0.516 41.601 42.059 0.095 0.000 0.894 362 L HN 0.235 nan 8.230 nan 0.000 0.432 363 F N 1.058 121.022 119.950 0.024 0.000 2.161 363 F HA -0.241 4.285 4.527 -0.002 0.000 0.300 363 F C 2.404 178.237 175.800 0.055 0.000 1.089 363 F CA 1.725 59.738 58.000 0.023 0.000 1.282 363 F CB -0.206 38.761 39.000 -0.055 0.000 1.010 363 F HN 0.074 nan 8.300 nan 0.000 0.485 364 E N -0.256 119.874 120.200 -0.118 0.000 2.110 364 E HA -0.203 4.146 4.350 -0.002 0.000 0.193 364 E C 2.385 178.856 176.600 -0.216 0.000 0.988 364 E CA 1.479 57.730 56.400 -0.247 0.000 0.804 364 E CB -0.191 29.466 29.700 -0.073 0.000 0.745 364 E HN 0.546 nan 8.360 nan 0.000 0.458 365 S N -0.215 115.445 115.700 -0.066 0.000 2.402 365 S HA -0.180 4.289 4.470 -0.002 0.000 0.229 365 S C 1.700 176.314 174.600 0.023 0.000 1.021 365 S CA 0.661 58.855 58.200 -0.010 0.000 0.974 365 S CB -0.518 62.724 63.200 0.070 0.000 0.800 365 S HN 0.493 nan 8.310 nan 0.000 0.484 366 W N 2.857 124.055 121.300 -0.171 0.000 2.380 366 W HA 0.068 4.726 4.660 -0.002 0.000 0.317 366 W C 2.721 179.067 176.519 -0.288 0.000 1.196 366 W CA 1.423 58.694 57.345 -0.125 0.000 1.307 366 W CB -0.474 28.942 29.460 -0.074 0.000 1.157 366 W HN 0.240 nan 8.180 nan 0.000 0.483 367 R N 0.237 120.433 120.500 -0.507 0.000 2.105 367 R HA -0.171 4.168 4.340 -0.002 0.000 0.239 367 R C 1.067 177.042 176.300 -0.541 0.000 1.135 367 R CA 2.122 57.685 56.100 -0.896 0.000 0.967 367 R CB -0.703 28.675 30.300 -1.537 0.000 0.861 367 R HN 0.063 nan 8.270 nan 0.000 0.442 368 D N -0.065 120.106 120.400 -0.380 0.000 2.328 368 D HA 0.119 4.757 4.640 -0.002 0.000 0.226 368 D C 0.198 176.404 176.300 -0.156 0.000 1.066 368 D CA 0.877 54.743 54.000 -0.224 0.000 0.861 368 D CB 0.688 41.384 40.800 -0.173 0.000 0.912 368 D HN 0.369 nan 8.370 nan 0.000 0.521 369 A N 1.037 123.746 122.820 -0.185 0.000 2.739 369 A HA -0.274 4.045 4.320 -0.002 0.000 0.296 369 A C 0.561 178.116 177.584 -0.048 0.000 1.488 369 A CA 0.810 52.774 52.037 -0.121 0.000 0.746 369 A CB -2.141 16.796 19.000 -0.105 0.000 1.047 369 A HN 0.336 nan 8.150 nan 0.000 0.477 370 K N -0.505 119.867 120.400 -0.047 0.000 3.239 370 K HA 0.194 4.513 4.320 -0.002 0.000 0.204 370 K C 1.228 177.825 176.600 -0.005 0.000 1.126 370 K CA 0.454 56.706 56.287 -0.058 0.000 0.948 370 K CB 0.325 32.777 32.500 -0.081 0.000 0.818 370 K HN 0.718 nan 8.250 nan 0.000 0.480 371 T N -3.246 111.354 114.554 0.077 0.000 3.067 371 T HA 0.107 4.456 4.350 -0.002 0.000 0.257 371 T C 1.499 176.265 174.700 0.109 0.000 1.105 371 T CA 0.855 63.077 62.100 0.204 0.000 1.104 371 T CB 0.210 69.297 68.868 0.365 0.000 0.925 371 T HN 0.424 nan 8.240 nan 0.000 0.498 372 G N 0.426 109.232 108.800 0.010 0.000 2.175 372 G HA2 -0.215 3.744 3.960 -0.002 0.000 0.244 372 G HA3 -0.215 3.744 3.960 -0.002 0.000 0.244 372 G C -0.188 174.658 174.900 -0.091 0.000 0.982 372 G CA -0.043 44.992 45.100 -0.108 0.000 0.641 372 G HN 0.627 nan 8.290 nan 0.000 0.527 373 Y N 0.323 120.739 120.300 0.192 0.000 2.402 373 Y HA 0.452 5.001 4.550 -0.003 0.000 0.332 373 Y C -1.060 174.850 175.900 0.015 0.000 0.960 373 Y CA -1.968 56.171 58.100 0.065 0.000 1.228 373 Y CB 1.873 40.267 38.460 -0.110 0.000 1.120 373 Y HN -0.033 nan 8.280 nan 0.000 0.491 374 P HA -0.286 nan 4.420 nan 0.000 0.217 374 P C 1.794 179.099 177.300 0.007 0.000 1.158 374 P CA 1.296 64.327 63.100 -0.114 0.000 0.887 374 P CB 0.327 31.901 31.700 -0.210 0.000 0.792 375 L N -1.223 120.042 121.223 0.070 0.000 2.042 375 L HA -0.167 4.172 4.340 -0.002 0.000 0.210 375 L C 2.029 178.925 176.870 0.042 0.000 1.076 375 L CA 2.009 56.911 54.840 0.104 0.000 0.749 375 L CB -1.193 40.926 42.059 0.100 0.000 0.893 375 L HN -0.114 nan 8.230 nan 0.000 0.432 376 I N -0.401 120.138 120.570 -0.051 0.000 2.193 376 I HA -0.197 3.972 4.170 -0.002 0.000 0.240 376 I C 2.180 178.232 176.117 -0.108 0.000 1.084 376 I CA 1.160 62.371 61.300 -0.149 0.000 1.365 376 I CB -1.553 36.188 38.000 -0.430 0.000 1.064 376 I HN 0.267 nan 8.210 nan 0.000 0.410 377 D N 1.287 121.660 120.400 -0.045 0.000 2.144 377 D HA -0.115 4.524 4.640 -0.002 0.000 0.199 377 D C 2.269 178.524 176.300 -0.075 0.000 0.984 377 D CA 1.509 55.487 54.000 -0.037 0.000 0.834 377 D CB -0.104 40.761 40.800 0.107 0.000 0.955 377 D HN 0.286 nan 8.370 nan 0.000 0.465 378 A N 1.348 124.138 122.820 -0.049 0.000 1.883 378 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 378 A C 2.059 179.504 177.584 -0.231 0.000 1.186 378 A CA 1.446 53.415 52.037 -0.114 0.000 0.624 378 A CB -0.560 18.364 19.000 -0.128 0.000 0.822 378 A HN 0.158 nan 8.150 nan 0.000 0.444 379 N N -0.637 118.036 118.700 -0.046 0.000 2.120 379 N HA -0.124 4.615 4.740 -0.002 0.000 0.188 379 N C 1.695 177.043 175.510 -0.271 0.000 1.024 379 N CA 1.689 54.684 53.050 -0.091 0.000 0.852 379 N CB -0.299 38.167 38.487 -0.034 0.000 1.003 379 N HN 0.336 nan 8.380 nan 0.000 0.424 380 M N 1.126 120.554 119.600 -0.287 0.000 2.229 380 M HA -0.070 4.409 4.480 -0.002 0.000 0.264 380 M C 2.038 178.154 176.300 -0.308 0.000 1.063 380 M CA 1.039 56.128 55.300 -0.352 0.000 1.114 380 M CB -0.883 31.434 32.600 -0.472 0.000 1.387 380 M HN 0.086 nan 8.290 nan 0.000 0.420 381 K N 0.376 120.581 120.400 -0.324 0.000 2.057 381 K HA -0.167 4.152 4.320 -0.002 0.000 0.206 381 K C 1.998 178.238 176.600 -0.600 0.000 1.050 381 K CA 1.276 57.372 56.287 -0.318 0.000 0.935 381 K CB 0.024 32.414 32.500 -0.185 0.000 0.715 381 K HN 0.327 nan 8.250 nan 0.000 0.439 382 E N 0.519 120.094 120.200 -1.040 0.000 2.058 382 E HA -0.233 4.115 4.350 -0.002 0.000 0.194 382 E C 2.062 178.358 176.600 -0.506 0.000 0.997 382 E CA 1.184 56.809 56.400 -1.293 0.000 0.801 382 E CB -0.081 29.016 29.700 -1.005 0.000 0.746 382 E HN 0.222 nan 8.360 nan 0.000 0.450 383 L N 1.061 122.047 121.223 -0.395 0.000 1.990 383 L HA -0.216 4.123 4.340 -0.002 0.000 0.213 383 L C 2.460 179.182 176.870 -0.246 0.000 1.072 383 L CA 2.656 57.302 54.840 -0.323 0.000 0.755 383 L CB -0.757 41.068 42.059 -0.390 0.000 0.889 383 L HN 0.221 nan 8.230 nan 0.000 0.432 384 S N -3.400 112.194 115.700 -0.177 0.000 2.489 384 S HA -0.079 4.390 4.470 -0.002 0.000 0.228 384 S C 1.645 176.218 174.600 -0.045 0.000 0.995 384 S CA 1.054 59.205 58.200 -0.081 0.000 0.934 384 S CB -0.710 62.526 63.200 0.060 0.000 0.771 384 S HN 0.537 nan 8.310 nan 0.000 0.522 385 T N 1.754 116.275 114.554 -0.055 0.000 3.031 385 T HA 0.068 4.416 4.350 -0.002 0.000 0.254 385 T C 1.974 176.738 174.700 0.106 0.000 1.060 385 T CA 1.436 63.571 62.100 0.058 0.000 1.135 385 T CB -0.098 68.875 68.868 0.175 0.000 0.896 385 T HN 0.800 nan 8.240 nan 0.000 0.472 386 T N -2.096 112.506 114.554 0.079 0.000 2.955 386 T HA 0.447 4.795 4.350 -0.002 0.000 0.251 386 T C 1.723 176.479 174.700 0.093 0.000 1.002 386 T CA 0.816 63.014 62.100 0.163 0.000 0.970 386 T CB 0.283 69.332 68.868 0.302 0.000 1.091 386 T HN 0.437 nan 8.240 nan 0.000 0.495 387 G N 1.163 109.945 108.800 -0.029 0.000 2.136 387 G HA2 -0.156 3.802 3.960 -0.002 0.000 0.242 387 G HA3 -0.156 3.802 3.960 -0.002 0.000 0.242 387 G C -0.227 174.603 174.900 -0.118 0.000 0.989 387 G CA 0.216 45.240 45.100 -0.126 0.000 0.682 387 G HN 0.785 nan 8.290 nan 0.000 0.522 388 F N -0.316 119.517 119.950 -0.194 0.000 2.613 388 F HA 0.847 5.372 4.527 -0.003 0.000 0.310 388 F C -0.574 175.139 175.800 -0.146 0.000 1.085 388 F CA -1.257 56.637 58.000 -0.177 0.000 0.945 388 F CB 1.859 40.846 39.000 -0.022 0.000 1.298 388 F HN 0.157 nan 8.300 nan 0.000 0.455 389 M N 4.134 123.170 119.600 -0.941 0.000 2.365 389 M HA 0.367 4.845 4.480 -0.002 0.000 0.287 389 M C -1.100 174.784 176.300 -0.692 0.000 1.154 389 M CA -0.597 54.379 55.300 -0.540 0.000 0.941 389 M CB 2.125 34.431 32.600 -0.490 0.000 1.704 389 M HN 0.789 nan 8.290 nan 0.000 0.479 390 S N 2.267 117.867 115.700 -0.167 0.000 2.566 390 S HA 0.044 4.512 4.470 -0.002 0.000 0.280 390 S C 0.545 175.029 174.600 -0.193 0.000 1.343 390 S CA 0.350 58.541 58.200 -0.015 0.000 1.036 390 S CB 0.720 63.862 63.200 -0.096 0.000 0.866 390 S HN 0.913 nan 8.310 nan 0.000 0.526 391 N N 1.518 120.153 118.700 -0.108 0.000 2.104 391 N HA -0.206 4.533 4.740 -0.002 0.000 0.190 391 N C 1.855 177.228 175.510 -0.229 0.000 1.024 391 N CA 1.606 54.556 53.050 -0.166 0.000 0.853 391 N CB -0.327 38.107 38.487 -0.089 0.000 1.008 391 N HN 0.698 nan 8.380 nan 0.000 0.424 392 R N 0.024 120.369 120.500 -0.258 0.000 2.091 392 R HA 0.019 4.358 4.340 -0.002 0.000 0.238 392 R C 2.138 178.244 176.300 -0.323 0.000 1.136 392 R CA 2.053 57.941 56.100 -0.354 0.000 0.959 392 R CB -1.312 28.677 30.300 -0.517 0.000 0.856 392 R HN 0.339 nan 8.270 nan 0.000 0.437 393 G N 0.059 108.685 108.800 -0.290 0.000 2.408 393 G HA2 -0.227 3.731 3.960 -0.002 0.000 0.217 393 G HA3 -0.227 3.731 3.960 -0.002 0.000 0.217 393 G C 1.386 176.178 174.900 -0.180 0.000 1.150 393 G CA 0.660 45.625 45.100 -0.225 0.000 0.776 393 G HN 0.356 nan 8.290 nan 0.000 0.542 394 R N 0.014 120.403 120.500 -0.186 0.000 2.081 394 R HA -0.058 4.280 4.340 -0.002 0.000 0.235 394 R C 2.757 178.879 176.300 -0.296 0.000 1.131 394 R CA 1.392 57.439 56.100 -0.088 0.000 0.960 394 R CB -0.363 29.895 30.300 -0.069 0.000 0.856 394 R HN 0.437 nan 8.270 nan 0.000 0.436 395 Q N 0.441 119.987 119.800 -0.424 0.000 2.084 395 Q HA -0.129 4.209 4.340 -0.002 0.000 0.202 395 Q C 2.211 177.675 176.000 -0.893 0.000 0.978 395 Q CA 1.320 56.706 55.803 -0.696 0.000 0.844 395 Q CB -0.094 28.226 28.738 -0.698 0.000 0.898 395 Q HN 0.395 nan 8.270 nan 0.000 0.426 396 I N 0.396 120.602 120.570 -0.606 0.000 2.202 396 I HA -0.224 3.945 4.170 -0.002 0.000 0.242 396 I C 2.407 178.438 176.117 -0.143 0.000 1.091 396 I CA 1.073 62.137 61.300 -0.393 0.000 1.368 396 I CB -0.484 37.415 38.000 -0.168 0.000 1.058 396 I HN 0.137 nan 8.210 nan 0.000 0.410 397 V N -1.564 118.347 119.914 -0.006 0.000 2.626 397 V HA -0.245 3.874 4.120 -0.002 0.000 0.252 397 V C 2.454 178.754 176.094 0.343 0.000 1.067 397 V CA 1.582 64.081 62.300 0.332 0.000 1.081 397 V CB -1.220 30.881 31.823 0.463 0.000 0.686 397 V HN 0.666 nan 8.190 nan 0.000 0.468 398 C N 0.510 119.743 119.300 -0.111 0.000 2.476 398 C HA -0.081 4.377 4.460 -0.002 0.000 0.278 398 C C 3.165 178.086 174.990 -0.116 0.000 1.274 398 C CA 1.569 60.354 59.018 -0.389 0.000 1.713 398 C CB -0.662 26.494 27.740 -0.974 0.000 2.039 398 C HN 0.725 nan 8.230 nan 0.000 0.484 399 S N -0.689 114.900 115.700 -0.184 0.000 2.370 399 S HA -0.197 4.271 4.470 -0.002 0.000 0.226 399 S C 1.723 176.345 174.600 0.036 0.000 1.033 399 S CA 1.869 60.030 58.200 -0.064 0.000 1.011 399 S CB -0.774 62.358 63.200 -0.112 0.000 0.852 399 S HN 0.699 nan 8.310 nan 0.000 0.457 400 F N 1.789 121.707 119.950 -0.054 0.000 2.102 400 F HA 0.020 4.545 4.527 -0.002 0.000 0.298 400 F C 2.002 177.812 175.800 0.018 0.000 1.105 400 F CA 1.705 59.705 58.000 0.001 0.000 1.239 400 F CB -0.509 38.534 39.000 0.073 0.000 0.991 400 F HN 0.287 nan 8.300 nan 0.000 0.474 401 L N -0.747 120.510 121.223 0.057 0.000 2.093 401 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 401 L C 2.000 178.821 176.870 -0.082 0.000 1.085 401 L CA 1.259 55.976 54.840 -0.205 0.000 0.755 401 L CB -0.362 41.388 42.059 -0.516 0.000 0.904 401 L HN 0.049 nan 8.230 nan 0.000 0.435 402 V N -0.216 119.738 119.914 0.067 0.000 2.302 402 V HA -0.108 4.010 4.120 -0.002 0.000 0.243 402 V C 2.714 178.830 176.094 0.036 0.000 1.036 402 V CA 1.382 63.786 62.300 0.172 0.000 1.020 402 V CB -0.606 31.402 31.823 0.309 0.000 0.657 402 V HN 0.404 nan 8.190 nan 0.000 0.453 403 R N 0.405 120.914 120.500 0.015 0.000 2.062 403 R HA -0.013 4.326 4.340 -0.002 0.000 0.226 403 R C 1.897 178.145 176.300 -0.087 0.000 1.125 403 R CA 1.414 57.507 56.100 -0.011 0.000 0.966 403 R CB -1.001 29.311 30.300 0.020 0.000 0.861 403 R HN 0.542 nan 8.270 nan 0.000 0.433 404 D N 0.398 120.675 120.400 -0.205 0.000 2.137 404 D HA -0.004 4.634 4.640 -0.002 0.000 0.202 404 D C 1.862 177.940 176.300 -0.370 0.000 0.970 404 D CA 0.998 54.786 54.000 -0.354 0.000 0.837 404 D CB 0.103 40.449 40.800 -0.757 0.000 0.981 404 D HN 0.173 nan 8.370 nan 0.000 0.475 405 M N -0.304 119.041 119.600 -0.426 0.000 2.509 405 M HA 0.152 4.631 4.480 -0.002 0.000 0.250 405 M C 1.043 177.275 176.300 -0.114 0.000 1.132 405 M CA 0.316 55.468 55.300 -0.246 0.000 1.080 405 M CB 0.732 33.192 32.600 -0.233 0.000 1.408 405 M HN -0.016 nan 8.290 nan 0.000 0.484 406 G N 2.515 111.254 108.800 -0.101 0.000 2.283 406 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.280 406 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.280 406 G C -0.098 174.824 174.900 0.037 0.000 1.029 406 G CA 0.098 45.163 45.100 -0.059 0.000 0.840 406 G HN 0.394 nan 8.290 nan 0.000 0.505 407 L N -0.274 120.994 121.223 0.076 0.000 2.399 407 L HA 0.372 4.711 4.340 -0.002 0.000 0.265 407 L C 0.820 177.872 176.870 0.302 0.000 1.089 407 L CA -1.049 53.856 54.840 0.109 0.000 0.802 407 L CB 0.757 42.802 42.059 -0.025 0.000 1.180 407 L HN 0.136 nan 8.230 nan 0.000 0.454 408 D N 2.152 122.635 120.400 0.138 0.000 2.426 408 D HA -0.131 4.508 4.640 -0.002 0.000 0.261 408 D C 1.085 177.207 176.300 -0.297 0.000 1.245 408 D CA -0.034 53.903 54.000 -0.104 0.000 0.917 408 D CB 0.619 41.258 40.800 -0.269 0.000 1.123 408 D HN 0.526 nan 8.370 nan 0.000 0.508 409 W N 5.270 126.382 121.300 -0.314 0.000 2.341 409 W HA -0.195 4.464 4.660 -0.002 0.000 0.283 409 W C 1.047 177.238 176.519 -0.547 0.000 1.215 409 W CA 0.034 57.218 57.345 -0.267 0.000 1.211 409 W CB -0.690 28.741 29.460 -0.048 0.000 1.131 409 W HN 0.392 nan 8.180 nan 0.000 0.552 410 R N 0.353 120.126 120.500 -1.213 0.000 2.189 410 R HA -0.048 4.290 4.340 -0.002 0.000 0.223 410 R C 2.435 178.361 176.300 -0.624 0.000 1.092 410 R CA 1.713 57.205 56.100 -1.014 0.000 0.989 410 R CB -0.417 29.317 30.300 -0.942 0.000 0.876 410 R HN 0.257 nan 8.270 nan 0.000 0.457 411 M N -0.602 118.463 119.600 -0.891 0.000 2.175 411 M HA -0.052 4.427 4.480 -0.002 0.000 0.264 411 M C 2.333 178.385 176.300 -0.414 0.000 1.063 411 M CA 1.756 56.401 55.300 -1.093 0.000 1.119 411 M CB -0.291 31.436 32.600 -1.455 0.000 1.377 411 M HN 0.321 nan 8.290 nan 0.000 0.415 412 G N -0.158 108.300 108.800 -0.571 0.000 2.394 412 G HA2 -0.058 3.900 3.960 -0.002 0.000 0.215 412 G HA3 -0.058 3.900 3.960 -0.002 0.000 0.215 412 G C 1.634 176.062 174.900 -0.786 0.000 1.165 412 G CA 0.841 45.627 45.100 -0.525 0.000 0.784 412 G HN 0.511 nan 8.290 nan 0.000 0.535 413 A N 1.138 123.064 122.820 -1.491 0.000 1.877 413 A HA -0.039 4.280 4.320 -0.002 0.000 0.216 413 A C 2.155 179.528 177.584 -0.352 0.000 1.186 413 A CA 1.858 53.093 52.037 -1.335 0.000 0.620 413 A CB -0.413 17.936 19.000 -1.086 0.000 0.822 413 A HN 0.429 nan 8.150 nan 0.000 0.443 414 E N -1.397 118.790 120.200 -0.022 0.000 2.150 414 E HA -0.185 4.163 4.350 -0.002 0.000 0.193 414 E C 1.869 178.798 176.600 0.547 0.000 0.985 414 E CA 0.811 57.389 56.400 0.295 0.000 0.814 414 E CB -0.254 29.654 29.700 0.346 0.000 0.752 414 E HN 0.901 nan 8.360 nan 0.000 0.466 415 W N 0.454 122.030 121.300 0.460 0.000 2.388 415 W HA -0.184 4.475 4.660 -0.003 0.000 0.294 415 W C 1.366 178.102 176.519 0.362 0.000 1.212 415 W CA 0.625 58.191 57.345 0.368 0.000 1.271 415 W CB -0.096 29.663 29.460 0.498 0.000 1.126 415 W HN 0.022 nan 8.180 nan 0.000 0.535 416 F N 1.469 121.495 119.950 0.126 0.000 2.171 416 F HA -0.178 4.347 4.527 -0.003 0.000 0.300 416 F C 2.531 178.236 175.800 -0.158 0.000 1.090 416 F CA 1.955 59.958 58.000 0.006 0.000 1.293 416 F CB -1.237 37.934 39.000 0.285 0.000 1.013 416 F HN 0.011 nan 8.300 nan 0.000 0.486 417 E N -0.584 119.602 120.200 -0.023 0.000 2.110 417 E HA -0.186 4.163 4.350 -0.002 0.000 0.193 417 E C 1.946 178.264 176.600 -0.470 0.000 0.988 417 E CA 1.797 57.854 56.400 -0.572 0.000 0.804 417 E CB -0.054 29.314 29.700 -0.553 0.000 0.745 417 E HN 0.282 nan 8.360 nan 0.000 0.458 418 T N -0.364 114.036 114.554 -0.256 0.000 2.770 418 T HA -0.123 4.226 4.350 -0.002 0.000 0.263 418 T C 1.910 176.385 174.700 -0.374 0.000 1.039 418 T CA 1.266 63.205 62.100 -0.268 0.000 1.142 418 T CB -0.242 68.478 68.868 -0.246 0.000 0.868 418 T HN 0.343 nan 8.240 nan 0.000 0.435 419 C N 0.663 119.627 119.300 -0.559 0.000 2.492 419 C HA 0.345 4.804 4.460 -0.002 0.000 0.279 419 C C 1.240 176.025 174.990 -0.341 0.000 1.335 419 C CA -0.634 58.069 59.018 -0.525 0.000 1.734 419 C CB -0.964 26.307 27.740 -0.782 0.000 2.027 419 C HN 0.430 nan 8.230 nan 0.000 0.496 420 L N 2.047 123.090 121.223 -0.300 0.000 2.462 420 L HA 0.054 4.393 4.340 -0.002 0.000 0.272 420 L C 1.192 177.969 176.870 -0.156 0.000 1.166 420 L CA -0.097 54.601 54.840 -0.236 0.000 0.880 420 L CB 0.434 42.389 42.059 -0.175 0.000 1.142 420 L HN 0.373 nan 8.230 nan 0.000 0.473 421 L N 2.173 123.246 121.223 -0.250 0.000 2.093 421 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 421 L C 1.511 178.230 176.870 -0.253 0.000 1.085 421 L CA 1.064 55.710 54.840 -0.323 0.000 0.755 421 L CB -0.370 41.246 42.059 -0.738 0.000 0.904 421 L HN 0.800 nan 8.230 nan 0.000 0.435 422 D N -1.716 118.524 120.400 -0.267 0.000 2.336 422 D HA -0.127 4.512 4.640 -0.002 0.000 0.228 422 D C 0.595 176.808 176.300 -0.145 0.000 1.120 422 D CA -0.537 53.341 54.000 -0.203 0.000 0.839 422 D CB -0.710 39.986 40.800 -0.174 0.000 0.932 422 D HN 0.281 nan 8.370 nan 0.000 0.509 423 Y N 1.544 121.731 120.300 -0.188 0.000 2.805 423 Y HA 0.109 4.657 4.550 -0.003 0.000 0.331 423 Y C -0.568 175.255 175.900 -0.129 0.000 1.241 423 Y CA 0.260 58.285 58.100 -0.124 0.000 1.546 423 Y CB 0.359 38.763 38.460 -0.094 0.000 1.248 423 Y HN -0.004 nan 8.280 nan 0.000 0.559 424 D N 8.513 128.345 120.400 -0.946 0.000 2.855 424 D HA 0.279 4.918 4.640 -0.002 0.000 0.241 424 D C -2.036 173.844 176.300 -0.699 0.000 1.277 424 D CA -2.013 51.504 54.000 -0.806 0.000 0.918 424 D CB 1.895 42.477 40.800 -0.363 0.000 1.462 424 D HN 0.266 nan 8.370 nan 0.000 0.559 425 P HA -0.221 nan 4.420 nan 0.000 0.216 425 P C 1.102 178.532 177.300 0.216 0.000 1.153 425 P CA 1.086 64.278 63.100 0.153 0.000 0.858 425 P CB 0.066 31.915 31.700 0.247 0.000 0.789 426 C N -0.222 119.096 119.300 0.031 0.000 2.436 426 C HA -0.049 4.410 4.460 -0.002 0.000 0.277 426 C C 3.141 178.089 174.990 -0.071 0.000 1.241 426 C CA 1.404 60.435 59.018 0.021 0.000 1.721 426 C CB -1.840 25.911 27.740 0.018 0.000 2.043 426 C HN 0.288 nan 8.230 nan 0.000 0.472 427 S N 0.989 116.613 115.700 -0.126 0.000 2.368 427 S HA -0.149 4.320 4.470 -0.002 0.000 0.224 427 S C 1.720 176.113 174.600 -0.345 0.000 1.029 427 S CA 1.627 59.648 58.200 -0.298 0.000 0.988 427 S CB -0.547 62.568 63.200 -0.141 0.000 0.838 427 S HN 0.681 nan 8.310 nan 0.000 0.462 428 N N 0.573 119.216 118.700 -0.095 0.000 2.028 428 N HA -0.097 4.642 4.740 -0.002 0.000 0.194 428 N C 1.484 177.043 175.510 0.080 0.000 1.050 428 N CA 1.718 54.810 53.050 0.069 0.000 0.848 428 N CB -0.449 38.182 38.487 0.240 0.000 1.038 428 N HN 0.410 nan 8.380 nan 0.000 0.423 429 Y N 0.066 120.497 120.300 0.218 0.000 2.352 429 Y HA 0.072 4.620 4.550 -0.002 0.000 0.292 429 Y C 2.391 178.287 175.900 -0.007 0.000 1.136 429 Y CA 1.104 59.344 58.100 0.234 0.000 1.227 429 Y CB -0.717 37.885 38.460 0.236 0.000 0.991 429 Y HN 0.182 nan 8.280 nan 0.000 0.545 430 G N 0.192 108.921 108.800 -0.118 0.000 2.433 430 G HA2 -0.266 3.692 3.960 -0.002 0.000 0.216 430 G HA3 -0.266 3.692 3.960 -0.002 0.000 0.216 430 G C 1.654 176.304 174.900 -0.417 0.000 1.186 430 G CA 1.066 45.966 45.100 -0.334 0.000 0.779 430 G HN 0.308 nan 8.290 nan 0.000 0.543 431 N N -0.047 118.196 118.700 -0.762 0.000 2.166 431 N HA -0.103 4.636 4.740 -0.002 0.000 0.186 431 N C 1.975 177.328 175.510 -0.261 0.000 1.019 431 N CA 0.947 53.698 53.050 -0.498 0.000 0.856 431 N CB -0.255 37.898 38.487 -0.556 0.000 0.993 431 N HN 0.524 nan 8.380 nan 0.000 0.426 432 W N 1.547 122.684 121.300 -0.272 0.000 2.363 432 W HA -0.093 4.566 4.660 -0.002 0.000 0.296 432 W C 2.607 178.843 176.519 -0.472 0.000 1.212 432 W CA 0.990 58.160 57.345 -0.292 0.000 1.260 432 W CB -0.674 28.680 29.460 -0.177 0.000 1.131 432 W HN -0.016 nan 8.180 nan 0.000 0.530 433 T N -0.694 113.714 114.554 -0.244 0.000 2.720 433 T HA -0.271 4.078 4.350 -0.002 0.000 0.268 433 T C 1.369 176.009 174.700 -0.100 0.000 1.037 433 T CA 1.703 63.592 62.100 -0.352 0.000 1.144 433 T CB -0.614 68.183 68.868 -0.119 0.000 0.864 433 T HN 0.117 nan 8.240 nan 0.000 0.444 434 Y N 0.846 121.093 120.300 -0.089 0.000 2.089 434 Y HA -0.074 4.475 4.550 -0.002 0.000 0.282 434 Y C 2.826 178.703 175.900 -0.038 0.000 1.139 434 Y CA 1.164 59.269 58.100 0.008 0.000 1.123 434 Y CB -0.667 37.846 38.460 0.088 0.000 0.980 434 Y HN 0.286 nan 8.280 nan 0.000 0.493 435 G N -0.784 108.045 108.800 0.048 0.000 2.442 435 G HA2 -0.256 3.703 3.960 -0.002 0.000 0.219 435 G HA3 -0.256 3.703 3.960 -0.002 0.000 0.219 435 G C 1.637 176.543 174.900 0.010 0.000 1.141 435 G CA 0.835 45.914 45.100 -0.035 0.000 0.763 435 G HN 0.472 nan 8.290 nan 0.000 0.554 436 A N -0.139 122.663 122.820 -0.030 0.000 2.235 436 A HA 0.448 4.767 4.320 -0.002 0.000 0.208 436 A C 2.049 179.690 177.584 0.095 0.000 1.172 436 A CA 1.275 53.350 52.037 0.065 0.000 0.786 436 A CB -0.571 18.338 19.000 -0.151 0.000 0.804 436 A HN 1.605 nan 8.150 nan 0.000 0.479 437 G N -0.953 107.864 108.800 0.028 0.000 2.198 437 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.260 437 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.260 437 G C 0.746 175.659 174.900 0.023 0.000 1.025 437 G CA 0.931 46.053 45.100 0.035 0.000 0.769 437 G HN 1.583 nan 8.290 nan 0.000 0.507 438 V N -2.578 117.307 119.914 -0.048 0.000 3.483 438 V HA 0.688 4.806 4.120 -0.002 0.000 0.301 438 V C 1.275 177.339 176.094 -0.049 0.000 1.389 438 V CA 0.674 62.963 62.300 -0.018 0.000 1.101 438 V CB 0.075 31.876 31.823 -0.037 0.000 0.971 438 V HN 0.943 nan 8.190 nan 0.000 0.434 439 G N 0.627 109.370 108.800 -0.096 0.000 2.642 439 G HA2 0.361 4.319 3.960 -0.002 0.000 0.291 439 G HA3 0.361 4.319 3.960 -0.002 0.000 0.291 439 G C -0.093 174.744 174.900 -0.104 0.000 1.345 439 G CA -0.577 44.463 45.100 -0.100 0.000 1.043 439 G HN 0.328 nan 8.290 nan 0.000 0.528 440 N N -0.473 118.172 118.700 -0.091 0.000 2.268 440 N HA 0.140 4.879 4.740 -0.002 0.000 0.204 440 N C -0.940 174.522 175.510 -0.079 0.000 1.124 440 N CA -0.018 52.997 53.050 -0.060 0.000 0.838 440 N CB 0.565 39.042 38.487 -0.016 0.000 0.994 440 N HN 0.292 nan 8.380 nan 0.000 0.489 441 D N 0.150 120.422 120.400 -0.213 0.000 2.542 441 D HA 0.145 4.783 4.640 -0.002 0.000 0.252 441 D C -2.023 174.127 176.300 -0.251 0.000 1.222 441 D CA -2.187 51.697 54.000 -0.193 0.000 0.895 441 D CB 1.762 42.462 40.800 -0.167 0.000 1.207 441 D HN -0.042 nan 8.370 nan 0.000 0.558 442 P HA -0.053 nan 4.420 nan 0.000 0.242 442 P C 1.300 178.638 177.300 0.063 0.000 1.197 442 P CA -0.002 63.089 63.100 -0.016 0.000 0.765 442 P CB 0.399 32.108 31.700 0.015 0.000 0.936 443 R N 1.592 122.170 120.500 0.129 0.000 2.134 443 R HA -0.176 4.162 4.340 -0.002 0.000 0.248 443 R C 1.094 177.550 176.300 0.260 0.000 1.143 443 R CA 1.707 57.965 56.100 0.263 0.000 0.957 443 R CB -0.171 30.420 30.300 0.484 0.000 0.867 443 R HN 0.044 nan 8.270 nan 0.000 0.441 444 E N 0.249 120.629 120.200 0.300 0.000 2.501 444 E HA 0.015 4.363 4.350 -0.002 0.000 0.200 444 E C -0.733 176.008 176.600 0.235 0.000 1.016 444 E CA 0.060 56.636 56.400 0.294 0.000 0.921 444 E CB 0.465 30.358 29.700 0.322 0.000 1.034 444 E HN 0.296 nan 8.360 nan 0.000 0.468 445 D N 1.752 122.245 120.400 0.155 0.000 2.563 445 D HA 0.060 4.699 4.640 -0.002 0.000 0.222 445 D C 0.786 177.176 176.300 0.150 0.000 1.145 445 D CA -0.023 54.057 54.000 0.133 0.000 1.001 445 D CB -0.001 40.840 40.800 0.068 0.000 1.049 445 D HN 0.077 nan 8.370 nan 0.000 0.515 446 R N 0.950 121.568 120.500 0.196 0.000 2.755 446 R HA 0.424 4.762 4.340 -0.002 0.000 0.099 446 R C -0.953 175.520 176.300 0.289 0.000 0.950 446 R CA -0.685 55.521 56.100 0.178 0.000 0.769 446 R CB 0.767 31.098 30.300 0.052 0.000 0.657 446 R HN 0.143 nan 8.270 nan 0.000 0.357 447 Y N 0.186 120.499 120.300 0.022 0.000 2.337 447 Y HA 0.407 4.956 4.550 -0.002 0.000 0.318 447 Y C -2.109 173.765 175.900 -0.042 0.000 1.258 447 Y CA -1.353 56.770 58.100 0.038 0.000 1.132 447 Y CB 1.379 39.806 38.460 -0.054 0.000 1.307 447 Y HN 0.372 nan 8.280 nan 0.000 0.428 448 F N 4.417 123.966 119.950 -0.669 0.000 2.361 448 F HA 0.355 4.880 4.527 -0.003 0.000 0.364 448 F C 0.682 176.098 175.800 -0.641 0.000 1.120 448 F CA -0.748 56.981 58.000 -0.452 0.000 1.102 448 F CB 1.635 40.479 39.000 -0.260 0.000 1.183 448 F HN 0.481 nan 8.300 nan 0.000 0.476 449 S N 4.212 119.779 115.700 -0.222 0.000 2.429 449 S HA 0.121 4.590 4.470 -0.002 0.000 0.292 449 S C 1.450 176.048 174.600 -0.003 0.000 1.183 449 S CA -0.587 57.577 58.200 -0.059 0.000 1.088 449 S CB -0.127 63.111 63.200 0.063 0.000 1.018 449 S HN 0.518 nan 8.310 nan 0.000 0.511 450 I N 8.105 128.672 120.570 -0.005 0.000 2.151 450 I HA -0.106 4.062 4.170 -0.002 0.000 0.243 450 I C -0.380 175.770 176.117 0.056 0.000 1.080 450 I CA 1.350 62.665 61.300 0.024 0.000 1.339 450 I CB -1.272 36.716 38.000 -0.020 0.000 1.039 450 I HN 0.571 nan 8.210 nan 0.000 0.409 451 P HA -0.186 nan 4.420 nan 0.000 0.216 451 P C 1.594 178.881 177.300 -0.022 0.000 1.153 451 P CA 1.723 64.846 63.100 0.038 0.000 0.848 451 P CB -0.037 31.698 31.700 0.057 0.000 0.787 452 K N -0.415 119.980 120.400 -0.009 0.000 2.025 452 K HA -0.117 4.201 4.320 -0.002 0.000 0.207 452 K C 2.521 179.092 176.600 -0.048 0.000 1.049 452 K CA 1.142 57.402 56.287 -0.045 0.000 0.933 452 K CB -0.334 32.150 32.500 -0.027 0.000 0.714 452 K HN 0.067 nan 8.250 nan 0.000 0.438 453 Q N 0.277 120.102 119.800 0.042 0.000 2.096 453 Q HA -0.152 4.186 4.340 -0.002 0.000 0.204 453 Q C 2.181 178.265 176.000 0.139 0.000 0.982 453 Q CA 1.699 57.605 55.803 0.172 0.000 0.850 453 Q CB -0.379 28.501 28.738 0.236 0.000 0.901 453 Q HN 0.334 nan 8.270 nan 0.000 0.422 454 A N 0.781 123.645 122.820 0.074 0.000 1.902 454 A HA -0.200 4.118 4.320 -0.002 0.000 0.217 454 A C 2.136 179.701 177.584 -0.032 0.000 1.181 454 A CA 1.302 53.395 52.037 0.093 0.000 0.623 454 A CB -0.345 18.736 19.000 0.136 0.000 0.818 454 A HN 0.214 nan 8.150 nan 0.000 0.443 455 Q N -0.039 119.625 119.800 -0.226 0.000 2.046 455 Q HA -0.111 4.227 4.340 -0.002 0.000 0.200 455 Q C 1.747 177.619 176.000 -0.213 0.000 0.975 455 Q CA 1.431 57.041 55.803 -0.322 0.000 0.836 455 Q CB -0.394 28.158 28.738 -0.311 0.000 0.896 455 Q HN 0.672 nan 8.270 nan 0.000 0.428 456 N N -0.510 118.013 118.700 -0.295 0.000 2.270 456 N HA -0.107 4.631 4.740 -0.002 0.000 0.181 456 N C 1.112 176.269 175.510 -0.590 0.000 1.016 456 N CA 0.999 53.747 53.050 -0.504 0.000 0.870 456 N CB -0.079 37.945 38.487 -0.772 0.000 0.979 456 N HN 0.369 nan 8.380 nan 0.000 0.431 457 Y N -0.934 119.344 120.300 -0.037 0.000 2.467 457 Y HA 0.226 4.775 4.550 -0.002 0.000 0.250 457 Y C 0.095 175.977 175.900 -0.031 0.000 1.155 457 Y CA -0.328 57.738 58.100 -0.057 0.000 1.249 457 Y CB 0.829 39.236 38.460 -0.090 0.000 1.146 457 Y HN -0.154 nan 8.280 nan 0.000 0.524 458 D N -0.450 120.027 120.400 0.128 0.000 3.453 458 D HA 0.106 4.744 4.640 -0.002 0.000 0.312 458 D C -2.051 174.404 176.300 0.258 0.000 1.349 458 D CA -1.550 52.559 54.000 0.182 0.000 0.739 458 D CB 0.561 41.509 40.800 0.246 0.000 1.312 458 D HN -0.125 nan 8.370 nan 0.000 0.628 459 P HA -0.199 nan 4.420 nan 0.000 0.216 459 P C 0.880 178.334 177.300 0.256 0.000 1.157 459 P CA 1.278 64.489 63.100 0.186 0.000 0.880 459 P CB 0.525 32.260 31.700 0.058 0.000 0.791 460 E N -1.403 118.871 120.200 0.123 0.000 2.489 460 E HA 0.209 4.557 4.350 -0.002 0.000 0.193 460 E C 1.460 178.040 176.600 -0.034 0.000 1.057 460 E CA 0.657 57.085 56.400 0.047 0.000 0.866 460 E CB -1.050 28.672 29.700 0.036 0.000 0.916 460 E HN 0.332 nan 8.360 nan 0.000 0.500 461 G N 1.680 110.469 108.800 -0.018 0.000 2.203 461 G HA2 -0.429 3.529 3.960 -0.002 0.000 0.263 461 G HA3 -0.429 3.529 3.960 -0.002 0.000 0.263 461 G C 0.883 175.783 174.900 0.000 0.000 1.012 461 G CA 0.902 45.948 45.100 -0.090 0.000 0.749 461 G HN 0.551 nan 8.290 nan 0.000 0.512 462 E N -1.414 118.823 120.200 0.062 0.000 2.274 462 E HA -0.118 4.231 4.350 -0.002 0.000 0.194 462 E C 1.931 178.621 176.600 0.149 0.000 0.996 462 E CA 0.958 57.407 56.400 0.082 0.000 0.840 462 E CB -0.202 29.546 29.700 0.080 0.000 0.772 462 E HN 0.657 nan 8.360 nan 0.000 0.491 463 Y N 1.908 122.264 120.300 0.093 0.000 2.153 463 Y HA -0.133 4.415 4.550 -0.003 0.000 0.289 463 Y C 2.191 178.238 175.900 0.244 0.000 1.127 463 Y CA 1.423 59.624 58.100 0.168 0.000 1.131 463 Y CB -0.405 38.136 38.460 0.135 0.000 0.995 463 Y HN -0.096 nan 8.280 nan 0.000 0.505 464 V N 0.759 120.679 119.914 0.011 0.000 2.407 464 V HA -0.314 3.805 4.120 -0.002 0.000 0.248 464 V C 2.656 178.690 176.094 -0.101 0.000 1.055 464 V CA 1.790 64.034 62.300 -0.093 0.000 1.049 464 V CB -1.566 30.241 31.823 -0.028 0.000 0.662 464 V HN 0.580 nan 8.190 nan 0.000 0.455 465 A N -0.640 122.141 122.820 -0.066 0.000 1.930 465 A HA -0.202 4.116 4.320 -0.002 0.000 0.217 465 A C 2.085 179.601 177.584 -0.115 0.000 1.175 465 A CA 1.688 53.674 52.037 -0.086 0.000 0.627 465 A CB -0.674 18.291 19.000 -0.059 0.000 0.815 465 A HN 0.528 nan 8.150 nan 0.000 0.443 466 F N -1.204 118.601 119.950 -0.242 0.000 2.171 466 F HA -0.165 4.360 4.527 -0.003 0.000 0.300 466 F C 1.756 177.216 175.800 -0.566 0.000 1.090 466 F CA 1.676 59.437 58.000 -0.398 0.000 1.293 466 F CB -0.202 38.555 39.000 -0.404 0.000 1.013 466 F HN 0.401 nan 8.300 nan 0.000 0.486 467 W N -0.036 121.122 121.300 -0.237 0.000 2.683 467 W HA 0.265 4.924 4.660 -0.002 0.000 0.267 467 W C 0.025 176.405 176.519 -0.232 0.000 1.243 467 W CA 0.004 57.185 57.345 -0.273 0.000 1.380 467 W CB 0.059 29.378 29.460 -0.234 0.000 1.063 467 W HN -0.337 nan 8.180 nan 0.000 0.599 468 L N 3.153 124.369 121.223 -0.012 0.000 2.287 468 L HA 0.170 4.508 4.340 -0.002 0.000 0.280 468 L C 1.735 178.555 176.870 -0.082 0.000 1.055 468 L CA -0.492 54.331 54.840 -0.027 0.000 0.863 468 L CB 0.826 42.837 42.059 -0.080 0.000 1.245 468 L HN 0.097 nan 8.230 nan 0.000 0.432 469 Q N 2.050 121.799 119.800 -0.084 0.000 2.133 469 Q HA -0.287 4.052 4.340 -0.002 0.000 0.208 469 Q C 1.172 177.135 176.000 -0.061 0.000 0.991 469 Q CA 1.862 57.603 55.803 -0.103 0.000 0.867 469 Q CB -0.352 28.329 28.738 -0.096 0.000 0.911 469 Q HN 0.668 nan 8.270 nan 0.000 0.417 470 Q N 0.670 120.467 119.800 -0.004 0.000 2.376 470 Q HA 0.013 4.351 4.340 -0.002 0.000 0.211 470 Q C 1.791 177.776 176.000 -0.024 0.000 0.986 470 Q CA 1.228 57.048 55.803 0.027 0.000 0.886 470 Q CB -0.127 28.707 28.738 0.160 0.000 0.927 470 Q HN 0.458 nan 8.270 nan 0.000 0.457 471 L N -0.863 120.310 121.223 -0.084 0.000 2.693 471 L HA 0.184 4.523 4.340 -0.002 0.000 0.235 471 L C 1.691 178.503 176.870 -0.097 0.000 1.127 471 L CA -0.328 54.443 54.840 -0.115 0.000 0.914 471 L CB 0.005 41.951 42.059 -0.188 0.000 1.193 471 L HN 0.072 nan 8.230 nan 0.000 0.502 472 R N 1.464 121.909 120.500 -0.092 0.000 2.112 472 R HA -0.151 4.188 4.340 -0.002 0.000 0.242 472 R C 1.623 177.885 176.300 -0.064 0.000 1.137 472 R CA 1.545 57.592 56.100 -0.087 0.000 0.944 472 R CB -0.499 29.741 30.300 -0.100 0.000 0.857 472 R HN 0.406 nan 8.270 nan 0.000 0.435 473 R N 0.756 121.224 120.500 -0.053 0.000 2.335 473 R HA 0.237 4.576 4.340 -0.002 0.000 0.223 473 R C 0.264 176.542 176.300 -0.037 0.000 0.940 473 R CA -0.042 56.034 56.100 -0.039 0.000 1.086 473 R CB 0.031 30.313 30.300 -0.031 0.000 1.073 473 R HN 0.102 nan 8.270 nan 0.000 0.504 474 L N 1.378 122.572 121.223 -0.048 0.000 2.343 474 L HA 0.403 4.741 4.340 -0.002 0.000 0.275 474 L C -2.127 174.712 176.870 -0.052 0.000 1.056 474 L CA -2.455 52.357 54.840 -0.047 0.000 0.804 474 L CB 0.740 42.765 42.059 -0.057 0.000 1.203 474 L HN -0.262 nan 8.230 nan 0.000 0.440 475 P HA 0.015 nan 4.420 nan 0.000 0.271 475 P C 0.355 177.617 177.300 -0.063 0.000 1.233 475 P CA -0.353 62.725 63.100 -0.037 0.000 0.789 475 P CB 0.652 32.341 31.700 -0.018 0.000 0.951 476 K N 1.967 122.334 120.400 -0.055 0.000 2.032 476 K HA -0.271 4.048 4.320 -0.002 0.000 0.218 476 K C 1.696 178.218 176.600 -0.129 0.000 1.054 476 K CA 2.078 58.310 56.287 -0.091 0.000 0.941 476 K CB -0.285 32.208 32.500 -0.011 0.000 0.720 476 K HN 0.515 nan 8.250 nan 0.000 0.449 477 E N 0.606 120.810 120.200 0.006 0.000 2.150 477 E HA -0.204 4.145 4.350 -0.002 0.000 0.193 477 E C 1.623 178.244 176.600 0.036 0.000 0.985 477 E CA 1.081 57.537 56.400 0.093 0.000 0.814 477 E CB -0.151 29.601 29.700 0.087 0.000 0.752 477 E HN 0.218 nan 8.360 nan 0.000 0.466 478 K N 1.030 121.417 120.400 -0.021 0.000 2.217 478 K HA 0.039 4.357 4.320 -0.002 0.000 0.202 478 K C 2.241 178.798 176.600 -0.072 0.000 1.051 478 K CA 0.568 56.840 56.287 -0.026 0.000 0.952 478 K CB -0.189 32.295 32.500 -0.028 0.000 0.736 478 K HN 0.177 nan 8.250 nan 0.000 0.453 479 R N -0.254 120.152 120.500 -0.158 0.000 2.115 479 R HA -0.084 4.254 4.340 -0.002 0.000 0.230 479 R C 2.103 178.284 176.300 -0.198 0.000 1.111 479 R CA 0.943 56.909 56.100 -0.223 0.000 0.976 479 R CB -0.195 29.928 30.300 -0.295 0.000 0.870 479 R HN 0.308 nan 8.270 nan 0.000 0.445 480 H N -1.788 117.276 119.070 -0.009 0.000 2.363 480 H HA -0.097 4.457 4.556 -0.004 0.000 0.301 480 H C 0.632 175.974 175.328 0.023 0.000 1.074 480 H CA 1.426 57.482 56.048 0.014 0.000 1.354 480 H CB -0.016 29.761 29.762 0.025 0.000 1.397 480 H HN 0.421 nan 8.280 nan 0.000 0.516 481 W N 2.586 123.967 121.300 0.135 0.000 2.330 481 W HA 0.372 5.030 4.660 -0.002 0.000 0.286 481 W C -2.164 174.385 176.519 0.049 0.000 1.019 481 W CA -1.624 55.778 57.345 0.095 0.000 1.485 481 W CB 0.255 29.782 29.460 0.111 0.000 1.457 481 W HN -0.058 nan 8.180 nan 0.000 0.359 482 P HA 0.239 nan 4.420 nan 0.000 0.222 482 P C 1.004 178.327 177.300 0.039 0.000 1.153 482 P CA 2.126 65.232 63.100 0.011 0.000 0.798 482 P CB 0.834 32.522 31.700 -0.020 0.000 0.796 483 G N 0.320 109.151 108.800 0.051 0.000 2.675 483 G HA2 -0.184 3.774 3.960 -0.002 0.000 0.686 483 G HA3 -0.184 3.774 3.960 -0.002 0.000 0.686 483 G C 0.446 175.377 174.900 0.052 0.000 1.215 483 G CA -0.319 44.807 45.100 0.044 0.000 0.777 483 G HN 0.106 nan 8.290 nan 0.000 0.638 484 R N 0.203 120.717 120.500 0.024 0.000 2.091 484 R HA -0.062 4.276 4.340 -0.002 0.000 0.238 484 R C 2.643 178.946 176.300 0.004 0.000 1.136 484 R CA 1.721 57.822 56.100 0.002 0.000 0.959 484 R CB -0.245 30.046 30.300 -0.016 0.000 0.856 484 R HN 0.385 nan 8.270 nan 0.000 0.437 485 L N 0.031 121.262 121.223 0.013 0.000 2.156 485 L HA -0.035 4.304 4.340 -0.002 0.000 0.208 485 L C 2.070 178.954 176.870 0.024 0.000 1.095 485 L CA 1.634 56.479 54.840 0.009 0.000 0.770 485 L CB -0.206 41.858 42.059 0.009 0.000 0.914 485 L HN 0.192 nan 8.230 nan 0.000 0.439 486 M N -3.452 116.177 119.600 0.048 0.000 2.556 486 M HA -0.040 4.439 4.480 -0.002 0.000 0.245 486 M C 1.282 177.665 176.300 0.138 0.000 1.128 486 M CA 0.830 56.168 55.300 0.063 0.000 1.069 486 M CB 0.293 32.919 32.600 0.044 0.000 1.469 486 M HN 0.270 nan 8.290 nan 0.000 0.494 487 Y N 0.380 120.658 120.300 -0.037 0.000 3.120 487 Y HA 0.398 4.947 4.550 -0.001 0.000 0.144 487 Y C -0.193 175.678 175.900 -0.047 0.000 0.878 487 Y CA -0.653 57.420 58.100 -0.045 0.000 1.877 487 Y CB 1.002 39.429 38.460 -0.055 0.000 1.311 487 Y HN 0.003 nan 8.280 nan 0.000 0.312 488 M N -0.227 119.201 119.600 -0.287 0.000 3.012 488 M HA 0.321 4.799 4.480 -0.002 0.000 0.272 488 M C -2.181 173.993 176.300 -0.210 0.000 1.187 488 M CA -0.970 54.128 55.300 -0.336 0.000 0.813 488 M CB 1.594 33.854 32.600 -0.567 0.000 1.626 488 M HN 0.166 nan 8.290 nan 0.000 0.507 489 D N 2.043 122.349 120.400 -0.156 0.000 2.399 489 D HA 0.343 4.981 4.640 -0.002 0.000 0.241 489 D C -0.523 175.706 176.300 -0.118 0.000 1.133 489 D CA 0.597 54.536 54.000 -0.101 0.000 0.890 489 D CB 1.288 42.052 40.800 -0.060 0.000 1.201 489 D HN 0.713 nan 8.370 nan 0.000 0.432 490 T N 0.561 115.051 114.554 -0.107 0.000 2.749 490 T HA 0.132 4.481 4.350 -0.002 0.000 0.295 490 T C 1.188 175.925 174.700 0.061 0.000 0.936 490 T CA -0.856 61.172 62.100 -0.122 0.000 1.060 490 T CB 1.339 70.077 68.868 -0.217 0.000 0.904 490 T HN 0.207 nan 8.240 nan 0.000 0.500 491 V N 3.290 123.291 119.914 0.145 0.000 2.913 491 V HA 0.147 4.266 4.120 -0.002 0.000 0.260 491 V C 0.688 176.896 176.094 0.190 0.000 1.098 491 V CA 1.269 63.666 62.300 0.162 0.000 1.121 491 V CB -0.347 31.589 31.823 0.187 0.000 0.714 491 V HN 0.809 nan 8.190 nan 0.000 0.487 492 V N -1.151 118.936 119.914 0.287 0.000 3.167 492 V HA 0.468 4.586 4.120 -0.002 0.000 0.293 492 V C -2.671 173.609 176.094 0.309 0.000 1.379 492 V CA -1.481 60.952 62.300 0.221 0.000 1.019 492 V CB 2.540 34.437 31.823 0.123 0.000 1.115 492 V HN 0.187 nan 8.190 nan 0.000 0.442 493 P HA 0.463 nan 4.420 nan 0.000 0.277 493 P C -0.960 176.437 177.300 0.163 0.000 1.271 493 P CA -0.338 62.889 63.100 0.213 0.000 0.795 493 P CB 0.512 32.286 31.700 0.122 0.000 1.101 494 L N 0.890 122.207 121.223 0.158 0.000 2.399 494 L HA 0.492 4.831 4.340 -0.002 0.000 0.265 494 L C 0.000 176.911 176.870 0.069 0.000 1.089 494 L CA -0.672 54.229 54.840 0.101 0.000 0.802 494 L CB 0.391 42.527 42.059 0.128 0.000 1.180 494 L HN 0.426 nan 8.230 nan 0.000 0.454 495 K N 0.009 120.456 120.400 0.077 0.000 10.451 495 K HA -0.080 4.239 4.320 -0.002 0.000 1.052 495 K C -0.588 175.905 176.600 -0.177 0.000 2.543 495 K CA -0.275 55.910 56.287 -0.171 0.000 1.220 495 K CB -0.551 31.869 32.500 -0.135 0.000 1.447 495 K HN 0.633 nan 8.250 nan 0.000 0.429 496 H N 0.000 118.888 119.070 -0.303 0.000 2.539 496 H HA 0.000 4.555 4.556 -0.002 0.000 0.296 496 H CA 0.000 55.937 56.048 -0.185 0.000 1.023 496 H CB 0.000 29.637 29.762 -0.209 0.000 1.292 496 H HN 0.000 nan 8.280 nan 0.000 0.496