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 2dwp_1_A DATA FIRST_RESID 3 DATA SEQUENCE ELTQSRVQKI WVPVDHRXXX XXXXXXXXXN SPTVIVMVGL PARGKTYISK DATA SEQUENCE KLTRYLNWIG VPTKVFNVGE YRREAVKQYS SYNFFRPDNE EAMKVRKQCA DATA SEQUENCE LAALRDVKSY LAKEGGQIAV FDATNTTRER RHMILHFAKE NDFKAFFIES DATA SEQUENCE VCDDPTVVAS NIMEVKISSP DYKDCNSAEA MDDFMKRISC YEASYQPLDP DATA SEQUENCE DKCDRDLSLI KVIDVGRRFL VNRVQDHIQS RIVYYLMNIH VQPRTIYLCR DATA SEQUENCE HGENEHNLQG RIGGDSGLSS RGKKFASALS KFVEEQNLKD LRVWTSQLKS DATA SEQUENCE TIQTAEALRL PYEQWKALNE IDAGVCEELT YEEIRDTYPE EYALREQDKY DATA SEQUENCE YYRYPTGESY QDLVQRLEPV IMELERQENV LVICHQAVLR CLLAYFLDKS DATA SEQUENCE AEEMPYLKCP LHTVLKLTPV AYGCRVESIY LNVESVCTHR ERS 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.640 176.600 0.066 0.000 1.382 3 E CA 0.000 56.419 56.400 0.031 0.000 0.976 3 E CB 0.000 29.725 29.700 0.042 0.000 0.812 4 L N 0.551 121.830 121.223 0.094 0.000 2.283 4 L HA 0.722 5.063 4.340 0.001 0.000 0.259 4 L C 0.245 177.319 176.870 0.341 0.000 1.027 4 L CA -0.970 53.987 54.840 0.196 0.000 0.828 4 L CB 2.216 44.405 42.059 0.216 0.000 1.380 4 L HN 0.234 nan 8.230 nan 0.000 0.425 5 T N -0.038 114.727 114.554 0.352 0.000 2.886 5 T HA 0.253 4.604 4.350 0.001 0.000 0.292 5 T C -1.177 173.545 174.700 0.037 0.000 1.012 5 T CA -0.472 61.782 62.100 0.257 0.000 0.982 5 T CB 1.716 70.662 68.868 0.130 0.000 1.018 5 T HN 0.624 nan 8.240 nan 0.000 0.451 6 Q N 3.095 122.642 119.800 -0.422 0.000 2.294 6 Q HA 0.439 4.780 4.340 0.001 0.000 0.257 6 Q C 0.213 175.955 176.000 -0.431 0.000 0.955 6 Q CA -0.577 54.706 55.803 -0.867 0.000 0.936 6 Q CB 0.762 28.503 28.738 -1.662 0.000 1.188 6 Q HN 0.827 nan 8.270 nan 0.000 0.420 7 S N 4.017 119.522 115.700 -0.324 0.000 2.558 7 S HA 0.015 4.486 4.470 0.001 0.000 0.288 7 S C 0.834 175.311 174.600 -0.206 0.000 1.318 7 S CA -0.006 58.072 58.200 -0.203 0.000 1.056 7 S CB 0.908 64.010 63.200 -0.164 0.000 0.853 7 S HN 0.845 nan 8.310 nan 0.000 0.505 8 R N 2.277 122.699 120.500 -0.129 0.000 2.090 8 R HA -0.016 4.325 4.340 0.001 0.000 0.228 8 R C 1.927 178.176 176.300 -0.085 0.000 1.110 8 R CA 1.395 57.439 56.100 -0.094 0.000 0.973 8 R CB -0.594 29.685 30.300 -0.034 0.000 0.869 8 R HN 0.643 nan 8.270 nan 0.000 0.440 9 V N 0.697 120.570 119.914 -0.068 0.000 2.278 9 V HA -0.154 3.967 4.120 0.001 0.000 0.238 9 V C 1.964 177.951 176.094 -0.177 0.000 1.039 9 V CA 1.432 63.708 62.300 -0.040 0.000 1.017 9 V CB -0.444 31.400 31.823 0.036 0.000 0.657 9 V HN 0.263 nan 8.190 nan 0.000 0.462 10 Q N -0.061 119.655 119.800 -0.139 0.000 2.482 10 Q HA -0.009 4.332 4.340 0.001 0.000 0.209 10 Q C 0.020 175.897 176.000 -0.205 0.000 0.961 10 Q CA -0.004 55.708 55.803 -0.152 0.000 0.945 10 Q CB 0.159 28.842 28.738 -0.093 0.000 1.012 10 Q HN 0.419 nan 8.270 nan 0.000 0.515 11 K N 0.245 120.493 120.400 -0.253 0.000 3.035 11 K HA -0.190 4.131 4.320 0.001 0.000 0.262 11 K C -0.539 175.861 176.600 -0.333 0.000 1.024 11 K CA 0.719 56.819 56.287 -0.312 0.000 0.748 11 K CB -1.676 30.659 32.500 -0.274 0.000 1.247 11 K HN 0.235 nan 8.250 nan 0.000 0.482 12 I N 0.192 120.593 120.570 -0.282 0.000 2.392 12 I HA 0.218 4.389 4.170 0.001 0.000 0.295 12 I C 0.724 176.701 176.117 -0.234 0.000 0.985 12 I CA -0.788 60.395 61.300 -0.196 0.000 1.221 12 I CB 0.678 38.624 38.000 -0.090 0.000 1.366 12 I HN 0.044 nan 8.210 nan 0.000 0.467 13 W N 6.520 127.803 121.300 -0.029 0.000 2.345 13 W HA 0.460 5.121 4.660 0.001 0.000 0.308 13 W C 0.189 176.694 176.519 -0.023 0.000 1.273 13 W CA -0.438 56.894 57.345 -0.022 0.000 1.243 13 W CB 0.794 30.244 29.460 -0.017 0.000 1.260 13 W HN 0.295 nan 8.180 nan 0.000 0.509 14 V N 2.457 122.480 119.914 0.180 0.000 2.735 14 V HA 0.638 4.759 4.120 0.001 0.000 0.310 14 V C -2.289 173.867 176.094 0.104 0.000 1.061 14 V CA -3.456 58.903 62.300 0.098 0.000 0.913 14 V CB 1.766 33.603 31.823 0.024 0.000 1.005 14 V HN 0.342 nan 8.190 nan 0.000 0.428 15 P HA 0.129 nan 4.420 nan 0.000 0.266 15 P C 0.173 177.493 177.300 0.034 0.000 1.215 15 P CA 0.311 63.444 63.100 0.055 0.000 0.763 15 P CB 1.150 32.868 31.700 0.031 0.000 0.806 16 V N 1.203 121.150 119.914 0.056 0.000 2.673 16 V HA 0.027 4.148 4.120 0.001 0.000 0.303 16 V C 1.095 177.177 176.094 -0.021 0.000 1.046 16 V CA 0.344 62.660 62.300 0.026 0.000 1.126 16 V CB 0.311 32.233 31.823 0.165 0.000 0.934 16 V HN 0.529 nan 8.190 nan 0.000 0.487 17 D N 1.800 122.113 120.400 -0.145 0.000 2.232 17 D HA -0.095 4.546 4.640 0.001 0.000 0.220 17 D C 0.575 176.841 176.300 -0.058 0.000 0.982 17 D CA 0.689 54.623 54.000 -0.111 0.000 0.892 17 D CB -0.082 40.630 40.800 -0.147 0.000 1.040 17 D HN 0.885 nan 8.370 nan 0.000 0.463 18 H N 0.859 119.935 119.070 0.010 0.000 2.281 18 H HA -0.196 4.360 4.556 0.002 0.000 0.297 18 H C 0.241 175.574 175.328 0.007 0.000 0.833 18 H CA 0.921 56.975 56.048 0.009 0.000 0.978 18 H CB -0.655 29.114 29.762 0.012 0.000 1.566 18 H HN 0.229 nan 8.280 nan 0.000 0.293 33 S N 2.744 118.474 115.700 0.050 0.000 2.715 33 S HA 0.029 4.500 4.470 0.001 0.000 0.318 33 S C -1.632 172.994 174.600 0.043 0.000 1.242 33 S CA -0.112 58.128 58.200 0.068 0.000 1.044 33 S CB 0.193 63.447 63.200 0.090 0.000 0.760 33 S HN 0.446 nan 8.310 nan 0.000 0.501 34 P HA 0.143 nan 4.420 nan 0.000 0.269 34 P C -0.685 176.546 177.300 -0.115 0.000 1.215 34 P CA -0.267 62.759 63.100 -0.122 0.000 0.780 34 P CB 0.509 32.017 31.700 -0.320 0.000 0.898 35 T N 0.821 115.316 114.554 -0.098 0.000 2.863 35 T HA 0.361 4.712 4.350 0.001 0.000 0.285 35 T C -0.360 174.328 174.700 -0.020 0.000 1.009 35 T CA -0.485 61.602 62.100 -0.021 0.000 0.989 35 T CB 1.258 70.145 68.868 0.032 0.000 1.004 35 T HN 0.089 nan 8.240 nan 0.000 0.455 36 V N 4.026 123.957 119.914 0.027 0.000 2.334 36 V HA 0.408 4.529 4.120 0.001 0.000 0.281 36 V C -0.002 176.112 176.094 0.034 0.000 1.016 36 V CA -0.738 61.583 62.300 0.035 0.000 0.832 36 V CB 0.783 32.642 31.823 0.059 0.000 0.999 36 V HN 0.784 nan 8.190 nan 0.000 0.439 37 I N 5.196 125.820 120.570 0.090 0.000 2.371 37 I HA 0.287 4.458 4.170 0.001 0.000 0.290 37 I C -0.267 175.862 176.117 0.020 0.000 1.028 37 I CA -0.319 61.040 61.300 0.098 0.000 1.345 37 I CB 1.612 39.730 38.000 0.197 0.000 1.407 37 I HN 0.276 nan 8.210 nan 0.000 0.501 38 V N 7.425 127.233 119.914 -0.176 0.000 2.347 38 V HA 0.306 4.427 4.120 0.001 0.000 0.280 38 V C 0.369 176.470 176.094 0.011 0.000 1.021 38 V CA -0.710 61.509 62.300 -0.135 0.000 0.847 38 V CB 1.273 32.742 31.823 -0.589 0.000 0.990 38 V HN 0.587 nan 8.190 nan 0.000 0.444 39 M N 5.243 124.901 119.600 0.097 0.000 2.235 39 M HA 0.504 4.985 4.480 0.001 0.000 0.351 39 M C -0.466 175.908 176.300 0.124 0.000 1.178 39 M CA -0.141 55.215 55.300 0.094 0.000 1.143 39 M CB 1.148 33.785 32.600 0.061 0.000 1.530 39 M HN 0.354 nan 8.290 nan 0.000 0.461 40 V N 1.171 121.160 119.914 0.126 0.000 2.686 40 V HA 0.973 5.094 4.120 0.001 0.000 0.306 40 V C 0.116 176.251 176.094 0.069 0.000 1.065 40 V CA -0.617 61.766 62.300 0.139 0.000 0.894 40 V CB 1.872 33.828 31.823 0.222 0.000 1.004 40 V HN 1.085 nan 8.190 nan 0.000 0.424 41 G N 2.895 111.679 108.800 -0.025 0.000 2.337 41 G HA2 0.281 4.242 3.960 0.001 0.000 0.310 41 G HA3 0.281 4.242 3.960 0.001 0.000 0.310 41 G C -1.405 173.288 174.900 -0.345 0.000 1.534 41 G CA -1.075 43.923 45.100 -0.170 0.000 0.982 41 G HN 0.670 nan 8.290 nan 0.000 0.672 42 L N 1.791 122.719 121.223 -0.492 0.000 2.476 42 L HA 0.321 4.662 4.340 0.001 0.000 0.264 42 L C -1.216 175.465 176.870 -0.316 0.000 1.224 42 L CA -1.408 53.149 54.840 -0.470 0.000 0.821 42 L CB 0.401 42.229 42.059 -0.384 0.000 1.101 42 L HN 0.397 nan 8.230 nan 0.000 0.488 43 P HA -0.006 nan 4.420 nan 0.000 0.270 43 P C -0.153 177.166 177.300 0.032 0.000 1.223 43 P CA 0.171 63.171 63.100 -0.167 0.000 0.785 43 P CB 0.693 32.209 31.700 -0.307 0.000 0.923 44 A N 0.732 123.641 122.820 0.148 0.000 2.869 44 A HA -0.209 4.112 4.320 0.001 0.000 0.280 44 A C 0.869 178.454 177.584 0.001 0.000 1.458 44 A CA 1.018 53.106 52.037 0.086 0.000 0.776 44 A CB -2.463 16.631 19.000 0.157 0.000 1.028 44 A HN 0.527 nan 8.150 nan 0.000 0.547 45 R N -1.051 119.442 120.500 -0.011 0.000 2.565 45 R HA 0.432 4.773 4.340 0.001 0.000 0.347 45 R C 1.543 177.841 176.300 -0.004 0.000 1.010 45 R CA 1.330 57.415 56.100 -0.025 0.000 1.126 45 R CB 0.248 30.523 30.300 -0.041 0.000 1.331 45 R HN 1.828 nan 8.270 nan 0.000 0.552 46 G N 0.827 109.637 108.800 0.017 0.000 2.143 46 G HA2 -0.369 3.592 3.960 0.001 0.000 0.248 46 G HA3 -0.369 3.592 3.960 0.001 0.000 0.248 46 G C 0.852 175.847 174.900 0.158 0.000 0.991 46 G CA 0.707 45.854 45.100 0.077 0.000 0.689 46 G HN 0.365 nan 8.290 nan 0.000 0.522 47 K N -0.637 119.825 120.400 0.104 0.000 2.032 47 K HA -0.078 4.243 4.320 0.001 0.000 0.209 47 K C 2.559 179.229 176.600 0.117 0.000 1.048 47 K CA 1.853 58.196 56.287 0.093 0.000 0.927 47 K CB -0.284 32.237 32.500 0.034 0.000 0.712 47 K HN 0.362 nan 8.250 nan 0.000 0.441 48 T N 0.342 114.977 114.554 0.135 0.000 2.857 48 T HA -0.136 4.215 4.350 0.001 0.000 0.266 48 T C 1.495 176.308 174.700 0.188 0.000 1.048 48 T CA 0.862 63.016 62.100 0.090 0.000 1.139 48 T CB -0.322 68.539 68.868 -0.010 0.000 0.874 48 T HN 0.247 nan 8.240 nan 0.000 0.455 49 Y N 1.981 122.429 120.300 0.247 0.000 2.053 49 Y HA -0.193 4.358 4.550 0.002 0.000 0.277 49 Y C 2.021 178.008 175.900 0.145 0.000 1.159 49 Y CA 1.266 59.527 58.100 0.267 0.000 1.125 49 Y CB -0.527 38.014 38.460 0.134 0.000 0.969 49 Y HN 0.150 nan 8.280 nan 0.000 0.492 50 I N -0.771 119.968 120.570 0.283 0.000 2.163 50 I HA -0.389 3.782 4.170 0.001 0.000 0.243 50 I C 2.506 178.684 176.117 0.102 0.000 1.085 50 I CA 1.635 63.046 61.300 0.184 0.000 1.347 50 I CB -0.714 37.414 38.000 0.213 0.000 1.044 50 I HN 0.173 nan 8.210 nan 0.000 0.408 51 S N 0.633 116.385 115.700 0.086 0.000 2.359 51 S HA -0.209 4.262 4.470 0.001 0.000 0.223 51 S C 1.987 176.587 174.600 -0.000 0.000 1.039 51 S CA 1.407 59.636 58.200 0.049 0.000 1.042 51 S CB -0.230 62.983 63.200 0.023 0.000 0.915 51 S HN 0.367 nan 8.310 nan 0.000 0.439 52 K N 0.960 121.329 120.400 -0.051 0.000 2.026 52 K HA -0.096 4.225 4.320 0.001 0.000 0.208 52 K C 2.325 178.868 176.600 -0.095 0.000 1.048 52 K CA 1.097 57.326 56.287 -0.097 0.000 0.929 52 K CB -0.236 32.184 32.500 -0.133 0.000 0.713 52 K HN 0.219 nan 8.250 nan 0.000 0.439 53 K N 0.739 121.064 120.400 -0.124 0.000 2.057 53 K HA -0.146 4.175 4.320 0.001 0.000 0.207 53 K C 2.154 178.800 176.600 0.077 0.000 1.049 53 K CA 0.768 57.011 56.287 -0.073 0.000 0.931 53 K CB -0.045 32.383 32.500 -0.119 0.000 0.714 53 K HN -0.038 nan 8.250 nan 0.000 0.440 54 L N 1.227 122.517 121.223 0.112 0.000 1.989 54 L HA -0.194 4.146 4.340 0.001 0.000 0.211 54 L C 2.100 179.002 176.870 0.054 0.000 1.071 54 L CA 1.996 56.894 54.840 0.096 0.000 0.749 54 L CB -1.290 40.851 42.059 0.136 0.000 0.890 54 L HN 0.250 nan 8.230 nan 0.000 0.431 55 T N -0.854 113.723 114.554 0.038 0.000 2.746 55 T HA -0.239 4.112 4.350 0.001 0.000 0.267 55 T C 1.997 176.708 174.700 0.017 0.000 1.039 55 T CA 1.592 63.707 62.100 0.024 0.000 1.142 55 T CB -0.167 68.689 68.868 -0.019 0.000 0.866 55 T HN 0.260 nan 8.240 nan 0.000 0.444 56 R N -0.381 120.105 120.500 -0.023 0.000 2.083 56 R HA -0.162 4.179 4.340 0.001 0.000 0.237 56 R C 2.296 178.614 176.300 0.032 0.000 1.137 56 R CA 1.631 57.692 56.100 -0.065 0.000 0.951 56 R CB -0.512 29.665 30.300 -0.205 0.000 0.851 56 R HN 0.527 nan 8.270 nan 0.000 0.434 57 Y N 0.886 121.144 120.300 -0.070 0.000 2.089 57 Y HA -0.210 4.341 4.550 0.002 0.000 0.282 57 Y C 1.891 177.845 175.900 0.090 0.000 1.139 57 Y CA 1.965 60.086 58.100 0.036 0.000 1.123 57 Y CB -0.431 37.757 38.460 -0.455 0.000 0.980 57 Y HN 0.030 nan 8.280 nan 0.000 0.493 58 L N 0.430 121.706 121.223 0.089 0.000 2.013 58 L HA -0.325 4.016 4.340 0.001 0.000 0.212 58 L C 2.119 178.982 176.870 -0.012 0.000 1.073 58 L CA 2.181 57.030 54.840 0.016 0.000 0.753 58 L CB -0.817 41.295 42.059 0.089 0.000 0.890 58 L HN 0.353 nan 8.230 nan 0.000 0.432 59 N N -1.419 117.305 118.700 0.040 0.000 2.166 59 N HA -0.234 4.507 4.740 0.001 0.000 0.186 59 N C 1.581 177.122 175.510 0.052 0.000 1.019 59 N CA 1.131 54.207 53.050 0.042 0.000 0.856 59 N CB -0.175 38.341 38.487 0.048 0.000 0.993 59 N HN 0.320 nan 8.380 nan 0.000 0.426 60 W N 2.358 123.593 121.300 -0.108 0.000 2.355 60 W HA -0.047 4.614 4.660 0.002 0.000 0.309 60 W C 1.575 178.017 176.519 -0.128 0.000 1.206 60 W CA 1.083 58.377 57.345 -0.086 0.000 1.284 60 W CB -0.252 29.207 29.460 -0.000 0.000 1.145 60 W HN 0.034 nan 8.180 nan 0.000 0.502 61 I N -0.854 119.610 120.570 -0.176 0.000 3.605 61 I HA 0.330 4.501 4.170 0.001 0.000 0.301 61 I C 1.462 177.461 176.117 -0.197 0.000 1.267 61 I CA 1.056 62.166 61.300 -0.317 0.000 1.236 61 I CB -0.997 36.821 38.000 -0.302 0.000 1.010 61 I HN 0.278 nan 8.210 nan 0.000 0.491 62 G N 1.063 109.782 108.800 -0.136 0.000 2.176 62 G HA2 -0.209 3.752 3.960 0.001 0.000 0.232 62 G HA3 -0.209 3.752 3.960 0.001 0.000 0.232 62 G C 0.112 175.002 174.900 -0.016 0.000 0.986 62 G CA 0.005 45.072 45.100 -0.054 0.000 0.643 62 G HN 0.298 nan 8.290 nan 0.000 0.522 63 V N 3.326 123.228 119.914 -0.020 0.000 2.320 63 V HA 0.380 4.501 4.120 0.001 0.000 0.265 63 V C -1.458 174.656 176.094 0.032 0.000 1.048 63 V CA -1.503 60.800 62.300 0.005 0.000 0.865 63 V CB 1.126 32.949 31.823 0.001 0.000 1.043 63 V HN 0.251 nan 8.190 nan 0.000 0.474 64 P HA 0.079 nan 4.420 nan 0.000 0.259 64 P C -0.117 177.290 177.300 0.178 0.000 1.211 64 P CA 0.523 63.674 63.100 0.084 0.000 0.810 64 P CB 0.290 32.005 31.700 0.026 0.000 0.815 65 T N 3.744 118.416 114.554 0.196 0.000 2.908 65 T HA 0.542 4.893 4.350 0.001 0.000 0.290 65 T C -0.443 174.329 174.700 0.120 0.000 1.034 65 T CA -0.613 61.615 62.100 0.214 0.000 1.010 65 T CB 2.277 71.215 68.868 0.117 0.000 1.068 65 T HN 0.300 nan 8.240 nan 0.000 0.481 66 K N 1.449 121.831 120.400 -0.030 0.000 2.498 66 K HA 0.647 4.968 4.320 0.001 0.000 0.254 66 K C -1.600 174.758 176.600 -0.405 0.000 0.933 66 K CA -0.667 55.376 56.287 -0.407 0.000 0.806 66 K CB 1.867 33.720 32.500 -1.078 0.000 1.301 66 K HN 0.369 nan 8.250 nan 0.000 0.432 67 V N 4.115 123.751 119.914 -0.463 0.000 2.481 67 V HA 0.437 4.558 4.120 0.001 0.000 0.286 67 V C -0.824 174.921 176.094 -0.581 0.000 1.042 67 V CA -0.399 61.710 62.300 -0.318 0.000 0.928 67 V CB 0.834 32.539 31.823 -0.197 0.000 0.986 67 V HN 0.577 nan 8.190 nan 0.000 0.462 68 F N 2.979 122.926 119.950 -0.005 0.000 2.451 68 F HA 0.375 4.903 4.527 0.001 0.000 0.367 68 F C 0.367 176.167 175.800 0.001 0.000 1.100 68 F CA -0.696 57.350 58.000 0.077 0.000 1.171 68 F CB 0.717 39.801 39.000 0.140 0.000 1.405 68 F HN 0.455 nan 8.300 nan 0.000 0.482 69 N N 1.666 120.425 118.700 0.099 0.000 2.402 69 N HA 0.158 4.899 4.740 0.001 0.000 0.252 69 N C 0.855 176.445 175.510 0.134 0.000 1.118 69 N CA -0.033 53.030 53.050 0.022 0.000 0.945 69 N CB 1.091 39.555 38.487 -0.039 0.000 1.147 69 N HN 0.341 nan 8.380 nan 0.000 0.495 70 V N 2.995 122.886 119.914 -0.037 0.000 2.867 70 V HA -0.095 4.026 4.120 0.001 0.000 0.260 70 V C 2.164 178.341 176.094 0.137 0.000 1.099 70 V CA 1.913 64.215 62.300 0.004 0.000 1.122 70 V CB -1.014 30.684 31.823 -0.208 0.000 0.708 70 V HN 0.836 nan 8.190 nan 0.000 0.490 71 G N -0.221 108.631 108.800 0.088 0.000 2.418 71 G HA2 -0.260 3.701 3.960 0.001 0.000 0.217 71 G HA3 -0.260 3.701 3.960 0.001 0.000 0.217 71 G C 1.488 176.438 174.900 0.083 0.000 1.158 71 G CA 0.838 45.996 45.100 0.097 0.000 0.771 71 G HN 0.505 nan 8.290 nan 0.000 0.545 72 E N -0.379 119.857 120.200 0.060 0.000 2.106 72 E HA -0.051 4.300 4.350 0.001 0.000 0.192 72 E C 2.064 178.655 176.600 -0.015 0.000 0.984 72 E CA 0.645 57.033 56.400 -0.019 0.000 0.806 72 E CB -0.259 29.381 29.700 -0.100 0.000 0.750 72 E HN 0.599 nan 8.360 nan 0.000 0.458 73 Y N 0.107 120.410 120.300 0.004 0.000 2.224 73 Y HA -0.169 4.382 4.550 0.001 0.000 0.289 73 Y C 2.438 178.353 175.900 0.026 0.000 1.146 73 Y CA 1.451 59.567 58.100 0.027 0.000 1.182 73 Y CB -0.106 38.385 38.460 0.052 0.000 0.983 73 Y HN -0.025 nan 8.280 nan 0.000 0.524 74 R N 0.940 121.552 120.500 0.187 0.000 2.062 74 R HA -0.122 4.219 4.340 0.001 0.000 0.231 74 R C 2.138 178.439 176.300 0.003 0.000 1.136 74 R CA 1.407 57.570 56.100 0.104 0.000 0.948 74 R CB -0.397 29.979 30.300 0.126 0.000 0.845 74 R HN 0.256 nan 8.270 nan 0.000 0.430 75 R N 0.218 120.710 120.500 -0.013 0.000 2.249 75 R HA -0.158 4.183 4.340 0.001 0.000 0.230 75 R C 1.961 178.235 176.300 -0.043 0.000 1.121 75 R CA 1.459 57.529 56.100 -0.050 0.000 0.997 75 R CB -0.022 30.245 30.300 -0.055 0.000 0.867 75 R HN 0.258 nan 8.270 nan 0.000 0.465 76 E N 0.218 120.399 120.200 -0.031 0.000 2.060 76 E HA -0.029 4.322 4.350 0.001 0.000 0.189 76 E C 1.681 178.275 176.600 -0.010 0.000 0.974 76 E CA 1.376 57.755 56.400 -0.036 0.000 0.808 76 E CB -0.077 29.584 29.700 -0.063 0.000 0.768 76 E HN 0.238 nan 8.360 nan 0.000 0.453 77 A N 0.188 123.019 122.820 0.019 0.000 1.897 77 A HA 0.003 4.324 4.320 0.001 0.000 0.215 77 A C 1.375 178.967 177.584 0.013 0.000 1.181 77 A CA 1.258 53.315 52.037 0.033 0.000 0.620 77 A CB -0.122 18.923 19.000 0.074 0.000 0.821 77 A HN 0.127 nan 8.150 nan 0.000 0.443 78 V N 1.038 120.941 119.914 -0.017 0.000 2.224 78 V HA 0.109 4.230 4.120 0.001 0.000 0.289 78 V C 0.818 176.879 176.094 -0.055 0.000 1.518 78 V CA -0.213 62.059 62.300 -0.047 0.000 1.533 78 V CB -0.817 30.922 31.823 -0.141 0.000 1.460 78 V HN 0.511 nan 8.190 nan 0.000 0.515 79 K N 1.180 121.562 120.400 -0.030 0.000 2.389 79 K HA -0.303 4.018 4.320 0.001 0.000 0.213 79 K C 1.013 177.597 176.600 -0.027 0.000 0.693 79 K CA 2.369 58.640 56.287 -0.026 0.000 1.077 79 K CB -0.617 31.871 32.500 -0.019 0.000 0.677 79 K HN 0.656 nan 8.250 nan 0.000 0.793 80 Q N -0.416 119.369 119.800 -0.024 0.000 2.309 80 Q HA 0.340 4.681 4.340 0.001 0.000 0.264 80 Q C -1.441 174.563 176.000 0.007 0.000 1.008 80 Q CA -0.782 55.019 55.803 -0.004 0.000 0.853 80 Q CB 1.020 29.755 28.738 -0.006 0.000 1.314 80 Q HN 0.288 nan 8.270 nan 0.000 0.448 81 Y N 2.450 122.677 120.300 -0.123 0.000 2.526 81 Y HA 0.116 4.667 4.550 0.001 0.000 0.330 81 Y C 0.851 176.678 175.900 -0.122 0.000 1.156 81 Y CA 1.027 59.034 58.100 -0.155 0.000 1.419 81 Y CB 0.682 39.035 38.460 -0.179 0.000 1.250 81 Y HN 0.860 nan 8.280 nan 0.000 0.540 82 S N 2.757 117.961 115.700 -0.828 0.000 2.294 82 S HA 0.396 4.867 4.470 0.001 0.000 0.182 82 S C 0.252 174.374 174.600 -0.797 0.000 1.053 82 S CA 0.489 58.299 58.200 -0.650 0.000 1.161 82 S CB -0.660 62.310 63.200 -0.384 0.000 0.890 82 S HN 0.883 nan 8.310 nan 0.000 0.448 83 S N -0.348 114.917 115.700 -0.726 0.000 2.671 83 S HA 0.292 4.763 4.470 0.001 0.000 0.270 83 S C 0.362 174.993 174.600 0.052 0.000 1.166 83 S CA -0.230 57.797 58.200 -0.289 0.000 0.868 83 S CB -0.297 62.801 63.200 -0.170 0.000 1.190 83 S HN 0.759 nan 8.310 nan 0.000 0.494 84 Y N 1.240 121.686 120.300 0.243 0.000 2.483 84 Y HA 0.106 4.657 4.550 0.001 0.000 0.291 84 Y C 1.531 177.617 175.900 0.311 0.000 1.143 84 Y CA 1.381 59.705 58.100 0.374 0.000 1.289 84 Y CB -1.039 37.554 38.460 0.222 0.000 0.983 84 Y HN 0.522 nan 8.280 nan 0.000 0.556 85 N N 0.639 119.003 118.700 -0.560 0.000 2.272 85 N HA -0.224 4.517 4.740 0.001 0.000 0.185 85 N C 1.499 176.920 175.510 -0.148 0.000 1.014 85 N CA 1.544 54.349 53.050 -0.409 0.000 0.870 85 N CB -0.657 37.588 38.487 -0.404 0.000 0.975 85 N HN 0.558 nan 8.380 nan 0.000 0.433 86 F N 0.712 120.528 119.950 -0.224 0.000 2.216 86 F HA -0.069 4.458 4.527 0.001 0.000 0.300 86 F C 0.934 176.459 175.800 -0.459 0.000 1.085 86 F CA 1.063 58.833 58.000 -0.383 0.000 1.326 86 F CB -0.145 38.516 39.000 -0.566 0.000 1.027 86 F HN -0.137 nan 8.300 nan 0.000 0.497 87 F N 0.879 120.875 119.950 0.076 0.000 2.660 87 F HA 0.297 4.824 4.527 0.001 0.000 0.297 87 F C 0.607 176.325 175.800 -0.135 0.000 1.132 87 F CA -0.355 57.627 58.000 -0.030 0.000 1.372 87 F CB -0.624 38.455 39.000 0.132 0.000 1.003 87 F HN -0.401 nan 8.300 nan 0.000 0.524 88 R N 2.399 122.880 120.500 -0.031 0.000 2.340 88 R HA 0.137 4.478 4.340 0.001 0.000 0.300 88 R C -1.314 174.924 176.300 -0.103 0.000 1.069 88 R CA -1.457 54.623 56.100 -0.033 0.000 0.984 88 R CB 0.398 30.679 30.300 -0.032 0.000 1.003 88 R HN -0.055 nan 8.270 nan 0.000 0.459 89 P HA -0.202 nan 4.420 nan 0.000 0.219 89 P C 0.122 177.374 177.300 -0.081 0.000 1.146 89 P CA 1.343 64.389 63.100 -0.091 0.000 0.808 89 P CB 0.212 31.875 31.700 -0.062 0.000 0.779 90 D N -1.857 118.502 120.400 -0.067 0.000 2.349 90 D HA -0.075 4.566 4.640 0.001 0.000 0.224 90 D C 0.606 176.853 176.300 -0.088 0.000 1.029 90 D CA 0.045 54.008 54.000 -0.063 0.000 0.879 90 D CB -1.212 39.563 40.800 -0.042 0.000 0.906 90 D HN 0.024 nan 8.370 nan 0.000 0.528 91 N N 1.988 120.611 118.700 -0.128 0.000 2.895 91 N HA -0.054 4.687 4.740 0.001 0.000 0.277 91 N C 0.907 176.309 175.510 -0.179 0.000 1.185 91 N CA 0.022 52.968 53.050 -0.174 0.000 1.106 91 N CB 0.262 38.590 38.487 -0.266 0.000 1.422 91 N HN 0.250 nan 8.380 nan 0.000 0.521 92 E N 1.329 121.455 120.200 -0.124 0.000 2.114 92 E HA -0.287 4.063 4.350 0.001 0.000 0.199 92 E C 1.091 177.622 176.600 -0.116 0.000 1.008 92 E CA 1.456 57.794 56.400 -0.103 0.000 0.810 92 E CB 0.222 29.879 29.700 -0.071 0.000 0.739 92 E HN 0.715 nan 8.360 nan 0.000 0.456 93 E N -0.485 119.638 120.200 -0.128 0.000 2.046 93 E HA -0.149 4.202 4.350 0.001 0.000 0.190 93 E C 1.947 178.438 176.600 -0.181 0.000 0.982 93 E CA 0.908 57.237 56.400 -0.118 0.000 0.800 93 E CB -0.143 29.503 29.700 -0.090 0.000 0.756 93 E HN 0.302 nan 8.360 nan 0.000 0.449 94 A N 1.218 123.836 122.820 -0.337 0.000 1.908 94 A HA -0.204 4.116 4.320 0.001 0.000 0.218 94 A C 2.208 179.528 177.584 -0.440 0.000 1.181 94 A CA 1.717 53.361 52.037 -0.656 0.000 0.627 94 A CB -0.491 17.759 19.000 -1.250 0.000 0.818 94 A HN 0.302 nan 8.150 nan 0.000 0.445 95 M N -0.344 119.072 119.600 -0.307 0.000 2.108 95 M HA -0.167 4.314 4.480 0.001 0.000 0.261 95 M C 2.124 178.366 176.300 -0.096 0.000 1.066 95 M CA 1.807 57.003 55.300 -0.174 0.000 1.107 95 M CB -1.074 31.450 32.600 -0.127 0.000 1.356 95 M HN 0.491 nan 8.290 nan 0.000 0.406 96 K N 0.322 120.669 120.400 -0.089 0.000 2.026 96 K HA -0.114 4.207 4.320 0.001 0.000 0.208 96 K C 1.885 178.480 176.600 -0.009 0.000 1.048 96 K CA 1.322 57.586 56.287 -0.038 0.000 0.929 96 K CB 0.037 32.516 32.500 -0.035 0.000 0.713 96 K HN 0.177 nan 8.250 nan 0.000 0.439 97 V N 1.304 121.211 119.914 -0.011 0.000 2.358 97 V HA -0.212 3.909 4.120 0.001 0.000 0.246 97 V C 2.382 178.533 176.094 0.095 0.000 1.047 97 V CA 1.675 64.012 62.300 0.061 0.000 1.035 97 V CB -0.498 31.402 31.823 0.127 0.000 0.658 97 V HN 0.332 nan 8.190 nan 0.000 0.452 98 R N 0.195 120.736 120.500 0.068 0.000 2.081 98 R HA -0.192 4.149 4.340 0.001 0.000 0.235 98 R C 2.427 178.782 176.300 0.092 0.000 1.131 98 R CA 1.723 57.892 56.100 0.114 0.000 0.960 98 R CB -0.345 30.002 30.300 0.078 0.000 0.856 98 R HN 0.472 nan 8.270 nan 0.000 0.436 99 K N 1.062 121.496 120.400 0.056 0.000 2.097 99 K HA -0.171 4.150 4.320 0.001 0.000 0.205 99 K C 1.939 178.570 176.600 0.052 0.000 1.050 99 K CA 1.368 57.689 56.287 0.056 0.000 0.938 99 K CB 0.148 32.669 32.500 0.036 0.000 0.718 99 K HN 0.172 nan 8.250 nan 0.000 0.442 100 Q N -0.343 119.488 119.800 0.051 0.000 2.224 100 Q HA -0.116 4.225 4.340 0.001 0.000 0.203 100 Q C 2.158 178.192 176.000 0.056 0.000 0.970 100 Q CA 1.132 56.966 55.803 0.051 0.000 0.865 100 Q CB 0.072 28.843 28.738 0.056 0.000 0.922 100 Q HN 0.407 nan 8.270 nan 0.000 0.445 101 C N -0.236 119.109 119.300 0.075 0.000 2.476 101 C HA -0.032 4.429 4.460 0.001 0.000 0.278 101 C C 2.814 177.771 174.990 -0.055 0.000 1.274 101 C CA 0.783 59.843 59.018 0.071 0.000 1.713 101 C CB -0.934 26.889 27.740 0.138 0.000 2.039 101 C HN 0.635 nan 8.230 nan 0.000 0.484 102 A N 0.265 123.095 122.820 0.017 0.000 1.902 102 A HA -0.110 4.211 4.320 0.001 0.000 0.217 102 A C 2.059 179.657 177.584 0.024 0.000 1.181 102 A CA 1.497 53.589 52.037 0.090 0.000 0.623 102 A CB -0.597 18.511 19.000 0.181 0.000 0.818 102 A HN 0.621 nan 8.150 nan 0.000 0.443 103 L N -1.055 120.154 121.223 -0.023 0.000 2.156 103 L HA -0.097 4.244 4.340 0.001 0.000 0.208 103 L C 2.984 179.796 176.870 -0.098 0.000 1.095 103 L CA 0.796 55.592 54.840 -0.073 0.000 0.770 103 L CB -0.379 41.670 42.059 -0.017 0.000 0.914 103 L HN 0.427 nan 8.230 nan 0.000 0.439 104 A N -0.033 122.738 122.820 -0.081 0.000 1.929 104 A HA -0.057 4.264 4.320 0.001 0.000 0.216 104 A C 2.518 179.999 177.584 -0.172 0.000 1.176 104 A CA 1.403 53.415 52.037 -0.042 0.000 0.628 104 A CB -0.525 18.526 19.000 0.086 0.000 0.816 104 A HN 0.355 nan 8.150 nan 0.000 0.444 105 A N -0.153 122.359 122.820 -0.513 0.000 1.898 105 A HA 0.008 4.329 4.320 0.001 0.000 0.216 105 A C 2.095 179.502 177.584 -0.295 0.000 1.181 105 A CA 1.365 53.023 52.037 -0.632 0.000 0.620 105 A CB -0.557 18.040 19.000 -0.672 0.000 0.819 105 A HN 0.455 nan 8.150 nan 0.000 0.442 106 L N -1.144 119.863 121.223 -0.360 0.000 2.201 106 L HA -0.128 4.213 4.340 0.001 0.000 0.212 106 L C 2.709 179.333 176.870 -0.409 0.000 1.105 106 L CA 1.362 55.769 54.840 -0.722 0.000 0.775 106 L CB -0.410 40.952 42.059 -1.163 0.000 0.913 106 L HN 0.468 nan 8.230 nan 0.000 0.440 107 R N 0.422 120.814 120.500 -0.180 0.000 2.070 107 R HA -0.179 4.162 4.340 0.001 0.000 0.233 107 R C 1.805 178.136 176.300 0.052 0.000 1.137 107 R CA 1.925 58.029 56.100 0.007 0.000 0.945 107 R CB -0.095 30.228 30.300 0.038 0.000 0.845 107 R HN 0.228 nan 8.270 nan 0.000 0.430 108 D N -0.167 120.262 120.400 0.048 0.000 2.218 108 D HA -0.108 4.533 4.640 0.001 0.000 0.204 108 D C 1.828 178.112 176.300 -0.027 0.000 0.976 108 D CA 0.786 54.872 54.000 0.143 0.000 0.853 108 D CB 0.068 41.098 40.800 0.383 0.000 0.939 108 D HN 0.106 nan 8.370 nan 0.000 0.481 109 V N 0.720 120.420 119.914 -0.357 0.000 2.358 109 V HA -0.202 3.919 4.120 0.001 0.000 0.246 109 V C 2.434 178.570 176.094 0.069 0.000 1.047 109 V CA 1.416 63.416 62.300 -0.501 0.000 1.035 109 V CB -0.328 31.180 31.823 -0.525 0.000 0.658 109 V HN 0.161 nan 8.190 nan 0.000 0.452 110 K N -0.139 120.428 120.400 0.278 0.000 2.103 110 K HA -0.204 4.117 4.320 0.001 0.000 0.207 110 K C 2.392 179.148 176.600 0.261 0.000 1.048 110 K CA 1.789 58.319 56.287 0.405 0.000 0.930 110 K CB -0.265 32.455 32.500 0.368 0.000 0.716 110 K HN 0.395 nan 8.250 nan 0.000 0.444 111 S N -0.650 115.175 115.700 0.208 0.000 2.428 111 S HA -0.129 4.342 4.470 0.001 0.000 0.230 111 S C 1.671 176.404 174.600 0.221 0.000 1.014 111 S CA 0.590 58.904 58.200 0.190 0.000 0.957 111 S CB -0.303 63.007 63.200 0.183 0.000 0.784 111 S HN 0.506 nan 8.310 nan 0.000 0.499 112 Y N 1.854 122.225 120.300 0.117 0.000 2.153 112 Y HA 0.185 4.736 4.550 0.002 0.000 0.289 112 Y C 1.859 177.793 175.900 0.057 0.000 1.119 112 Y CA 1.442 59.622 58.100 0.134 0.000 1.116 112 Y CB -0.457 38.164 38.460 0.268 0.000 1.004 112 Y HN 0.182 nan 8.280 nan 0.000 0.501 113 L N -0.569 120.661 121.223 0.012 0.000 2.141 113 L HA -0.119 4.222 4.340 0.001 0.000 0.209 113 L C 2.367 179.182 176.870 -0.091 0.000 1.094 113 L CA 1.269 55.980 54.840 -0.216 0.000 0.763 113 L CB -0.714 40.973 42.059 -0.619 0.000 0.908 113 L HN 0.342 nan 8.230 nan 0.000 0.437 114 A N -0.463 122.408 122.820 0.084 0.000 2.108 114 A HA 0.050 4.371 4.320 0.001 0.000 0.206 114 A C 2.034 179.651 177.584 0.056 0.000 1.212 114 A CA 0.209 52.320 52.037 0.124 0.000 0.843 114 A CB 0.219 19.349 19.000 0.217 0.000 0.902 114 A HN 0.254 nan 8.150 nan 0.000 0.477 115 K N -0.522 119.910 120.400 0.052 0.000 2.425 115 K HA 0.191 4.511 4.320 0.001 0.000 0.201 115 K C 0.523 177.131 176.600 0.014 0.000 1.128 115 K CA 0.344 56.654 56.287 0.038 0.000 1.000 115 K CB 0.655 33.193 32.500 0.064 0.000 0.961 115 K HN 0.364 nan 8.250 nan 0.000 0.555 116 E N 0.377 120.565 120.200 -0.019 0.000 2.501 116 E HA 0.096 4.447 4.350 0.001 0.000 0.201 116 E C 0.400 176.904 176.600 -0.160 0.000 1.016 116 E CA 0.097 56.468 56.400 -0.048 0.000 0.920 116 E CB 0.965 30.695 29.700 0.049 0.000 1.023 116 E HN 0.411 nan 8.360 nan 0.000 0.474 117 G N 1.435 110.124 108.800 -0.185 0.000 2.148 117 G HA2 -0.269 3.692 3.960 0.001 0.000 0.254 117 G HA3 -0.269 3.692 3.960 0.001 0.000 0.254 117 G C 0.539 175.245 174.900 -0.324 0.000 0.981 117 G CA -0.102 44.883 45.100 -0.191 0.000 0.670 117 G HN 0.449 nan 8.290 nan 0.000 0.528 118 G N -1.242 107.163 108.800 -0.659 0.000 2.539 118 G HA2 0.496 4.457 3.960 0.001 0.000 0.258 118 G HA3 0.496 4.457 3.960 0.001 0.000 0.258 118 G C 0.501 175.174 174.900 -0.378 0.000 1.202 118 G CA 0.820 45.362 45.100 -0.930 0.000 0.851 118 G HN 0.431 nan 8.290 nan 0.000 0.556 119 Q N -0.461 119.251 119.800 -0.147 0.000 2.511 119 Q HA 0.201 4.542 4.340 0.001 0.000 0.236 119 Q C 0.519 176.515 176.000 -0.007 0.000 0.893 119 Q CA 0.611 56.373 55.803 -0.068 0.000 0.947 119 Q CB 0.400 29.121 28.738 -0.028 0.000 1.110 119 Q HN 0.416 nan 8.270 nan 0.000 0.591 120 I N 1.217 121.854 120.570 0.112 0.000 2.509 120 I HA 0.682 4.853 4.170 0.001 0.000 0.293 120 I C -0.998 175.285 176.117 0.277 0.000 1.020 120 I CA -1.065 60.317 61.300 0.137 0.000 1.088 120 I CB 1.326 39.395 38.000 0.116 0.000 1.267 120 I HN 0.112 nan 8.210 nan 0.000 0.430 121 A N 6.339 129.295 122.820 0.226 0.000 2.332 121 A HA 0.686 5.007 4.320 0.001 0.000 0.300 121 A C -0.758 176.996 177.584 0.283 0.000 1.153 121 A CA -0.516 51.723 52.037 0.337 0.000 0.764 121 A CB 1.143 20.271 19.000 0.212 0.000 1.174 121 A HN 0.394 nan 8.150 nan 0.000 0.467 122 V N 2.999 123.104 119.914 0.319 0.000 2.368 122 V HA 0.220 4.341 4.120 0.001 0.000 0.266 122 V C -0.433 175.866 176.094 0.342 0.000 1.045 122 V CA -0.154 62.297 62.300 0.251 0.000 0.899 122 V CB 0.450 32.364 31.823 0.151 0.000 1.006 122 V HN 0.741 nan 8.190 nan 0.000 0.470 123 F N 4.553 124.562 119.950 0.099 0.000 2.462 123 F HA 0.352 4.880 4.527 0.002 0.000 0.354 123 F C 0.496 176.331 175.800 0.057 0.000 1.192 123 F CA -1.272 56.768 58.000 0.066 0.000 1.173 123 F CB 0.342 39.326 39.000 -0.027 0.000 1.402 123 F HN 0.552 nan 8.300 nan 0.000 0.595 124 D N 4.813 125.128 120.400 -0.143 0.000 2.422 124 D HA 0.538 5.179 4.640 0.001 0.000 0.227 124 D C -0.710 175.431 176.300 -0.266 0.000 1.190 124 D CA 0.246 54.160 54.000 -0.143 0.000 0.905 124 D CB 0.292 41.049 40.800 -0.071 0.000 1.034 124 D HN 0.602 nan 8.370 nan 0.000 0.507 125 A N 2.120 124.803 122.820 -0.229 0.000 2.599 125 A HA 0.501 4.822 4.320 0.001 0.000 0.290 125 A C 1.136 178.673 177.584 -0.078 0.000 1.101 125 A CA -0.108 51.814 52.037 -0.192 0.000 0.674 125 A CB 0.605 19.405 19.000 -0.334 0.000 1.277 125 A HN 0.360 nan 8.150 nan 0.000 0.419 126 T N -1.296 113.218 114.554 -0.066 0.000 2.777 126 T HA -0.072 4.279 4.350 0.001 0.000 0.266 126 T C 0.655 175.377 174.700 0.038 0.000 1.040 126 T CA 1.224 63.266 62.100 -0.096 0.000 1.141 126 T CB -0.570 68.145 68.868 -0.256 0.000 0.868 126 T HN 0.917 nan 8.240 nan 0.000 0.444 127 N N 2.135 120.911 118.700 0.128 0.000 2.702 127 N HA -0.150 4.591 4.740 0.001 0.000 0.255 127 N C 0.669 176.314 175.510 0.226 0.000 0.983 127 N CA 1.209 54.386 53.050 0.213 0.000 0.768 127 N CB -1.606 37.039 38.487 0.263 0.000 0.918 127 N HN 0.884 nan 8.380 nan 0.000 0.540 128 T N -4.003 110.686 114.554 0.226 0.000 3.148 128 T HA 0.040 4.391 4.350 0.001 0.000 0.253 128 T C 1.054 175.969 174.700 0.357 0.000 1.134 128 T CA 0.642 62.934 62.100 0.319 0.000 1.051 128 T CB 0.093 69.106 68.868 0.243 0.000 0.959 128 T HN 0.453 nan 8.240 nan 0.000 0.525 129 T N -1.369 113.339 114.554 0.256 0.000 2.887 129 T HA 0.515 4.866 4.350 0.001 0.000 0.288 129 T C 0.907 175.714 174.700 0.178 0.000 1.021 129 T CA -1.194 61.024 62.100 0.197 0.000 1.000 129 T CB 2.296 71.262 68.868 0.163 0.000 1.034 129 T HN -0.004 nan 8.240 nan 0.000 0.467 130 R N 0.584 121.172 120.500 0.146 0.000 2.096 130 R HA -0.086 4.255 4.340 0.001 0.000 0.235 130 R C 2.312 178.759 176.300 0.246 0.000 1.127 130 R CA 1.627 57.839 56.100 0.187 0.000 0.968 130 R CB -0.277 30.113 30.300 0.151 0.000 0.861 130 R HN 0.908 nan 8.270 nan 0.000 0.440 131 E N 1.220 121.511 120.200 0.152 0.000 2.033 131 E HA -0.305 4.046 4.350 0.001 0.000 0.199 131 E C 2.088 178.794 176.600 0.176 0.000 1.011 131 E CA 1.603 58.078 56.400 0.126 0.000 0.815 131 E CB -0.018 29.726 29.700 0.073 0.000 0.755 131 E HN 0.034 nan 8.360 nan 0.000 0.451 132 R N 0.858 121.463 120.500 0.175 0.000 2.083 132 R HA -0.119 4.222 4.340 0.001 0.000 0.237 132 R C 2.416 178.850 176.300 0.224 0.000 1.137 132 R CA 1.986 58.200 56.100 0.191 0.000 0.951 132 R CB -0.369 30.056 30.300 0.207 0.000 0.851 132 R HN 0.168 nan 8.270 nan 0.000 0.434 133 R N -1.232 119.419 120.500 0.251 0.000 2.073 133 R HA -0.143 4.198 4.340 0.001 0.000 0.234 133 R C 2.358 178.795 176.300 0.228 0.000 1.134 133 R CA 1.980 58.249 56.100 0.282 0.000 0.952 133 R CB -0.645 29.796 30.300 0.234 0.000 0.850 133 R HN 0.439 nan 8.270 nan 0.000 0.433 134 H N 0.276 119.434 119.070 0.147 0.000 2.387 134 H HA -0.146 4.411 4.556 0.001 0.000 0.299 134 H C 2.058 177.477 175.328 0.151 0.000 1.099 134 H CA 2.104 58.229 56.048 0.128 0.000 1.315 134 H CB -0.073 29.733 29.762 0.073 0.000 1.380 134 H HN 0.150 nan 8.280 nan 0.000 0.513 135 M N -0.100 119.649 119.600 0.250 0.000 2.117 135 M HA -0.155 4.326 4.480 0.001 0.000 0.262 135 M C 1.669 178.094 176.300 0.208 0.000 1.065 135 M CA 1.743 57.167 55.300 0.206 0.000 1.114 135 M CB -0.036 32.652 32.600 0.146 0.000 1.361 135 M HN 0.255 nan 8.290 nan 0.000 0.408 136 I N 0.200 120.861 120.570 0.152 0.000 2.252 136 I HA -0.291 3.880 4.170 0.001 0.000 0.245 136 I C 2.226 178.459 176.117 0.194 0.000 1.102 136 I CA 0.629 61.982 61.300 0.089 0.000 1.385 136 I CB -0.614 37.383 38.000 -0.006 0.000 1.064 136 I HN 0.338 nan 8.210 nan 0.000 0.414 137 L N 0.453 121.802 121.223 0.208 0.000 1.990 137 L HA -0.295 4.046 4.340 0.001 0.000 0.213 137 L C 2.712 179.687 176.870 0.175 0.000 1.072 137 L CA 2.186 57.139 54.840 0.188 0.000 0.755 137 L CB -1.814 40.319 42.059 0.124 0.000 0.889 137 L HN 0.356 nan 8.230 nan 0.000 0.432 138 H N -0.606 118.528 119.070 0.107 0.000 2.319 138 H HA -0.280 4.277 4.556 0.001 0.000 0.297 138 H C 2.083 177.441 175.328 0.050 0.000 1.097 138 H CA 2.192 58.286 56.048 0.077 0.000 1.285 138 H CB -0.497 29.323 29.762 0.096 0.000 1.368 138 H HN 0.229 nan 8.280 nan 0.000 0.495 139 F N 0.803 120.701 119.950 -0.085 0.000 2.091 139 F HA -0.242 4.287 4.527 0.002 0.000 0.299 139 F C 2.510 178.181 175.800 -0.216 0.000 1.103 139 F CA 2.097 59.988 58.000 -0.181 0.000 1.228 139 F CB -1.020 37.904 39.000 -0.126 0.000 0.984 139 F HN 0.268 nan 8.300 nan 0.000 0.477 140 A N 0.023 122.749 122.820 -0.156 0.000 1.877 140 A HA -0.220 4.101 4.320 0.001 0.000 0.216 140 A C 2.150 179.549 177.584 -0.307 0.000 1.186 140 A CA 1.906 53.821 52.037 -0.203 0.000 0.620 140 A CB -0.876 18.182 19.000 0.097 0.000 0.822 140 A HN 0.387 nan 8.150 nan 0.000 0.443 141 K N 0.823 121.110 120.400 -0.189 0.000 2.113 141 K HA -0.206 4.115 4.320 0.001 0.000 0.208 141 K C 1.878 178.309 176.600 -0.282 0.000 1.047 141 K CA 2.119 58.306 56.287 -0.166 0.000 0.928 141 K CB -0.282 32.180 32.500 -0.064 0.000 0.716 141 K HN 0.793 nan 8.250 nan 0.000 0.446 142 E N -1.479 118.460 120.200 -0.434 0.000 2.318 142 E HA -0.045 4.306 4.350 0.001 0.000 0.193 142 E C 0.893 177.174 176.600 -0.532 0.000 0.998 142 E CA 0.593 56.730 56.400 -0.439 0.000 0.859 142 E CB -0.035 29.377 29.700 -0.481 0.000 0.812 142 E HN 0.206 nan 8.360 nan 0.000 0.492 143 N N 1.112 119.316 118.700 -0.827 0.000 2.236 143 N HA -0.012 4.729 4.740 0.001 0.000 0.196 143 N C -0.711 174.173 175.510 -1.043 0.000 1.114 143 N CA 0.518 52.905 53.050 -1.106 0.000 0.859 143 N CB 0.422 37.790 38.487 -1.865 0.000 0.982 143 N HN 0.120 nan 8.380 nan 0.000 0.493 144 D N 0.052 120.086 120.400 -0.610 0.000 2.737 144 D HA -0.157 4.484 4.640 0.001 0.000 0.243 144 D C -1.170 175.140 176.300 0.017 0.000 1.109 144 D CA 0.639 54.491 54.000 -0.247 0.000 0.702 144 D CB -1.454 39.261 40.800 -0.142 0.000 1.068 144 D HN 0.268 nan 8.370 nan 0.000 0.432 145 F N -0.048 119.839 119.950 -0.106 0.000 2.561 145 F HA 0.463 4.991 4.527 0.001 0.000 0.321 145 F C 1.243 177.031 175.800 -0.019 0.000 1.065 145 F CA -1.472 56.492 58.000 -0.061 0.000 0.934 145 F CB 1.531 40.482 39.000 -0.083 0.000 1.215 145 F HN -0.397 nan 8.300 nan 0.000 0.471 146 K N 1.277 121.805 120.400 0.213 0.000 2.098 146 K HA 0.717 5.038 4.320 0.001 0.000 0.257 146 K C -0.835 175.860 176.600 0.158 0.000 0.999 146 K CA -0.741 55.639 56.287 0.156 0.000 0.924 146 K CB 1.509 34.084 32.500 0.125 0.000 1.028 146 K HN 0.637 nan 8.250 nan 0.000 0.466 147 A N 2.265 125.188 122.820 0.172 0.000 2.357 147 A HA 0.489 4.810 4.320 0.001 0.000 0.295 147 A C -1.666 176.053 177.584 0.225 0.000 1.121 147 A CA -0.563 51.548 52.037 0.122 0.000 0.742 147 A CB 0.281 19.360 19.000 0.132 0.000 1.181 147 A HN 0.594 nan 8.150 nan 0.000 0.454 148 F N 3.090 123.015 119.950 -0.042 0.000 2.467 148 F HA 0.809 5.337 4.527 0.002 0.000 0.336 148 F C -1.583 174.204 175.800 -0.021 0.000 1.123 148 F CA -1.643 56.407 58.000 0.083 0.000 0.964 148 F CB 1.037 40.086 39.000 0.081 0.000 1.136 148 F HN 0.440 nan 8.300 nan 0.000 0.447 149 F N 6.343 125.928 119.950 -0.608 0.000 2.450 149 F HA 0.611 5.138 4.527 0.001 0.000 0.332 149 F C -0.282 175.166 175.800 -0.586 0.000 1.093 149 F CA -0.964 56.785 58.000 -0.418 0.000 1.003 149 F CB 1.489 40.379 39.000 -0.183 0.000 1.151 149 F HN 0.201 nan 8.300 nan 0.000 0.474 150 I N 2.228 122.745 120.570 -0.088 0.000 2.439 150 I HA 0.268 4.439 4.170 0.001 0.000 0.283 150 I C -0.696 175.470 176.117 0.082 0.000 1.023 150 I CA -0.449 60.839 61.300 -0.020 0.000 1.100 150 I CB 1.742 39.778 38.000 0.061 0.000 1.238 150 I HN 0.603 nan 8.210 nan 0.000 0.445 151 E N 4.417 124.672 120.200 0.092 0.000 2.179 151 E HA 0.451 4.802 4.350 0.001 0.000 0.275 151 E C -1.119 175.536 176.600 0.092 0.000 0.945 151 E CA -0.445 56.019 56.400 0.107 0.000 0.792 151 E CB 1.871 31.642 29.700 0.118 0.000 1.125 151 E HN 0.448 nan 8.360 nan 0.000 0.397 152 S N 3.464 119.210 115.700 0.076 0.000 2.566 152 S HA 0.388 4.859 4.470 0.001 0.000 0.324 152 S C -1.155 173.470 174.600 0.042 0.000 1.081 152 S CA -0.606 57.624 58.200 0.050 0.000 1.105 152 S CB 0.715 63.940 63.200 0.041 0.000 0.981 152 S HN 0.333 nan 8.310 nan 0.000 0.464 153 V N 4.571 124.507 119.914 0.037 0.000 2.417 153 V HA 0.649 4.770 4.120 0.001 0.000 0.291 153 V C -0.243 175.858 176.094 0.011 0.000 1.024 153 V CA -0.661 61.670 62.300 0.052 0.000 0.861 153 V CB 1.067 32.932 31.823 0.070 0.000 0.985 153 V HN 0.948 nan 8.190 nan 0.000 0.436 154 C N 4.181 123.490 119.300 0.014 0.000 2.968 154 C HA 0.401 4.861 4.460 0.001 0.000 0.389 154 C C -0.471 174.520 174.990 0.002 0.000 1.068 154 C CA -0.572 58.442 59.018 -0.007 0.000 1.272 154 C CB 0.745 28.468 27.740 -0.028 0.000 1.711 154 C HN 0.916 nan 8.230 nan 0.000 0.501 155 D N 2.745 123.150 120.400 0.008 0.000 2.738 155 D HA 0.162 4.803 4.640 0.001 0.000 0.246 155 D C -0.088 176.212 176.300 -0.000 0.000 1.270 155 D CA 0.362 54.370 54.000 0.013 0.000 0.833 155 D CB 0.329 41.145 40.800 0.026 0.000 1.040 155 D HN 0.676 nan 8.370 nan 0.000 0.487 156 D N 1.732 122.125 120.400 -0.011 0.000 2.396 156 D HA 0.074 4.715 4.640 0.001 0.000 0.225 156 D C -1.314 174.975 176.300 -0.019 0.000 1.121 156 D CA -1.965 52.025 54.000 -0.017 0.000 0.853 156 D CB 2.274 43.059 40.800 -0.026 0.000 1.043 156 D HN -0.048 nan 8.370 nan 0.000 0.500 157 P HA -0.156 nan 4.420 nan 0.000 0.216 157 P C 1.264 178.549 177.300 -0.024 0.000 1.150 157 P CA 1.070 64.161 63.100 -0.015 0.000 0.843 157 P CB 0.335 32.028 31.700 -0.011 0.000 0.787 158 T N 0.039 114.576 114.554 -0.028 0.000 2.777 158 T HA -0.060 4.290 4.350 0.001 0.000 0.266 158 T C 2.021 176.693 174.700 -0.047 0.000 1.040 158 T CA 1.261 63.339 62.100 -0.036 0.000 1.141 158 T CB -0.828 68.019 68.868 -0.034 0.000 0.868 158 T HN -0.100 nan 8.240 nan 0.000 0.444 159 V N 1.287 121.172 119.914 -0.048 0.000 2.270 159 V HA -0.145 3.976 4.120 0.001 0.000 0.245 159 V C 2.688 178.742 176.094 -0.066 0.000 1.043 159 V CA 1.349 63.612 62.300 -0.062 0.000 1.014 159 V CB -0.766 31.021 31.823 -0.059 0.000 0.645 159 V HN 0.297 nan 8.190 nan 0.000 0.447 160 V N 0.454 120.340 119.914 -0.047 0.000 2.287 160 V HA -0.305 3.816 4.120 0.001 0.000 0.248 160 V C 2.727 178.794 176.094 -0.045 0.000 1.053 160 V CA 2.174 64.453 62.300 -0.035 0.000 1.027 160 V CB -1.294 30.524 31.823 -0.009 0.000 0.646 160 V HN 0.565 nan 8.190 nan 0.000 0.447 161 A N -0.621 122.172 122.820 -0.044 0.000 1.865 161 A HA -0.270 4.051 4.320 0.001 0.000 0.217 161 A C 2.574 180.106 177.584 -0.087 0.000 1.191 161 A CA 2.432 54.436 52.037 -0.054 0.000 0.623 161 A CB -0.981 17.992 19.000 -0.045 0.000 0.826 161 A HN 0.484 nan 8.150 nan 0.000 0.444 162 S N -0.161 115.486 115.700 -0.089 0.000 2.370 162 S HA -0.222 4.249 4.470 0.001 0.000 0.226 162 S C 1.887 176.400 174.600 -0.145 0.000 1.033 162 S CA 1.797 59.932 58.200 -0.109 0.000 1.011 162 S CB -0.749 62.391 63.200 -0.101 0.000 0.852 162 S HN 0.738 nan 8.310 nan 0.000 0.457 163 N N 0.575 119.186 118.700 -0.148 0.000 2.084 163 N HA -0.054 4.687 4.740 0.001 0.000 0.190 163 N C 1.789 177.159 175.510 -0.234 0.000 1.030 163 N CA 1.639 54.577 53.050 -0.187 0.000 0.849 163 N CB -0.315 38.080 38.487 -0.153 0.000 1.012 163 N HN 0.408 nan 8.380 nan 0.000 0.423 164 I N 0.994 121.427 120.570 -0.229 0.000 2.335 164 I HA -0.271 3.900 4.170 0.001 0.000 0.251 164 I C 2.145 178.062 176.117 -0.333 0.000 1.129 164 I CA 0.908 61.995 61.300 -0.355 0.000 1.402 164 I CB -0.135 37.726 38.000 -0.231 0.000 1.069 164 I HN 0.242 nan 8.210 nan 0.000 0.424 165 M N -0.333 119.130 119.600 -0.230 0.000 2.193 165 M HA -0.151 4.330 4.480 0.001 0.000 0.265 165 M C 2.229 178.412 176.300 -0.194 0.000 1.071 165 M CA 1.506 56.689 55.300 -0.195 0.000 1.140 165 M CB -1.162 31.352 32.600 -0.143 0.000 1.369 165 M HN 0.239 nan 8.290 nan 0.000 0.423 166 E N 0.676 120.754 120.200 -0.203 0.000 2.150 166 E HA -0.116 4.235 4.350 0.001 0.000 0.193 166 E C 1.360 177.820 176.600 -0.234 0.000 0.985 166 E CA 1.494 57.770 56.400 -0.207 0.000 0.814 166 E CB 0.393 29.957 29.700 -0.227 0.000 0.752 166 E HN 0.381 nan 8.360 nan 0.000 0.466 167 V N -3.372 116.385 119.914 -0.262 0.000 3.372 167 V HA 0.322 4.443 4.120 0.001 0.000 0.304 167 V C 0.938 176.937 176.094 -0.158 0.000 1.530 167 V CA -0.506 61.665 62.300 -0.215 0.000 1.080 167 V CB 0.775 32.387 31.823 -0.352 0.000 0.929 167 V HN -0.059 nan 8.190 nan 0.000 0.455 168 K N 1.007 121.227 120.400 -0.299 0.000 2.266 168 K HA 0.487 4.807 4.320 0.001 0.000 0.209 168 K C 1.796 178.195 176.600 -0.335 0.000 1.065 168 K CA 1.088 57.129 56.287 -0.410 0.000 0.946 168 K CB -0.245 31.693 32.500 -0.937 0.000 1.069 168 K HN 0.433 nan 8.250 nan 0.000 0.472 169 I N 2.751 123.085 120.570 -0.393 0.000 2.623 169 I HA -0.252 3.919 4.170 0.001 0.000 0.261 169 I C 1.681 177.724 176.117 -0.124 0.000 1.204 169 I CA 1.465 62.562 61.300 -0.338 0.000 1.444 169 I CB -0.226 37.619 38.000 -0.257 0.000 1.094 169 I HN 0.131 nan 8.210 nan 0.000 0.451 170 S N -1.924 113.733 115.700 -0.072 0.000 2.523 170 S HA 0.128 4.599 4.470 0.001 0.000 0.217 170 S C 0.991 175.620 174.600 0.048 0.000 0.996 170 S CA -0.314 57.885 58.200 -0.002 0.000 0.921 170 S CB -0.057 63.130 63.200 -0.022 0.000 0.829 170 S HN 0.301 nan 8.310 nan 0.000 0.495 171 S N 3.534 119.277 115.700 0.071 0.000 2.559 171 S HA 0.111 4.582 4.470 0.001 0.000 0.282 171 S C -1.062 173.591 174.600 0.088 0.000 1.336 171 S CA -0.663 57.592 58.200 0.091 0.000 1.037 171 S CB 0.580 63.853 63.200 0.123 0.000 0.853 171 S HN 0.251 nan 8.310 nan 0.000 0.523 172 P HA -0.055 nan 4.420 nan 0.000 0.225 172 P C 0.439 177.727 177.300 -0.020 0.000 1.148 172 P CA 0.843 63.947 63.100 0.007 0.000 0.779 172 P CB 0.005 31.694 31.700 -0.018 0.000 0.780 173 D N -0.589 119.748 120.400 -0.105 0.000 2.144 173 D HA -0.121 4.519 4.640 0.001 0.000 0.200 173 D C 0.930 177.095 176.300 -0.224 0.000 0.978 173 D CA 1.205 54.998 54.000 -0.344 0.000 0.833 173 D CB -0.565 39.652 40.800 -0.971 0.000 0.961 173 D HN 0.356 nan 8.370 nan 0.000 0.470 174 Y N 0.993 121.325 120.300 0.053 0.000 2.746 174 Y HA 0.133 4.684 4.550 0.001 0.000 0.312 174 Y C 1.688 177.631 175.900 0.073 0.000 1.117 174 Y CA -0.465 57.702 58.100 0.111 0.000 1.324 174 Y CB -0.073 38.437 38.460 0.084 0.000 1.173 174 Y HN -0.049 nan 8.280 nan 0.000 0.529 175 K N -0.650 119.835 120.400 0.141 0.000 2.218 175 K HA -0.160 4.161 4.320 0.001 0.000 0.205 175 K C -0.143 176.513 176.600 0.093 0.000 1.046 175 K CA 1.869 58.213 56.287 0.095 0.000 0.933 175 K CB 0.046 32.580 32.500 0.057 0.000 0.728 175 K HN 0.243 nan 8.250 nan 0.000 0.454 176 D N 0.612 121.077 120.400 0.108 0.000 3.068 176 D HA 0.206 4.847 4.640 0.001 0.000 0.327 176 D C -0.978 175.395 176.300 0.122 0.000 1.361 176 D CA -0.246 53.809 54.000 0.091 0.000 0.877 176 D CB 0.489 41.328 40.800 0.065 0.000 1.088 176 D HN 0.142 nan 8.370 nan 0.000 0.489 177 C N 0.508 119.901 119.300 0.155 0.000 3.173 177 C HA 0.362 4.823 4.460 0.001 0.000 0.310 177 C C -0.346 174.715 174.990 0.118 0.000 1.306 177 C CA -0.934 58.190 59.018 0.176 0.000 1.426 177 C CB 1.756 29.696 27.740 0.333 0.000 1.800 177 C HN 0.511 nan 8.230 nan 0.000 0.470 178 N N 0.091 118.843 118.700 0.086 0.000 2.483 178 N HA 0.430 5.171 4.740 0.001 0.000 0.285 178 N C 0.483 176.002 175.510 0.016 0.000 1.210 178 N CA -0.563 52.513 53.050 0.042 0.000 0.931 178 N CB 0.526 39.033 38.487 0.034 0.000 1.220 178 N HN 0.443 nan 8.380 nan 0.000 0.542 179 S N -0.272 115.419 115.700 -0.015 0.000 2.359 179 S HA -0.253 4.218 4.470 0.001 0.000 0.223 179 S C 1.936 176.516 174.600 -0.033 0.000 1.039 179 S CA 1.614 59.786 58.200 -0.047 0.000 1.042 179 S CB -0.977 62.194 63.200 -0.048 0.000 0.915 179 S HN 0.744 nan 8.310 nan 0.000 0.439 180 A N 2.127 124.943 122.820 -0.008 0.000 1.917 180 A HA -0.243 4.078 4.320 0.001 0.000 0.219 180 A C 2.168 179.766 177.584 0.024 0.000 1.182 180 A CA 1.914 53.954 52.037 0.004 0.000 0.633 180 A CB -0.610 18.397 19.000 0.012 0.000 0.819 180 A HN 0.797 nan 8.150 nan 0.000 0.448 181 E N -0.663 119.566 120.200 0.048 0.000 2.102 181 E HA 0.150 4.501 4.350 0.001 0.000 0.190 181 E C 2.144 178.820 176.600 0.127 0.000 0.971 181 E CA 0.756 57.212 56.400 0.093 0.000 0.821 181 E CB -0.533 29.238 29.700 0.118 0.000 0.777 181 E HN 0.425 nan 8.360 nan 0.000 0.460 182 A N 1.992 124.861 122.820 0.081 0.000 1.883 182 A HA -0.196 4.125 4.320 0.001 0.000 0.217 182 A C 2.305 179.814 177.584 -0.124 0.000 1.186 182 A CA 2.183 54.180 52.037 -0.067 0.000 0.624 182 A CB -0.654 18.122 19.000 -0.374 0.000 0.822 182 A HN 0.343 nan 8.150 nan 0.000 0.444 183 M N 0.299 119.839 119.600 -0.100 0.000 2.267 183 M HA -0.151 4.329 4.480 0.001 0.000 0.263 183 M C 1.447 177.767 176.300 0.033 0.000 1.063 183 M CA 2.295 57.562 55.300 -0.056 0.000 1.090 183 M CB -0.602 31.965 32.600 -0.056 0.000 1.392 183 M HN 0.542 nan 8.290 nan 0.000 0.422 184 D N -0.786 119.647 120.400 0.055 0.000 2.162 184 D HA -0.171 4.470 4.640 0.001 0.000 0.205 184 D C 1.522 177.872 176.300 0.084 0.000 0.964 184 D CA 1.134 55.167 54.000 0.055 0.000 0.847 184 D CB -0.146 40.682 40.800 0.046 0.000 0.988 184 D HN 0.508 nan 8.370 nan 0.000 0.480 185 D N -0.174 120.346 120.400 0.201 0.000 2.144 185 D HA -0.191 4.450 4.640 0.001 0.000 0.199 185 D C 1.968 178.456 176.300 0.313 0.000 0.984 185 D CA 0.598 54.794 54.000 0.328 0.000 0.834 185 D CB -0.274 40.872 40.800 0.577 0.000 0.955 185 D HN 0.180 nan 8.370 nan 0.000 0.465 186 F N 0.542 120.590 119.950 0.164 0.000 2.206 186 F HA -0.083 4.444 4.527 0.001 0.000 0.298 186 F C 2.390 178.204 175.800 0.023 0.000 1.090 186 F CA 0.691 58.751 58.000 0.100 0.000 1.323 186 F CB -0.085 38.907 39.000 -0.014 0.000 1.028 186 F HN -0.108 nan 8.300 nan 0.000 0.492 187 M N 0.196 119.861 119.600 0.107 0.000 2.117 187 M HA -0.208 4.273 4.480 0.001 0.000 0.262 187 M C 2.020 178.273 176.300 -0.078 0.000 1.065 187 M CA 1.652 56.962 55.300 0.015 0.000 1.114 187 M CB -1.141 31.466 32.600 0.012 0.000 1.361 187 M HN 0.101 nan 8.290 nan 0.000 0.408 188 K N -0.694 119.621 120.400 -0.142 0.000 2.097 188 K HA -0.139 4.182 4.320 0.001 0.000 0.205 188 K C 2.143 178.669 176.600 -0.124 0.000 1.050 188 K CA 0.959 57.081 56.287 -0.275 0.000 0.938 188 K CB -0.229 31.787 32.500 -0.806 0.000 0.718 188 K HN 0.248 nan 8.250 nan 0.000 0.442 189 R N 1.300 121.752 120.500 -0.080 0.000 2.091 189 R HA -0.100 4.241 4.340 0.001 0.000 0.238 189 R C 2.186 178.423 176.300 -0.105 0.000 1.136 189 R CA 1.264 57.310 56.100 -0.090 0.000 0.959 189 R CB -0.174 29.888 30.300 -0.396 0.000 0.856 189 R HN 0.150 nan 8.270 nan 0.000 0.437 190 I N 0.458 120.910 120.570 -0.198 0.000 2.252 190 I HA -0.251 3.920 4.170 0.001 0.000 0.245 190 I C 2.338 178.472 176.117 0.029 0.000 1.102 190 I CA 1.440 62.677 61.300 -0.105 0.000 1.385 190 I CB -0.299 37.636 38.000 -0.108 0.000 1.064 190 I HN 0.314 nan 8.210 nan 0.000 0.414 191 S N -0.136 115.567 115.700 0.005 0.000 2.442 191 S HA -0.190 4.281 4.470 0.001 0.000 0.236 191 S C 2.107 176.743 174.600 0.059 0.000 1.007 191 S CA 1.020 59.236 58.200 0.026 0.000 0.965 191 S CB -1.045 62.149 63.200 -0.011 0.000 0.773 191 S HN 0.458 nan 8.310 nan 0.000 0.504 192 C N 0.654 120.000 119.300 0.077 0.000 2.432 192 C HA 0.022 4.482 4.460 0.001 0.000 0.277 192 C C 2.334 177.312 174.990 -0.020 0.000 1.249 192 C CA 0.602 59.639 59.018 0.031 0.000 1.725 192 C CB -1.583 26.167 27.740 0.017 0.000 2.028 192 C HN 0.697 nan 8.230 nan 0.000 0.477 193 Y N 0.990 121.297 120.300 0.012 0.000 2.457 193 Y HA -0.039 4.512 4.550 0.001 0.000 0.292 193 Y C 2.331 178.265 175.900 0.057 0.000 1.125 193 Y CA 0.819 58.931 58.100 0.019 0.000 1.254 193 Y CB -0.698 37.731 38.460 -0.052 0.000 1.012 193 Y HN 0.454 nan 8.280 nan 0.000 0.555 194 E N 0.222 120.540 120.200 0.197 0.000 2.085 194 E HA -0.256 4.095 4.350 0.001 0.000 0.194 194 E C 2.399 179.107 176.600 0.180 0.000 0.994 194 E CA 1.091 57.604 56.400 0.189 0.000 0.801 194 E CB -0.228 29.546 29.700 0.124 0.000 0.743 194 E HN 0.495 nan 8.360 nan 0.000 0.453 195 A N 1.471 124.362 122.820 0.119 0.000 1.858 195 A HA -0.169 4.152 4.320 0.001 0.000 0.216 195 A C 2.276 179.918 177.584 0.097 0.000 1.190 195 A CA 1.925 54.014 52.037 0.086 0.000 0.617 195 A CB -0.457 18.574 19.000 0.053 0.000 0.827 195 A HN 0.311 nan 8.150 nan 0.000 0.443 196 S N -2.027 113.741 115.700 0.113 0.000 2.593 196 S HA 0.101 4.572 4.470 0.001 0.000 0.217 196 S C 0.376 175.092 174.600 0.193 0.000 0.966 196 S CA -0.263 58.007 58.200 0.116 0.000 0.914 196 S CB -0.485 62.767 63.200 0.087 0.000 0.776 196 S HN 0.436 nan 8.310 nan 0.000 0.523 197 Y N 3.643 123.992 120.300 0.080 0.000 2.496 197 Y HA 0.319 4.870 4.550 0.001 0.000 0.334 197 Y C -0.084 175.853 175.900 0.060 0.000 1.080 197 Y CA -1.034 57.119 58.100 0.088 0.000 1.355 197 Y CB -0.052 38.464 38.460 0.092 0.000 1.193 197 Y HN 0.266 nan 8.280 nan 0.000 0.523 198 Q N 9.345 129.098 119.800 -0.078 0.000 2.523 198 Q HA 0.310 4.651 4.340 0.001 0.000 0.251 198 Q C -2.377 173.442 176.000 -0.303 0.000 1.033 198 Q CA -2.240 53.422 55.803 -0.234 0.000 0.746 198 Q CB 1.267 29.981 28.738 -0.039 0.000 1.189 198 Q HN 0.536 nan 8.270 nan 0.000 0.508 199 P HA -0.079 nan 4.420 nan 0.000 0.270 199 P C -0.228 177.012 177.300 -0.099 0.000 1.227 199 P CA -0.046 62.884 63.100 -0.283 0.000 0.788 199 P CB 1.053 32.564 31.700 -0.315 0.000 0.926 200 L N 1.108 122.317 121.223 -0.025 0.000 2.485 200 L HA 0.079 4.420 4.340 0.001 0.000 0.275 200 L C 1.010 177.848 176.870 -0.054 0.000 1.207 200 L CA 0.681 55.488 54.840 -0.054 0.000 0.855 200 L CB -0.228 41.797 42.059 -0.056 0.000 1.114 200 L HN 0.371 nan 8.230 nan 0.000 0.485 201 D N 4.106 124.471 120.400 -0.059 0.000 2.412 201 D HA 0.210 4.851 4.640 0.001 0.000 0.276 201 D C -1.679 174.601 176.300 -0.034 0.000 1.196 201 D CA -1.826 52.149 54.000 -0.041 0.000 0.905 201 D CB 1.229 42.006 40.800 -0.038 0.000 1.081 201 D HN 0.190 nan 8.370 nan 0.000 0.502 202 P HA -0.014 nan 4.420 nan 0.000 0.234 202 P C 0.136 177.438 177.300 0.003 0.000 1.167 202 P CA 0.606 63.701 63.100 -0.008 0.000 0.763 202 P CB 0.679 32.386 31.700 0.012 0.000 0.835 203 D N -0.888 119.513 120.400 0.001 0.000 2.398 203 D HA 0.119 4.760 4.640 0.001 0.000 0.210 203 D C 1.260 177.562 176.300 0.002 0.000 1.094 203 D CA 0.276 54.280 54.000 0.006 0.000 0.839 203 D CB 0.864 41.668 40.800 0.008 0.000 0.963 203 D HN 0.310 nan 8.370 nan 0.000 0.506 204 K N -0.664 119.734 120.400 -0.004 0.000 3.149 204 K HA 0.119 4.440 4.320 0.001 0.000 0.270 204 K C 1.503 178.102 176.600 -0.002 0.000 1.757 204 K CA -0.252 56.033 56.287 -0.002 0.000 1.163 204 K CB -0.339 32.157 32.500 -0.006 0.000 2.516 204 K HN -0.051 nan 8.250 nan 0.000 0.565 205 C N 2.733 122.030 119.300 -0.005 0.000 2.422 205 C HA -0.021 4.440 4.460 0.001 0.000 0.279 205 C C 0.829 175.813 174.990 -0.010 0.000 1.305 205 C CA 1.104 60.125 59.018 0.005 0.000 1.757 205 C CB -0.815 26.932 27.740 0.011 0.000 1.962 205 C HN 0.383 nan 8.230 nan 0.000 0.499 206 D N 0.034 120.411 120.400 -0.038 0.000 2.427 206 D HA 0.083 4.724 4.640 0.001 0.000 0.224 206 D C 1.683 177.954 176.300 -0.048 0.000 1.157 206 D CA -0.010 53.944 54.000 -0.076 0.000 0.828 206 D CB -0.064 40.659 40.800 -0.129 0.000 0.974 206 D HN 0.582 nan 8.370 nan 0.000 0.498 207 R N 0.619 121.109 120.500 -0.016 0.000 2.117 207 R HA -0.113 4.228 4.340 0.001 0.000 0.243 207 R C 1.057 177.365 176.300 0.012 0.000 1.143 207 R CA 1.102 57.204 56.100 0.003 0.000 0.968 207 R CB -0.509 29.798 30.300 0.011 0.000 0.863 207 R HN 0.013 nan 8.270 nan 0.000 0.444 208 D N -0.151 120.253 120.400 0.006 0.000 2.348 208 D HA 0.060 4.701 4.640 0.001 0.000 0.211 208 D C -0.158 176.161 176.300 0.033 0.000 0.998 208 D CA 0.236 54.250 54.000 0.024 0.000 0.873 208 D CB 0.038 40.853 40.800 0.025 0.000 0.925 208 D HN 0.042 nan 8.370 nan 0.000 0.524 209 L N 0.980 122.199 121.223 -0.007 0.000 2.349 209 L HA 0.125 4.466 4.340 0.001 0.000 0.275 209 L C 0.466 177.389 176.870 0.089 0.000 1.115 209 L CA 0.072 54.915 54.840 0.004 0.000 0.820 209 L CB 1.300 43.228 42.059 -0.218 0.000 1.135 209 L HN -0.306 nan 8.230 nan 0.000 0.445 210 S N 4.896 120.727 115.700 0.219 0.000 2.439 210 S HA 0.705 5.176 4.470 0.001 0.000 0.282 210 S C -0.500 174.283 174.600 0.306 0.000 1.170 210 S CA -0.485 57.907 58.200 0.320 0.000 1.054 210 S CB 0.093 63.552 63.200 0.432 0.000 0.956 210 S HN 0.419 nan 8.310 nan 0.000 0.490 211 L N 1.324 122.663 121.223 0.194 0.000 2.671 211 L HA 0.752 5.093 4.340 0.001 0.000 0.259 211 L C -1.154 175.743 176.870 0.046 0.000 1.021 211 L CA -0.953 53.834 54.840 -0.087 0.000 0.871 211 L CB 1.572 43.605 42.059 -0.044 0.000 1.472 211 L HN 0.548 nan 8.230 nan 0.000 0.410 212 I N 1.184 121.725 120.570 -0.048 0.000 2.499 212 I HA 0.515 4.686 4.170 0.001 0.000 0.288 212 I C -1.242 174.954 176.117 0.130 0.000 1.048 212 I CA -0.578 60.819 61.300 0.162 0.000 1.062 212 I CB 1.614 39.808 38.000 0.322 0.000 1.238 212 I HN 0.871 nan 8.210 nan 0.000 0.426 213 K N 7.798 128.294 120.400 0.160 0.000 2.316 213 K HA 0.464 4.785 4.320 0.001 0.000 0.267 213 K C -1.610 175.062 176.600 0.120 0.000 1.025 213 K CA -0.545 55.812 56.287 0.117 0.000 0.896 213 K CB 1.394 33.941 32.500 0.079 0.000 1.124 213 K HN 0.513 nan 8.250 nan 0.000 0.451 214 V N 6.698 126.669 119.914 0.095 0.000 2.432 214 V HA 0.286 4.407 4.120 0.001 0.000 0.271 214 V C 0.160 176.180 176.094 -0.123 0.000 1.046 214 V CA -0.433 61.843 62.300 -0.040 0.000 0.945 214 V CB 0.646 32.508 31.823 0.064 0.000 0.992 214 V HN 0.656 nan 8.190 nan 0.000 0.471 215 I N 3.939 124.351 120.570 -0.263 0.000 2.433 215 I HA 0.445 4.616 4.170 0.001 0.000 0.292 215 I C -0.022 175.981 176.117 -0.190 0.000 1.001 215 I CA -0.635 60.563 61.300 -0.169 0.000 1.119 215 I CB 1.600 39.523 38.000 -0.130 0.000 1.289 215 I HN 0.556 nan 8.210 nan 0.000 0.438 216 D N 5.353 125.687 120.400 -0.111 0.000 2.697 216 D HA -0.142 4.499 4.640 0.001 0.000 0.235 216 D C 0.396 176.631 176.300 -0.108 0.000 1.167 216 D CA 0.661 54.605 54.000 -0.094 0.000 0.656 216 D CB -0.790 39.962 40.800 -0.081 0.000 1.025 216 D HN 0.523 nan 8.370 nan 0.000 0.419 217 V N -2.140 117.712 119.914 -0.103 0.000 5.325 217 V HA -0.226 3.895 4.120 0.001 0.000 0.291 217 V C 1.717 177.755 176.094 -0.093 0.000 0.541 217 V CA 2.028 64.278 62.300 -0.083 0.000 0.687 217 V CB -2.072 29.711 31.823 -0.066 0.000 0.491 217 V HN 1.267 nan 8.190 nan 0.000 1.145 218 G N -0.459 108.199 108.800 -0.237 0.000 2.157 218 G HA2 -0.356 3.605 3.960 0.001 0.000 0.239 218 G HA3 -0.356 3.605 3.960 0.001 0.000 0.239 218 G C 0.556 175.241 174.900 -0.358 0.000 0.982 218 G CA 0.877 45.756 45.100 -0.367 0.000 0.650 218 G HN 0.827 nan 8.290 nan 0.000 0.527 219 R N 0.170 120.507 120.500 -0.272 0.000 2.092 219 R HA 0.183 4.523 4.340 0.001 0.000 0.231 219 R C 1.311 177.510 176.300 -0.169 0.000 1.119 219 R CA 1.875 57.887 56.100 -0.147 0.000 0.970 219 R CB -0.002 30.236 30.300 -0.103 0.000 0.864 219 R HN 0.547 nan 8.270 nan 0.000 0.440 220 R N -1.235 119.049 120.500 -0.361 0.000 2.707 220 R HA 0.330 4.671 4.340 0.001 0.000 0.272 220 R C -1.660 174.354 176.300 -0.477 0.000 1.011 220 R CA -0.636 55.324 56.100 -0.233 0.000 0.893 220 R CB 0.945 31.192 30.300 -0.088 0.000 1.233 220 R HN -0.019 nan 8.270 nan 0.000 0.464 221 F N 2.668 122.650 119.950 0.053 0.000 2.576 221 F HA 0.525 5.053 4.527 0.002 0.000 0.313 221 F C -0.657 175.182 175.800 0.065 0.000 1.078 221 F CA -0.820 57.219 58.000 0.066 0.000 0.921 221 F CB 2.090 41.139 39.000 0.081 0.000 1.232 221 F HN 0.205 nan 8.300 nan 0.000 0.459 222 L N 3.668 125.044 121.223 0.254 0.000 2.377 222 L HA 0.693 5.034 4.340 0.001 0.000 0.270 222 L C -1.609 175.370 176.870 0.180 0.000 0.991 222 L CA -0.582 54.359 54.840 0.169 0.000 0.851 222 L CB 1.070 43.192 42.059 0.105 0.000 1.218 222 L HN 0.435 nan 8.230 nan 0.000 0.420 223 V N 4.301 124.320 119.914 0.175 0.000 2.472 223 V HA 0.439 4.560 4.120 0.001 0.000 0.290 223 V C -0.150 176.034 176.094 0.151 0.000 1.037 223 V CA -0.661 61.748 62.300 0.183 0.000 0.908 223 V CB 1.722 33.651 31.823 0.175 0.000 0.985 223 V HN 0.688 nan 8.190 nan 0.000 0.454 224 N N 5.289 124.089 118.700 0.167 0.000 2.483 224 N HA 0.479 5.220 4.740 0.001 0.000 0.267 224 N C 0.353 175.960 175.510 0.162 0.000 0.998 224 N CA -0.321 52.809 53.050 0.135 0.000 0.918 224 N CB 1.263 39.809 38.487 0.098 0.000 1.215 224 N HN 0.826 nan 8.380 nan 0.000 0.500 225 R N 1.192 121.770 120.500 0.129 0.000 3.694 225 R HA -0.203 4.138 4.340 0.001 0.000 0.137 225 R C -0.614 175.760 176.300 0.124 0.000 0.662 225 R CA 0.871 57.046 56.100 0.125 0.000 1.054 225 R CB -1.760 28.626 30.300 0.143 0.000 0.853 225 R HN 0.529 nan 8.270 nan 0.000 0.612 226 V N 1.256 121.263 119.914 0.154 0.000 3.161 226 V HA -0.158 3.963 4.120 0.001 0.000 0.456 226 V C 0.867 177.000 176.094 0.065 0.000 0.682 226 V CA 1.193 63.547 62.300 0.091 0.000 1.992 226 V CB -0.575 31.282 31.823 0.055 0.000 2.464 226 V HN 0.728 nan 8.190 nan 0.000 0.494 227 Q N 1.656 121.488 119.800 0.053 0.000 2.376 227 Q HA 0.197 4.538 4.340 0.001 0.000 0.206 227 Q C 0.413 176.442 176.000 0.048 0.000 0.921 227 Q CA 1.171 57.010 55.803 0.061 0.000 0.911 227 Q CB 0.488 29.276 28.738 0.083 0.000 1.032 227 Q HN 1.041 nan 8.270 nan 0.000 0.510 228 D N -2.310 118.107 120.400 0.028 0.000 2.768 228 D HA -0.035 4.606 4.640 0.001 0.000 0.327 228 D C 0.280 176.632 176.300 0.088 0.000 1.302 228 D CA -0.611 53.437 54.000 0.079 0.000 0.897 228 D CB -0.194 40.678 40.800 0.119 0.000 1.420 228 D HN 0.115 nan 8.370 nan 0.000 0.494 229 H N -1.031 118.026 119.070 -0.022 0.000 2.423 229 H HA 0.025 4.582 4.556 0.002 0.000 0.297 229 H C 1.645 176.962 175.328 -0.019 0.000 1.075 229 H CA 0.876 56.914 56.048 -0.017 0.000 1.342 229 H CB -0.034 29.726 29.762 -0.004 0.000 1.395 229 H HN 0.217 nan 8.280 nan 0.000 0.530 230 I N 1.351 121.588 120.570 -0.555 0.000 2.226 230 I HA -0.241 3.930 4.170 0.001 0.000 0.245 230 I C 2.267 178.227 176.117 -0.261 0.000 1.100 230 I CA 1.512 62.530 61.300 -0.471 0.000 1.374 230 I CB -0.417 37.376 38.000 -0.346 0.000 1.057 230 I HN 0.392 nan 8.210 nan 0.000 0.413 231 Q N -1.212 118.426 119.800 -0.270 0.000 2.230 231 Q HA -0.143 4.198 4.340 0.001 0.000 0.202 231 Q C 2.375 178.190 176.000 -0.309 0.000 0.963 231 Q CA 1.342 56.867 55.803 -0.464 0.000 0.866 231 Q CB -0.082 28.319 28.738 -0.563 0.000 0.931 231 Q HN 0.471 nan 8.270 nan 0.000 0.452 232 S N 0.077 115.690 115.700 -0.145 0.000 2.355 232 S HA -0.114 4.357 4.470 0.001 0.000 0.222 232 S C 1.861 176.466 174.600 0.008 0.000 1.031 232 S CA 0.782 58.953 58.200 -0.047 0.000 0.993 232 S CB 0.108 63.307 63.200 -0.000 0.000 0.859 232 S HN 0.249 nan 8.310 nan 0.000 0.453 233 R N 0.954 121.462 120.500 0.013 0.000 2.070 233 R HA -0.009 4.332 4.340 0.001 0.000 0.232 233 R C 2.301 178.671 176.300 0.116 0.000 1.138 233 R CA 1.595 57.765 56.100 0.117 0.000 0.936 233 R CB -1.412 28.957 30.300 0.114 0.000 0.839 233 R HN 0.504 nan 8.270 nan 0.000 0.429 234 I N 0.824 121.413 120.570 0.031 0.000 2.143 234 I HA -0.336 3.835 4.170 0.001 0.000 0.245 234 I C 2.460 178.657 176.117 0.133 0.000 1.068 234 I CA 1.519 62.856 61.300 0.062 0.000 1.326 234 I CB -0.524 37.483 38.000 0.012 0.000 1.028 234 I HN -0.069 nan 8.210 nan 0.000 0.412 235 V N 0.076 120.045 119.914 0.092 0.000 2.255 235 V HA -0.337 3.784 4.120 0.001 0.000 0.247 235 V C 2.291 178.444 176.094 0.099 0.000 1.051 235 V CA 2.172 64.546 62.300 0.123 0.000 1.018 235 V CB -0.965 30.915 31.823 0.095 0.000 0.641 235 V HN 0.374 nan 8.190 nan 0.000 0.445 236 Y N 0.113 120.402 120.300 -0.018 0.000 2.114 236 Y HA -0.344 4.207 4.550 0.002 0.000 0.282 236 Y C 2.495 178.383 175.900 -0.019 0.000 1.165 236 Y CA 1.836 59.920 58.100 -0.027 0.000 1.148 236 Y CB -0.897 37.573 38.460 0.015 0.000 0.972 236 Y HN 0.362 nan 8.280 nan 0.000 0.504 237 Y N 0.147 120.324 120.300 -0.204 0.000 2.128 237 Y HA -0.278 4.273 4.550 0.002 0.000 0.284 237 Y C 2.306 178.083 175.900 -0.206 0.000 1.154 237 Y CA 2.163 60.056 58.100 -0.346 0.000 1.149 237 Y CB -0.704 37.492 38.460 -0.440 0.000 0.976 237 Y HN 0.153 nan 8.280 nan 0.000 0.505 238 L N -0.677 120.513 121.223 -0.055 0.000 2.131 238 L HA -0.259 4.082 4.340 0.001 0.000 0.210 238 L C 2.334 179.162 176.870 -0.070 0.000 1.092 238 L CA 1.401 56.227 54.840 -0.024 0.000 0.759 238 L CB -0.508 41.651 42.059 0.167 0.000 0.903 238 L HN 0.307 nan 8.230 nan 0.000 0.435 239 M N -0.772 118.656 119.600 -0.287 0.000 2.619 239 M HA -0.058 4.423 4.480 0.001 0.000 0.251 239 M C 1.174 177.375 176.300 -0.164 0.000 1.106 239 M CA 0.791 55.840 55.300 -0.418 0.000 1.086 239 M CB -0.065 32.168 32.600 -0.612 0.000 1.465 239 M HN 0.271 nan 8.290 nan 0.000 0.506 240 N N 0.425 118.983 118.700 -0.237 0.000 2.332 240 N HA 0.210 4.951 4.740 0.001 0.000 0.190 240 N C 0.560 175.992 175.510 -0.130 0.000 1.117 240 N CA 0.167 53.096 53.050 -0.203 0.000 0.883 240 N CB 0.814 39.085 38.487 -0.359 0.000 1.089 240 N HN 0.363 nan 8.380 nan 0.000 0.480 241 I N 0.005 120.431 120.570 -0.241 0.000 2.886 241 I HA 0.272 4.443 4.170 0.001 0.000 0.299 241 I C 0.468 176.615 176.117 0.051 0.000 1.044 241 I CA -0.375 60.818 61.300 -0.180 0.000 1.310 241 I CB 0.973 38.756 38.000 -0.362 0.000 1.441 241 I HN 0.007 nan 8.210 nan 0.000 0.578 242 H N 2.402 121.472 119.070 -0.001 0.000 2.928 242 H HA 0.484 5.041 4.556 0.001 0.000 0.285 242 H C -0.630 174.718 175.328 0.032 0.000 1.438 242 H CA -0.381 55.680 56.048 0.022 0.000 1.176 242 H CB 1.697 31.469 29.762 0.017 0.000 1.864 242 H HN 0.493 nan 8.280 nan 0.000 0.567 243 V N -2.460 117.479 119.914 0.042 0.000 3.330 243 V HA 0.250 4.371 4.120 0.001 0.000 0.309 243 V C 0.102 176.220 176.094 0.041 0.000 1.481 243 V CA -0.373 61.888 62.300 -0.066 0.000 1.068 243 V CB 0.178 31.908 31.823 -0.155 0.000 0.935 243 V HN 0.390 nan 8.190 nan 0.000 0.453 244 Q N 3.420 123.407 119.800 0.313 0.000 2.361 244 Q HA 0.338 4.678 4.340 0.001 0.000 0.276 244 Q C -2.297 173.784 176.000 0.136 0.000 1.022 244 Q CA -1.251 54.668 55.803 0.194 0.000 0.898 244 Q CB 0.561 29.401 28.738 0.170 0.000 1.246 244 Q HN 0.393 nan 8.270 nan 0.000 0.410 245 P HA 0.152 nan 4.420 nan 0.000 0.271 245 P C -1.067 176.256 177.300 0.039 0.000 1.216 245 P CA -0.244 62.867 63.100 0.019 0.000 0.771 245 P CB 0.964 32.658 31.700 -0.010 0.000 0.864 246 R N 0.610 121.121 120.500 0.019 0.000 2.756 246 R HA 0.784 5.125 4.340 0.001 0.000 0.273 246 R C -1.259 175.004 176.300 -0.062 0.000 1.030 246 R CA -0.745 55.361 56.100 0.011 0.000 0.887 246 R CB -0.466 29.880 30.300 0.077 0.000 1.274 246 R HN 0.270 nan 8.270 nan 0.000 0.461 247 T N 0.430 114.923 114.554 -0.103 0.000 2.893 247 T HA 0.645 4.996 4.350 0.001 0.000 0.293 247 T C -0.529 173.973 174.700 -0.329 0.000 1.027 247 T CA -0.645 61.292 62.100 -0.272 0.000 0.988 247 T CB 1.184 69.826 68.868 -0.378 0.000 1.043 247 T HN 0.438 nan 8.240 nan 0.000 0.461 248 I N 3.013 123.307 120.570 -0.460 0.000 2.411 248 I HA 0.365 4.536 4.170 0.001 0.000 0.284 248 I C -1.192 174.658 176.117 -0.445 0.000 1.012 248 I CA -0.881 60.183 61.300 -0.395 0.000 1.119 248 I CB 1.038 38.767 38.000 -0.451 0.000 1.261 248 I HN 0.600 nan 8.210 nan 0.000 0.448 249 Y N 6.424 126.637 120.300 -0.144 0.000 2.342 249 Y HA 0.642 5.193 4.550 0.001 0.000 0.334 249 Y C -0.100 175.734 175.900 -0.110 0.000 1.067 249 Y CA -0.711 57.338 58.100 -0.086 0.000 1.128 249 Y CB 1.225 39.692 38.460 0.011 0.000 1.200 249 Y HN 0.298 nan 8.280 nan 0.000 0.464 250 L N 4.299 125.550 121.223 0.045 0.000 2.386 250 L HA 0.801 5.142 4.340 0.001 0.000 0.271 250 L C -0.763 176.125 176.870 0.030 0.000 0.993 250 L CA -0.769 54.077 54.840 0.010 0.000 0.819 250 L CB 1.823 43.862 42.059 -0.032 0.000 1.294 250 L HN 0.914 nan 8.230 nan 0.000 0.414 251 C N 0.721 120.039 119.300 0.030 0.000 3.312 251 C HA 0.641 5.102 4.460 0.001 0.000 0.332 251 C C -0.556 174.427 174.990 -0.012 0.000 1.340 251 C CA -1.154 57.880 59.018 0.026 0.000 1.265 251 C CB 2.095 29.899 27.740 0.107 0.000 1.563 251 C HN 0.940 nan 8.230 nan 0.000 0.471 252 R N 0.378 120.821 120.500 -0.096 0.000 2.549 252 R HA 0.607 4.947 4.340 0.001 0.000 0.259 252 R C -0.043 176.141 176.300 -0.193 0.000 1.095 252 R CA -0.390 55.555 56.100 -0.259 0.000 1.148 252 R CB 0.470 30.505 30.300 -0.442 0.000 1.181 252 R HN 0.952 nan 8.270 nan 0.000 0.571 253 H N -1.200 117.842 119.070 -0.047 0.000 2.745 253 H HA 0.271 4.828 4.556 0.002 0.000 0.373 253 H C 0.584 176.017 175.328 0.175 0.000 1.226 253 H CA -0.351 55.727 56.048 0.049 0.000 1.435 253 H CB -0.037 29.686 29.762 -0.064 0.000 1.461 253 H HN 0.697 nan 8.280 nan 0.000 0.616 254 G N 0.105 109.220 108.800 0.525 0.000 2.594 254 G HA2 0.045 4.006 3.960 0.001 0.000 0.243 254 G HA3 0.045 4.006 3.960 0.001 0.000 0.243 254 G C -0.308 174.882 174.900 0.483 0.000 1.229 254 G CA -0.538 44.941 45.100 0.633 0.000 0.843 254 G HN 0.913 nan 8.290 nan 0.000 0.578 255 E N -0.133 120.318 120.200 0.418 0.000 2.508 255 E HA -0.015 4.336 4.350 0.001 0.000 0.266 255 E C 0.248 176.987 176.600 0.231 0.000 1.010 255 E CA 0.311 56.850 56.400 0.230 0.000 0.955 255 E CB 0.224 30.023 29.700 0.166 0.000 0.946 255 E HN 0.634 nan 8.360 nan 0.000 0.454 256 N N 1.654 120.461 118.700 0.178 0.000 2.571 256 N HA 0.096 4.837 4.740 0.001 0.000 0.273 256 N C 0.175 175.762 175.510 0.127 0.000 1.340 256 N CA -0.650 52.471 53.050 0.118 0.000 0.789 256 N CB 0.868 39.365 38.487 0.017 0.000 1.514 256 N HN 0.315 nan 8.380 nan 0.000 0.499 257 E N 0.091 120.367 120.200 0.126 0.000 2.108 257 E HA -0.295 4.056 4.350 0.001 0.000 0.203 257 E C 0.943 177.611 176.600 0.114 0.000 1.022 257 E CA 2.033 58.502 56.400 0.115 0.000 0.823 257 E CB -0.675 29.096 29.700 0.118 0.000 0.744 257 E HN 0.663 nan 8.360 nan 0.000 0.456 258 H N 0.786 119.870 119.070 0.023 0.000 2.387 258 H HA -0.027 4.530 4.556 0.001 0.000 0.299 258 H C 1.958 177.316 175.328 0.050 0.000 1.090 258 H CA 1.303 57.366 56.048 0.026 0.000 1.332 258 H CB -0.166 29.601 29.762 0.008 0.000 1.386 258 H HN 0.141 nan 8.280 nan 0.000 0.516 259 N N 0.341 119.153 118.700 0.187 0.000 2.104 259 N HA -0.126 4.615 4.740 0.001 0.000 0.190 259 N C 1.974 177.546 175.510 0.103 0.000 1.024 259 N CA 0.981 54.120 53.050 0.147 0.000 0.853 259 N CB -0.353 38.220 38.487 0.143 0.000 1.008 259 N HN 0.329 nan 8.380 nan 0.000 0.424 260 L N 1.140 122.414 121.223 0.085 0.000 2.046 260 L HA -0.150 4.190 4.340 0.001 0.000 0.208 260 L C 2.059 178.955 176.870 0.044 0.000 1.077 260 L CA 1.196 56.072 54.840 0.059 0.000 0.747 260 L CB -0.394 41.697 42.059 0.052 0.000 0.896 260 L HN 0.161 nan 8.230 nan 0.000 0.432 261 Q N -0.044 119.769 119.800 0.023 0.000 2.444 261 Q HA 0.056 4.397 4.340 0.001 0.000 0.206 261 Q C 1.163 177.182 176.000 0.032 0.000 0.948 261 Q CA 0.517 56.319 55.803 -0.001 0.000 0.946 261 Q CB 0.291 28.985 28.738 -0.074 0.000 1.027 261 Q HN 0.628 nan 8.270 nan 0.000 0.513 262 G N 2.102 110.947 108.800 0.074 0.000 2.249 262 G HA2 -0.311 3.649 3.960 0.001 0.000 0.273 262 G HA3 -0.311 3.649 3.960 0.001 0.000 0.273 262 G C -0.281 174.689 174.900 0.116 0.000 1.036 262 G CA 0.145 45.321 45.100 0.127 0.000 0.824 262 G HN 0.215 nan 8.290 nan 0.000 0.504 263 R N -0.301 120.246 120.500 0.079 0.000 2.407 263 R HA 0.637 4.978 4.340 0.001 0.000 0.303 263 R C 1.275 177.642 176.300 0.111 0.000 0.981 263 R CA -0.610 55.525 56.100 0.059 0.000 0.905 263 R CB 1.234 31.526 30.300 -0.013 0.000 1.099 263 R HN 0.562 nan 8.270 nan 0.000 0.459 264 I N -0.753 119.807 120.570 -0.017 0.000 2.834 264 I HA 0.592 4.762 4.170 0.001 0.000 0.305 264 I C 0.855 176.938 176.117 -0.056 0.000 1.008 264 I CA -0.025 61.235 61.300 -0.066 0.000 1.273 264 I CB 0.819 38.671 38.000 -0.245 0.000 1.432 264 I HN 0.771 nan 8.210 nan 0.000 0.557 265 G N 2.663 111.392 108.800 -0.119 0.000 2.582 265 G HA2 0.161 4.122 3.960 0.001 0.000 0.288 265 G HA3 0.161 4.122 3.960 0.001 0.000 0.288 265 G C 0.523 175.277 174.900 -0.245 0.000 1.247 265 G CA 0.221 45.211 45.100 -0.183 0.000 0.972 265 G HN 2.607 nan 8.290 nan 0.000 0.557 266 G N -1.339 107.313 108.800 -0.246 0.000 2.855 266 G HA2 0.303 4.264 3.960 0.001 0.000 0.352 266 G HA3 0.303 4.264 3.960 0.001 0.000 0.352 266 G C -0.225 174.448 174.900 -0.379 0.000 1.415 266 G CA 1.009 45.893 45.100 -0.360 0.000 0.871 266 G HN 2.147 nan 8.290 nan 0.000 0.543 267 D N -0.424 119.773 120.400 -0.339 0.000 2.879 267 D HA 0.484 5.125 4.640 0.001 0.000 0.351 267 D C 0.918 177.119 176.300 -0.165 0.000 1.239 267 D CA 0.627 54.502 54.000 -0.209 0.000 0.771 267 D CB -0.135 40.600 40.800 -0.108 0.000 1.176 267 D HN 0.824 nan 8.370 nan 0.000 0.496 268 S N -1.041 114.516 115.700 -0.240 0.000 2.655 268 S HA 0.791 5.262 4.470 0.001 0.000 0.265 268 S C 0.872 175.455 174.600 -0.027 0.000 1.240 268 S CA -0.494 57.680 58.200 -0.042 0.000 0.986 268 S CB 1.600 64.907 63.200 0.178 0.000 0.985 268 S HN 0.200 nan 8.310 nan 0.000 0.562 269 G N -0.399 108.417 108.800 0.027 0.000 2.461 269 G HA2 0.557 4.518 3.960 0.001 0.000 0.329 269 G HA3 0.557 4.518 3.960 0.001 0.000 0.329 269 G C -0.324 174.603 174.900 0.045 0.000 1.170 269 G CA -1.312 43.803 45.100 0.025 0.000 0.935 269 G HN 0.783 nan 8.290 nan 0.000 0.492 270 L N 0.718 121.974 121.223 0.056 0.000 2.516 270 L HA 0.142 4.482 4.340 0.001 0.000 0.288 270 L C 1.463 178.388 176.870 0.092 0.000 1.246 270 L CA -0.114 54.783 54.840 0.095 0.000 0.844 270 L CB 0.418 42.538 42.059 0.102 0.000 1.106 270 L HN 0.691 nan 8.230 nan 0.000 0.509 271 S N -0.142 115.627 115.700 0.115 0.000 2.719 271 S HA 0.225 4.696 4.470 0.001 0.000 0.285 271 S C 1.128 175.783 174.600 0.091 0.000 1.137 271 S CA -0.172 58.087 58.200 0.098 0.000 1.012 271 S CB 1.424 64.689 63.200 0.109 0.000 1.134 271 S HN 0.685 nan 8.310 nan 0.000 0.544 272 S N 0.852 116.597 115.700 0.076 0.000 2.382 272 S HA -0.152 4.319 4.470 0.001 0.000 0.228 272 S C 1.795 176.437 174.600 0.071 0.000 1.027 272 S CA 0.901 59.138 58.200 0.061 0.000 0.991 272 S CB -0.639 62.591 63.200 0.050 0.000 0.823 272 S HN 0.741 nan 8.310 nan 0.000 0.469 273 R N 1.372 121.933 120.500 0.101 0.000 2.062 273 R HA 0.127 4.468 4.340 0.001 0.000 0.229 273 R C 2.848 179.233 176.300 0.142 0.000 1.128 273 R CA 1.048 57.221 56.100 0.121 0.000 0.960 273 R CB -1.166 29.246 30.300 0.187 0.000 0.855 273 R HN 0.532 nan 8.270 nan 0.000 0.432 274 G N 1.875 110.806 108.800 0.218 0.000 2.513 274 G HA2 -0.313 3.648 3.960 0.001 0.000 0.219 274 G HA3 -0.313 3.648 3.960 0.001 0.000 0.219 274 G C 1.181 176.196 174.900 0.192 0.000 1.160 274 G CA 1.008 46.285 45.100 0.294 0.000 0.767 274 G HN 0.273 nan 8.290 nan 0.000 0.571 275 K N 0.359 120.820 120.400 0.102 0.000 2.057 275 K HA -0.014 4.307 4.320 0.001 0.000 0.206 275 K C 2.564 179.157 176.600 -0.012 0.000 1.050 275 K CA 1.122 57.431 56.287 0.036 0.000 0.935 275 K CB -0.149 32.368 32.500 0.027 0.000 0.715 275 K HN 0.210 nan 8.250 nan 0.000 0.439 276 K N 0.493 120.893 120.400 -0.002 0.000 2.032 276 K HA -0.187 4.134 4.320 0.001 0.000 0.209 276 K C 2.006 178.552 176.600 -0.090 0.000 1.048 276 K CA 1.703 57.966 56.287 -0.040 0.000 0.927 276 K CB -0.314 32.172 32.500 -0.022 0.000 0.712 276 K HN 0.084 nan 8.250 nan 0.000 0.441 277 F N 1.665 121.449 119.950 -0.276 0.000 2.126 277 F HA -0.190 4.337 4.527 0.001 0.000 0.299 277 F C 2.057 177.733 175.800 -0.207 0.000 1.096 277 F CA 1.351 59.111 58.000 -0.399 0.000 1.255 277 F CB -0.614 37.921 39.000 -0.775 0.000 0.997 277 F HN -0.016 nan 8.300 nan 0.000 0.479 278 A N -0.835 121.697 122.820 -0.481 0.000 1.978 278 A HA -0.192 4.129 4.320 0.001 0.000 0.220 278 A C 2.421 179.776 177.584 -0.382 0.000 1.170 278 A CA 1.908 53.639 52.037 -0.510 0.000 0.636 278 A CB -1.391 17.488 19.000 -0.202 0.000 0.810 278 A HN 0.483 nan 8.150 nan 0.000 0.448 279 S N -0.745 114.803 115.700 -0.253 0.000 2.371 279 S HA 0.052 4.523 4.470 0.001 0.000 0.224 279 S C 2.183 176.670 174.600 -0.187 0.000 1.029 279 S CA 1.306 59.402 58.200 -0.173 0.000 0.978 279 S CB -0.408 62.727 63.200 -0.108 0.000 0.833 279 S HN 0.776 nan 8.310 nan 0.000 0.466 280 A N 1.313 123.997 122.820 -0.226 0.000 1.933 280 A HA -0.000 4.321 4.320 0.001 0.000 0.218 280 A C 2.091 179.562 177.584 -0.188 0.000 1.175 280 A CA 1.538 53.472 52.037 -0.172 0.000 0.628 280 A CB -0.849 18.065 19.000 -0.145 0.000 0.814 280 A HN 0.548 nan 8.150 nan 0.000 0.444 281 L N -0.203 120.782 121.223 -0.397 0.000 2.079 281 L HA -0.128 4.213 4.340 0.001 0.000 0.210 281 L C 2.572 179.356 176.870 -0.144 0.000 1.081 281 L CA 2.456 57.096 54.840 -0.334 0.000 0.752 281 L CB -0.680 41.008 42.059 -0.620 0.000 0.896 281 L HN 0.347 nan 8.230 nan 0.000 0.433 282 S N -0.786 114.813 115.700 -0.169 0.000 2.356 282 S HA -0.270 4.201 4.470 0.001 0.000 0.223 282 S C 2.207 176.764 174.600 -0.072 0.000 1.032 282 S CA 1.716 59.851 58.200 -0.109 0.000 1.005 282 S CB -0.342 62.796 63.200 -0.104 0.000 0.867 282 S HN 0.539 nan 8.310 nan 0.000 0.449 283 K N -0.681 119.684 120.400 -0.059 0.000 2.097 283 K HA -0.141 4.179 4.320 0.001 0.000 0.206 283 K C 1.953 178.540 176.600 -0.021 0.000 1.049 283 K CA 1.548 57.812 56.287 -0.039 0.000 0.933 283 K CB -0.376 32.108 32.500 -0.028 0.000 0.717 283 K HN 0.458 nan 8.250 nan 0.000 0.442 284 F N 1.259 121.129 119.950 -0.133 0.000 2.075 284 F HA -0.226 4.302 4.527 0.002 0.000 0.297 284 F C 1.927 177.627 175.800 -0.165 0.000 1.113 284 F CA 1.416 59.338 58.000 -0.131 0.000 1.218 284 F CB -0.477 38.442 39.000 -0.135 0.000 0.984 284 F HN -0.221 nan 8.300 nan 0.000 0.472 285 V N 0.472 120.313 119.914 -0.121 0.000 2.324 285 V HA -0.346 3.774 4.120 0.001 0.000 0.250 285 V C 2.392 178.332 176.094 -0.256 0.000 1.060 285 V CA 2.338 64.484 62.300 -0.258 0.000 1.042 285 V CB -0.844 30.887 31.823 -0.153 0.000 0.650 285 V HN 0.425 nan 8.190 nan 0.000 0.450 286 E N 0.414 120.510 120.200 -0.173 0.000 2.038 286 E HA -0.273 4.078 4.350 0.001 0.000 0.195 286 E C 2.131 178.631 176.600 -0.167 0.000 1.000 286 E CA 1.640 57.957 56.400 -0.138 0.000 0.803 286 E CB -0.133 29.509 29.700 -0.096 0.000 0.750 286 E HN 0.871 nan 8.360 nan 0.000 0.448 287 E N -0.170 119.905 120.200 -0.209 0.000 2.512 287 E HA -0.133 4.218 4.350 0.001 0.000 0.195 287 E C 1.354 177.790 176.600 -0.274 0.000 1.083 287 E CA 0.182 56.458 56.400 -0.207 0.000 0.873 287 E CB 0.187 29.780 29.700 -0.178 0.000 0.897 287 E HN 0.209 nan 8.360 nan 0.000 0.514 288 Q N 0.907 120.505 119.800 -0.338 0.000 2.398 288 Q HA 0.029 4.370 4.340 0.001 0.000 0.204 288 Q C 0.259 176.167 176.000 -0.152 0.000 0.932 288 Q CA 0.097 55.717 55.803 -0.305 0.000 0.916 288 Q CB 0.007 28.506 28.738 -0.399 0.000 1.024 288 Q HN 0.349 nan 8.270 nan 0.000 0.504 289 N N 0.692 119.313 118.700 -0.132 0.000 2.725 289 N HA -0.183 4.558 4.740 0.001 0.000 0.251 289 N C -1.105 174.372 175.510 -0.054 0.000 1.031 289 N CA 0.409 53.410 53.050 -0.081 0.000 0.720 289 N CB -1.171 37.275 38.487 -0.067 0.000 0.930 289 N HN 0.244 nan 8.380 nan 0.000 0.543 290 L N 0.781 121.972 121.223 -0.054 0.000 2.276 290 L HA 0.161 4.502 4.340 0.001 0.000 0.286 290 L C 1.653 178.513 176.870 -0.017 0.000 1.061 290 L CA -0.521 54.307 54.840 -0.020 0.000 0.807 290 L CB 1.284 43.341 42.059 -0.004 0.000 1.177 290 L HN -0.004 nan 8.230 nan 0.000 0.429 291 K N 1.553 121.948 120.400 -0.008 0.000 2.063 291 K HA -0.089 4.232 4.320 0.001 0.000 0.208 291 K C 0.156 176.756 176.600 -0.000 0.000 1.048 291 K CA 1.661 57.944 56.287 -0.006 0.000 0.928 291 K CB 0.153 32.651 32.500 -0.003 0.000 0.713 291 K HN 0.564 nan 8.250 nan 0.000 0.442 292 D N -1.472 118.933 120.400 0.007 0.000 2.581 292 D HA 0.401 5.042 4.640 0.001 0.000 0.232 292 D C -1.545 174.767 176.300 0.020 0.000 1.143 292 D CA -0.587 53.422 54.000 0.015 0.000 0.881 292 D CB 1.844 42.657 40.800 0.022 0.000 1.500 292 D HN 0.003 nan 8.370 nan 0.000 0.458 293 L N 1.147 122.384 121.223 0.024 0.000 2.641 293 L HA 0.348 4.689 4.340 0.001 0.000 0.261 293 L C -1.690 175.198 176.870 0.030 0.000 0.926 293 L CA -0.463 54.389 54.840 0.019 0.000 0.917 293 L CB 1.529 43.587 42.059 -0.002 0.000 1.361 293 L HN 0.198 nan 8.230 nan 0.000 0.417 294 R N 3.115 123.618 120.500 0.005 0.000 2.486 294 R HA 0.806 5.147 4.340 0.001 0.000 0.286 294 R C -1.186 175.095 176.300 -0.032 0.000 0.999 294 R CA -0.781 55.346 56.100 0.045 0.000 0.993 294 R CB 1.877 32.223 30.300 0.076 0.000 1.084 294 R HN 0.436 nan 8.270 nan 0.000 0.487 295 V N 3.063 123.070 119.914 0.155 0.000 2.487 295 V HA 0.450 4.571 4.120 0.001 0.000 0.298 295 V C -0.885 175.517 176.094 0.514 0.000 1.028 295 V CA -0.904 61.508 62.300 0.186 0.000 0.860 295 V CB 1.708 33.663 31.823 0.220 0.000 0.991 295 V HN 0.544 nan 8.190 nan 0.000 0.427 296 W N 2.652 124.060 121.300 0.181 0.000 2.736 296 W HA 0.790 5.451 4.660 0.002 0.000 0.335 296 W C 0.347 176.956 176.519 0.149 0.000 1.059 296 W CA -0.852 56.631 57.345 0.231 0.000 1.226 296 W CB 1.856 31.336 29.460 0.033 0.000 1.416 296 W HN 0.706 nan 8.180 nan 0.000 0.505 297 T N -1.732 113.098 114.554 0.459 0.000 2.742 297 T HA 0.763 5.114 4.350 0.001 0.000 0.282 297 T C 0.322 175.213 174.700 0.319 0.000 1.025 297 T CA -0.525 61.739 62.100 0.273 0.000 1.020 297 T CB 1.418 70.373 68.868 0.146 0.000 1.317 297 T HN 0.308 nan 8.240 nan 0.000 0.538 298 S N -0.261 115.595 115.700 0.260 0.000 2.590 298 S HA 0.370 4.840 4.470 0.001 0.000 0.282 298 S C 0.614 175.357 174.600 0.238 0.000 1.136 298 S CA -0.858 57.512 58.200 0.283 0.000 1.030 298 S CB 0.403 63.818 63.200 0.358 0.000 1.195 298 S HN 0.795 nan 8.310 nan 0.000 0.506 299 Q N -0.341 119.571 119.800 0.186 0.000 2.219 299 Q HA 0.393 4.734 4.340 0.001 0.000 0.209 299 Q C -0.638 175.425 176.000 0.105 0.000 0.854 299 Q CA -0.114 55.770 55.803 0.136 0.000 0.960 299 Q CB 0.008 28.802 28.738 0.094 0.000 1.116 299 Q HN 0.493 nan 8.270 nan 0.000 0.500 300 L N 0.940 122.243 121.223 0.132 0.000 2.350 300 L HA 0.174 4.515 4.340 0.001 0.000 0.275 300 L C 1.479 178.398 176.870 0.081 0.000 1.099 300 L CA -0.218 54.676 54.840 0.091 0.000 0.808 300 L CB 0.789 42.919 42.059 0.119 0.000 1.149 300 L HN 0.024 nan 8.230 nan 0.000 0.442 301 K N 1.252 121.672 120.400 0.033 0.000 2.059 301 K HA -0.259 4.062 4.320 0.001 0.000 0.212 301 K C 2.072 178.681 176.600 0.014 0.000 1.050 301 K CA 2.284 58.585 56.287 0.024 0.000 0.927 301 K CB -0.031 32.473 32.500 0.007 0.000 0.714 301 K HN 0.840 nan 8.250 nan 0.000 0.447 302 S N -0.155 115.531 115.700 -0.023 0.000 2.370 302 S HA -0.197 4.274 4.470 0.001 0.000 0.226 302 S C 2.105 176.728 174.600 0.039 0.000 1.033 302 S CA 1.938 60.114 58.200 -0.040 0.000 1.011 302 S CB -1.203 61.833 63.200 -0.274 0.000 0.852 302 S HN 0.603 nan 8.310 nan 0.000 0.457 303 T N 0.644 115.225 114.554 0.044 0.000 2.857 303 T HA 0.160 4.511 4.350 0.001 0.000 0.266 303 T C 1.872 176.553 174.700 -0.032 0.000 1.048 303 T CA 0.980 63.105 62.100 0.042 0.000 1.139 303 T CB -0.776 68.114 68.868 0.037 0.000 0.874 303 T HN 0.468 nan 8.240 nan 0.000 0.455 304 I N 1.293 121.845 120.570 -0.029 0.000 2.252 304 I HA -0.158 4.013 4.170 0.001 0.000 0.245 304 I C 3.078 179.116 176.117 -0.132 0.000 1.102 304 I CA 1.303 62.532 61.300 -0.119 0.000 1.385 304 I CB -0.530 37.490 38.000 0.033 0.000 1.064 304 I HN 0.280 nan 8.210 nan 0.000 0.414 305 Q N 0.302 120.080 119.800 -0.037 0.000 2.096 305 Q HA -0.193 4.148 4.340 0.001 0.000 0.204 305 Q C 2.264 178.235 176.000 -0.049 0.000 0.982 305 Q CA 2.186 57.978 55.803 -0.019 0.000 0.850 305 Q CB -0.354 28.393 28.738 0.015 0.000 0.901 305 Q HN 0.502 nan 8.270 nan 0.000 0.422 306 T N 0.937 115.466 114.554 -0.043 0.000 2.674 306 T HA -0.177 4.174 4.350 0.001 0.000 0.265 306 T C 1.922 176.533 174.700 -0.149 0.000 1.039 306 T CA 1.368 63.428 62.100 -0.067 0.000 1.150 306 T CB -0.344 68.531 68.868 0.012 0.000 0.864 306 T HN 0.424 nan 8.240 nan 0.000 0.427 307 A N 1.586 124.270 122.820 -0.226 0.000 1.933 307 A HA -0.133 4.188 4.320 0.001 0.000 0.218 307 A C 2.281 179.719 177.584 -0.243 0.000 1.175 307 A CA 1.289 53.129 52.037 -0.327 0.000 0.628 307 A CB -0.433 18.141 19.000 -0.710 0.000 0.814 307 A HN 0.357 nan 8.150 nan 0.000 0.444 308 E N -0.072 120.008 120.200 -0.200 0.000 2.118 308 E HA -0.182 4.168 4.350 0.001 0.000 0.195 308 E C 2.200 178.798 176.600 -0.004 0.000 0.992 308 E CA 1.185 57.584 56.400 -0.002 0.000 0.804 308 E CB -0.456 29.263 29.700 0.032 0.000 0.741 308 E HN 0.601 nan 8.360 nan 0.000 0.458 309 A N 0.701 123.488 122.820 -0.056 0.000 2.178 309 A HA -0.094 4.227 4.320 0.001 0.000 0.218 309 A C 2.138 179.685 177.584 -0.063 0.000 1.157 309 A CA 0.694 52.693 52.037 -0.064 0.000 0.689 309 A CB -0.447 18.488 19.000 -0.107 0.000 0.787 309 A HN 0.168 nan 8.150 nan 0.000 0.465 310 L N -2.344 118.848 121.223 -0.051 0.000 2.446 310 L HA 0.096 4.437 4.340 0.001 0.000 0.219 310 L C 0.834 177.705 176.870 0.002 0.000 1.116 310 L CA 0.128 54.945 54.840 -0.038 0.000 0.844 310 L CB -0.184 41.852 42.059 -0.037 0.000 0.970 310 L HN 0.371 nan 8.230 nan 0.000 0.457 311 R N 0.048 120.568 120.500 0.034 0.000 3.641 311 R HA -0.154 4.187 4.340 0.001 0.000 0.286 311 R C -0.681 175.656 176.300 0.061 0.000 1.153 311 R CA 0.443 56.572 56.100 0.048 0.000 0.775 311 R CB -2.311 28.000 30.300 0.019 0.000 1.215 311 R HN 0.296 nan 8.270 nan 0.000 0.474 312 L N 0.855 122.138 121.223 0.101 0.000 2.354 312 L HA 0.579 4.920 4.340 0.001 0.000 0.269 312 L C -1.771 175.206 176.870 0.178 0.000 1.005 312 L CA -2.395 52.509 54.840 0.106 0.000 0.819 312 L CB 1.771 43.881 42.059 0.084 0.000 1.311 312 L HN -0.175 nan 8.230 nan 0.000 0.423 313 P HA 0.121 nan 4.420 nan 0.000 0.271 313 P C -1.651 175.755 177.300 0.177 0.000 1.220 313 P CA 0.143 63.282 63.100 0.066 0.000 0.768 313 P CB 0.386 32.102 31.700 0.027 0.000 0.848 314 Y N -0.895 119.479 120.300 0.123 0.000 2.634 314 Y HA 0.743 5.294 4.550 0.001 0.000 0.340 314 Y C -0.562 175.462 175.900 0.206 0.000 1.058 314 Y CA -1.589 56.627 58.100 0.192 0.000 1.081 314 Y CB 1.494 40.058 38.460 0.173 0.000 1.295 314 Y HN 0.400 nan 8.280 nan 0.000 0.487 315 E N 0.915 121.426 120.200 0.518 0.000 2.248 315 E HA 0.333 4.684 4.350 0.001 0.000 0.267 315 E C -1.636 175.228 176.600 0.440 0.000 0.877 315 E CA -0.864 55.725 56.400 0.315 0.000 0.759 315 E CB 1.743 31.564 29.700 0.202 0.000 1.182 315 E HN 0.777 nan 8.360 nan 0.000 0.418 316 Q N 2.850 122.801 119.800 0.252 0.000 2.241 316 Q HA 0.318 4.659 4.340 0.001 0.000 0.254 316 Q C -1.359 174.744 176.000 0.172 0.000 0.917 316 Q CA -0.454 55.529 55.803 0.298 0.000 0.919 316 Q CB 1.353 30.218 28.738 0.212 0.000 1.237 316 Q HN 0.400 nan 8.270 nan 0.000 0.434 317 W N 1.725 123.050 121.300 0.041 0.000 2.538 317 W HA 0.342 5.002 4.660 0.001 0.000 0.322 317 W C 0.842 177.380 176.519 0.032 0.000 1.028 317 W CA -0.844 56.498 57.345 -0.005 0.000 1.228 317 W CB 1.189 30.632 29.460 -0.029 0.000 1.356 317 W HN 0.648 nan 8.180 nan 0.000 0.452 318 K N 2.197 122.715 120.400 0.197 0.000 2.283 318 K HA -0.053 4.268 4.320 0.001 0.000 0.202 318 K C 1.789 178.477 176.600 0.147 0.000 1.048 318 K CA 1.582 57.948 56.287 0.132 0.000 0.948 318 K CB 0.123 32.660 32.500 0.062 0.000 0.742 318 K HN 0.542 nan 8.250 nan 0.000 0.458 319 A N 0.666 123.614 122.820 0.214 0.000 2.121 319 A HA -0.020 4.301 4.320 0.001 0.000 0.218 319 A C 1.714 179.393 177.584 0.158 0.000 1.154 319 A CA 0.813 52.960 52.037 0.183 0.000 0.679 319 A CB -0.282 18.867 19.000 0.247 0.000 0.795 319 A HN 0.334 nan 8.150 nan 0.000 0.458 320 L N -0.223 121.119 121.223 0.199 0.000 2.592 320 L HA 0.059 4.400 4.340 0.001 0.000 0.227 320 L C 0.204 177.195 176.870 0.202 0.000 1.127 320 L CA -0.303 54.646 54.840 0.183 0.000 0.884 320 L CB -0.419 41.755 42.059 0.191 0.000 1.065 320 L HN 0.381 nan 8.230 nan 0.000 0.457 321 N N 1.005 119.774 118.700 0.115 0.000 2.441 321 N HA -0.015 4.726 4.740 0.001 0.000 0.251 321 N C 0.255 175.669 175.510 -0.160 0.000 1.242 321 N CA -0.266 52.769 53.050 -0.024 0.000 0.898 321 N CB 0.590 39.045 38.487 -0.053 0.000 1.100 321 N HN 0.048 nan 8.380 nan 0.000 0.443 322 E N 1.719 121.592 120.200 -0.546 0.000 2.438 322 E HA -0.002 4.349 4.350 0.001 0.000 0.261 322 E C -0.167 176.284 176.600 -0.250 0.000 1.103 322 E CA -0.155 56.000 56.400 -0.407 0.000 0.959 322 E CB 0.480 29.840 29.700 -0.565 0.000 0.958 322 E HN 0.352 nan 8.360 nan 0.000 0.447 323 I N 2.145 122.588 120.570 -0.212 0.000 2.932 323 I HA -0.110 4.060 4.170 0.001 0.000 0.295 323 I C 0.147 176.124 176.117 -0.233 0.000 1.227 323 I CA 0.571 61.738 61.300 -0.221 0.000 1.429 323 I CB 0.429 38.269 38.000 -0.267 0.000 1.339 323 I HN 0.493 nan 8.210 nan 0.000 0.589 324 D N 6.385 126.661 120.400 -0.206 0.000 2.316 324 D HA 0.197 4.838 4.640 0.001 0.000 0.245 324 D C 0.452 176.547 176.300 -0.342 0.000 1.171 324 D CA -0.070 53.794 54.000 -0.226 0.000 0.856 324 D CB 1.686 42.395 40.800 -0.152 0.000 1.090 324 D HN 0.668 nan 8.370 nan 0.000 0.476 325 A N 3.373 125.883 122.820 -0.517 0.000 2.235 325 A HA 0.342 4.663 4.320 0.001 0.000 0.208 325 A C 1.427 178.655 177.584 -0.593 0.000 1.172 325 A CA 0.896 52.309 52.037 -1.041 0.000 0.786 325 A CB -0.555 17.893 19.000 -0.921 0.000 0.804 325 A HN 0.875 nan 8.150 nan 0.000 0.479 326 G N -0.618 108.024 108.800 -0.264 0.000 2.583 326 G HA2 -0.340 3.621 3.960 0.001 0.000 0.292 326 G HA3 -0.340 3.621 3.960 0.001 0.000 0.292 326 G C 1.172 176.009 174.900 -0.105 0.000 1.203 326 G CA 1.631 46.662 45.100 -0.114 0.000 0.987 326 G HN 1.492 nan 8.290 nan 0.000 0.554 327 V N -1.964 117.901 119.914 -0.082 0.000 3.444 327 V HA 0.131 4.252 4.120 0.001 0.000 0.271 327 V C 2.180 178.209 176.094 -0.108 0.000 1.188 327 V CA 2.169 64.421 62.300 -0.081 0.000 1.168 327 V CB -0.881 30.892 31.823 -0.084 0.000 0.810 327 V HN 0.967 nan 8.190 nan 0.000 0.500 328 C N -0.225 118.994 119.300 -0.134 0.000 2.906 328 C HA 0.292 4.753 4.460 0.001 0.000 0.274 328 C C 1.102 176.030 174.990 -0.103 0.000 1.257 328 C CA -0.727 58.239 59.018 -0.087 0.000 1.695 328 C CB -1.049 26.699 27.740 0.014 0.000 1.958 328 C HN 0.539 nan 8.230 nan 0.000 0.619 329 E N 1.796 121.912 120.200 -0.139 0.000 2.467 329 E HA -0.052 4.299 4.350 0.001 0.000 0.264 329 E C 0.715 177.294 176.600 -0.035 0.000 1.020 329 E CA 0.872 57.198 56.400 -0.124 0.000 0.945 329 E CB 0.218 29.850 29.700 -0.114 0.000 0.942 329 E HN 0.401 nan 8.360 nan 0.000 0.449 330 E N -1.368 118.837 120.200 0.008 0.000 4.005 330 E HA -0.271 4.080 4.350 0.001 0.000 0.349 330 E C 0.180 176.808 176.600 0.047 0.000 0.635 330 E CA 0.735 57.195 56.400 0.101 0.000 1.238 330 E CB -1.226 28.528 29.700 0.090 0.000 1.698 330 E HN 0.238 nan 8.360 nan 0.000 0.418 331 L N 1.421 122.651 121.223 0.012 0.000 2.468 331 L HA 0.298 4.639 4.340 0.001 0.000 0.254 331 L C 1.295 178.149 176.870 -0.026 0.000 1.171 331 L CA 0.735 55.583 54.840 0.013 0.000 0.809 331 L CB 0.675 42.765 42.059 0.052 0.000 1.155 331 L HN 0.147 nan 8.230 nan 0.000 0.473 332 T N -2.819 111.736 114.554 0.002 0.000 2.925 332 T HA 0.334 4.685 4.350 0.001 0.000 0.285 332 T C 1.052 175.783 174.700 0.051 0.000 1.021 332 T CA -0.382 61.730 62.100 0.019 0.000 1.042 332 T CB 0.422 69.328 68.868 0.064 0.000 1.037 332 T HN 0.363 nan 8.240 nan 0.000 0.481 333 Y N 0.373 120.749 120.300 0.126 0.000 2.193 333 Y HA -0.166 4.385 4.550 0.001 0.000 0.285 333 Y C 2.811 178.762 175.900 0.086 0.000 1.166 333 Y CA 1.903 60.110 58.100 0.179 0.000 1.181 333 Y CB -0.155 38.434 38.460 0.214 0.000 0.976 333 Y HN 0.814 nan 8.280 nan 0.000 0.520 334 E N 1.200 121.513 120.200 0.188 0.000 2.038 334 E HA -0.274 4.077 4.350 0.001 0.000 0.195 334 E C 1.739 178.353 176.600 0.023 0.000 1.000 334 E CA 1.854 58.285 56.400 0.053 0.000 0.803 334 E CB -0.172 29.557 29.700 0.048 0.000 0.750 334 E HN 0.617 nan 8.360 nan 0.000 0.448 335 E N 0.314 120.547 120.200 0.055 0.000 2.097 335 E HA -0.187 4.164 4.350 0.001 0.000 0.196 335 E C 2.356 179.013 176.600 0.094 0.000 1.000 335 E CA 1.643 58.075 56.400 0.053 0.000 0.804 335 E CB -0.200 29.537 29.700 0.062 0.000 0.740 335 E HN 0.392 nan 8.360 nan 0.000 0.454 336 I N 0.569 121.235 120.570 0.159 0.000 2.142 336 I HA -0.295 3.875 4.170 0.001 0.000 0.240 336 I C 2.740 178.966 176.117 0.182 0.000 1.078 336 I CA 1.116 62.587 61.300 0.284 0.000 1.343 336 I CB -0.388 37.813 38.000 0.336 0.000 1.046 336 I HN 0.052 nan 8.210 nan 0.000 0.405 337 R N 1.045 121.515 120.500 -0.050 0.000 2.119 337 R HA -0.239 4.102 4.340 0.001 0.000 0.246 337 R C 1.771 177.978 176.300 -0.155 0.000 1.146 337 R CA 2.391 58.247 56.100 -0.407 0.000 0.962 337 R CB -0.241 29.627 30.300 -0.719 0.000 0.863 337 R HN 0.386 nan 8.270 nan 0.000 0.442 338 D N -0.939 119.409 120.400 -0.088 0.000 2.110 338 D HA -0.058 4.583 4.640 0.001 0.000 0.202 338 D C 1.894 178.152 176.300 -0.069 0.000 0.975 338 D CA 1.744 55.704 54.000 -0.067 0.000 0.839 338 D CB -0.595 40.171 40.800 -0.057 0.000 0.996 338 D HN 0.234 nan 8.370 nan 0.000 0.464 339 T N -0.003 114.502 114.554 -0.081 0.000 2.674 339 T HA -0.158 4.193 4.350 0.001 0.000 0.265 339 T C 0.619 175.094 174.700 -0.376 0.000 1.039 339 T CA 1.094 63.037 62.100 -0.262 0.000 1.150 339 T CB -0.331 68.331 68.868 -0.344 0.000 0.864 339 T HN 0.170 nan 8.240 nan 0.000 0.427 340 Y N 1.528 121.861 120.300 0.056 0.000 2.635 340 Y HA 0.289 4.840 4.550 0.002 0.000 0.373 340 Y C -1.658 174.296 175.900 0.091 0.000 1.000 340 Y CA -2.929 55.218 58.100 0.078 0.000 1.219 340 Y CB 0.422 38.948 38.460 0.110 0.000 1.294 340 Y HN 0.156 nan 8.280 nan 0.000 0.612 341 P HA -0.307 nan 4.420 nan 0.000 0.212 341 P C 1.413 178.811 177.300 0.163 0.000 1.178 341 P CA 1.850 65.020 63.100 0.116 0.000 0.915 341 P CB 0.489 32.215 31.700 0.043 0.000 0.788 342 E N -0.260 120.017 120.200 0.128 0.000 2.114 342 E HA -0.247 4.104 4.350 0.001 0.000 0.199 342 E C 2.052 178.729 176.600 0.128 0.000 1.008 342 E CA 1.323 57.791 56.400 0.114 0.000 0.810 342 E CB -0.162 29.595 29.700 0.095 0.000 0.739 342 E HN 0.170 nan 8.360 nan 0.000 0.456 343 E N -0.246 120.058 120.200 0.174 0.000 2.072 343 E HA -0.190 4.161 4.350 0.001 0.000 0.191 343 E C 1.850 178.453 176.600 0.006 0.000 0.985 343 E CA 0.899 57.391 56.400 0.153 0.000 0.801 343 E CB -0.506 29.318 29.700 0.206 0.000 0.750 343 E HN 0.480 nan 8.360 nan 0.000 0.452 344 Y N 1.289 121.573 120.300 -0.027 0.000 2.256 344 Y HA -0.221 4.330 4.550 0.002 0.000 0.288 344 Y C 2.166 177.995 175.900 -0.117 0.000 1.155 344 Y CA 1.570 59.626 58.100 -0.075 0.000 1.203 344 Y CB -0.069 38.410 38.460 0.031 0.000 0.980 344 Y HN 0.020 nan 8.280 nan 0.000 0.530 345 A N -0.092 122.768 122.820 0.068 0.000 1.898 345 A HA -0.059 4.262 4.320 0.001 0.000 0.214 345 A C 2.174 179.697 177.584 -0.102 0.000 1.183 345 A CA 1.257 53.297 52.037 0.004 0.000 0.622 345 A CB -0.974 18.070 19.000 0.075 0.000 0.824 345 A HN 0.498 nan 8.150 nan 0.000 0.444 346 L N -0.903 120.269 121.223 -0.085 0.000 2.187 346 L HA -0.178 4.163 4.340 0.001 0.000 0.213 346 L C 2.753 179.494 176.870 -0.215 0.000 1.100 346 L CA 1.647 56.462 54.840 -0.043 0.000 0.765 346 L CB -0.334 41.808 42.059 0.137 0.000 0.904 346 L HN 0.465 nan 8.230 nan 0.000 0.437 347 R N 0.066 120.155 120.500 -0.684 0.000 2.075 347 R HA -0.102 4.239 4.340 0.001 0.000 0.226 347 R C 2.097 178.147 176.300 -0.417 0.000 1.114 347 R CA 0.898 56.438 56.100 -0.933 0.000 0.972 347 R CB 0.061 29.497 30.300 -1.439 0.000 0.869 347 R HN 0.314 nan 8.270 nan 0.000 0.437 348 E N 0.351 120.332 120.200 -0.365 0.000 2.204 348 E HA -0.228 4.123 4.350 0.001 0.000 0.194 348 E C 1.751 178.310 176.600 -0.069 0.000 0.989 348 E CA 1.333 57.614 56.400 -0.199 0.000 0.824 348 E CB 0.166 29.738 29.700 -0.213 0.000 0.756 348 E HN 0.567 nan 8.360 nan 0.000 0.477 349 Q N 0.045 119.806 119.800 -0.066 0.000 2.424 349 Q HA -0.032 4.309 4.340 0.001 0.000 0.204 349 Q C 0.191 176.216 176.000 0.042 0.000 0.933 349 Q CA 0.791 56.591 55.803 -0.005 0.000 0.929 349 Q CB 0.542 29.279 28.738 -0.001 0.000 1.037 349 Q HN -0.133 nan 8.270 nan 0.000 0.511 350 D N 0.188 120.618 120.400 0.051 0.000 3.449 350 D HA 0.103 4.744 4.640 0.001 0.000 0.262 350 D C -0.063 176.312 176.300 0.125 0.000 1.343 350 D CA -0.159 53.921 54.000 0.133 0.000 0.787 350 D CB 0.293 41.199 40.800 0.177 0.000 1.412 350 D HN 0.147 nan 8.370 nan 0.000 0.652 351 K N -0.106 120.321 120.400 0.044 0.000 2.218 351 K HA -0.220 4.101 4.320 0.001 0.000 0.205 351 K C 1.408 177.973 176.600 -0.058 0.000 1.046 351 K CA 1.172 57.415 56.287 -0.074 0.000 0.933 351 K CB 0.070 32.389 32.500 -0.301 0.000 0.728 351 K HN 0.320 nan 8.250 nan 0.000 0.454 352 Y N -0.353 119.845 120.300 -0.170 0.000 2.176 352 Y HA -0.173 4.378 4.550 0.002 0.000 0.291 352 Y C 1.456 177.246 175.900 -0.183 0.000 1.122 352 Y CA 1.541 59.482 58.100 -0.265 0.000 1.128 352 Y CB -0.255 37.930 38.460 -0.459 0.000 1.005 352 Y HN 0.044 nan 8.280 nan 0.000 0.509 353 Y N -1.622 118.712 120.300 0.057 0.000 2.457 353 Y HA -0.103 4.447 4.550 0.002 0.000 0.292 353 Y C 0.607 176.477 175.900 -0.050 0.000 1.125 353 Y CA 0.442 58.515 58.100 -0.044 0.000 1.254 353 Y CB -0.671 37.821 38.460 0.054 0.000 1.012 353 Y HN 0.084 nan 8.280 nan 0.000 0.555 354 Y N 2.894 123.213 120.300 0.033 0.000 2.810 354 Y HA 0.010 4.561 4.550 0.001 0.000 0.332 354 Y C 0.464 176.313 175.900 -0.085 0.000 1.243 354 Y CA -0.437 57.632 58.100 -0.051 0.000 1.537 354 Y CB 0.236 38.629 38.460 -0.111 0.000 1.265 354 Y HN -0.004 nan 8.280 nan 0.000 0.572 355 R N 5.951 125.914 120.500 -0.895 0.000 2.534 355 R HA 0.297 4.638 4.340 0.001 0.000 0.301 355 R C -1.580 174.213 176.300 -0.845 0.000 0.961 355 R CA -0.727 55.017 56.100 -0.593 0.000 0.871 355 R CB 0.705 30.811 30.300 -0.323 0.000 1.170 355 R HN 0.745 nan 8.270 nan 0.000 0.446 356 Y N 4.212 124.262 120.300 -0.416 0.000 2.578 356 Y HA 0.106 4.656 4.550 0.001 0.000 0.339 356 Y C -1.672 174.094 175.900 -0.223 0.000 1.231 356 Y CA -1.277 56.696 58.100 -0.211 0.000 1.461 356 Y CB 0.431 38.856 38.460 -0.059 0.000 1.323 356 Y HN 0.495 nan 8.280 nan 0.000 0.590 357 P HA -0.050 nan 4.420 nan 0.000 0.261 357 P C 0.383 177.669 177.300 -0.025 0.000 1.203 357 P CA 1.382 64.449 63.100 -0.056 0.000 0.767 357 P CB 0.210 31.877 31.700 -0.055 0.000 0.785 358 T N -0.235 114.302 114.554 -0.029 0.000 6.157 358 T HA -0.169 4.182 4.350 0.001 0.000 0.281 358 T C 0.586 175.270 174.700 -0.028 0.000 2.039 358 T CA 1.012 63.103 62.100 -0.016 0.000 3.312 358 T CB -2.213 66.652 68.868 -0.005 0.000 1.589 358 T HN 0.611 nan 8.240 nan 0.000 1.129 359 G N -0.322 108.464 108.800 -0.023 0.000 3.217 359 G HA2 0.724 4.685 3.960 0.001 0.000 0.213 359 G HA3 0.724 4.685 3.960 0.001 0.000 0.213 359 G C -0.779 174.103 174.900 -0.031 0.000 1.294 359 G CA -0.609 44.474 45.100 -0.027 0.000 0.987 359 G HN 0.635 nan 8.290 nan 0.000 0.584 360 E N -1.134 119.055 120.200 -0.018 0.000 2.334 360 E HA 0.600 4.951 4.350 0.001 0.000 0.256 360 E C -0.593 176.002 176.600 -0.009 0.000 0.958 360 E CA -0.797 55.575 56.400 -0.047 0.000 0.821 360 E CB 1.945 31.592 29.700 -0.089 0.000 1.269 360 E HN 0.556 nan 8.360 nan 0.000 0.413 361 S N -1.033 114.615 115.700 -0.087 0.000 2.671 361 S HA 0.279 4.750 4.470 0.001 0.000 0.299 361 S C 0.134 174.621 174.600 -0.189 0.000 1.116 361 S CA -0.652 57.495 58.200 -0.088 0.000 0.912 361 S CB 0.390 63.498 63.200 -0.154 0.000 1.130 361 S HN 0.555 nan 8.310 nan 0.000 0.501 362 Y N 0.654 120.751 120.300 -0.339 0.000 2.274 362 Y HA -0.096 4.455 4.550 0.001 0.000 0.290 362 Y C 2.911 178.459 175.900 -0.586 0.000 1.145 362 Y CA 2.002 59.869 58.100 -0.389 0.000 1.203 362 Y CB -0.271 37.975 38.460 -0.356 0.000 0.984 362 Y HN 0.843 nan 8.280 nan 0.000 0.533 363 Q N 0.207 119.542 119.800 -0.776 0.000 2.084 363 Q HA -0.215 4.126 4.340 0.001 0.000 0.202 363 Q C 1.396 177.218 176.000 -0.297 0.000 0.978 363 Q CA 1.844 57.274 55.803 -0.621 0.000 0.844 363 Q CB -0.036 28.409 28.738 -0.488 0.000 0.898 363 Q HN 0.418 nan 8.270 nan 0.000 0.426 364 D N 0.410 120.667 120.400 -0.238 0.000 2.144 364 D HA -0.142 4.499 4.640 0.001 0.000 0.199 364 D C 1.975 178.185 176.300 -0.150 0.000 0.984 364 D CA 0.773 54.678 54.000 -0.159 0.000 0.834 364 D CB -0.097 40.625 40.800 -0.129 0.000 0.955 364 D HN 0.322 nan 8.370 nan 0.000 0.465 365 L N 0.469 121.583 121.223 -0.182 0.000 2.046 365 L HA -0.152 4.189 4.340 0.001 0.000 0.208 365 L C 2.542 179.349 176.870 -0.105 0.000 1.077 365 L CA 0.639 55.396 54.840 -0.138 0.000 0.747 365 L CB -0.252 41.691 42.059 -0.194 0.000 0.896 365 L HN -0.058 nan 8.230 nan 0.000 0.432 366 V N -0.810 118.981 119.914 -0.206 0.000 2.343 366 V HA -0.288 3.833 4.120 0.001 0.000 0.247 366 V C 2.500 178.379 176.094 -0.359 0.000 1.051 366 V CA 1.526 63.560 62.300 -0.444 0.000 1.036 366 V CB -0.481 30.908 31.823 -0.723 0.000 0.654 366 V HN 0.477 nan 8.190 nan 0.000 0.451 367 Q N -0.500 119.166 119.800 -0.222 0.000 2.172 367 Q HA -0.111 4.230 4.340 0.001 0.000 0.200 367 Q C 2.391 178.376 176.000 -0.026 0.000 0.964 367 Q CA 1.162 56.894 55.803 -0.118 0.000 0.855 367 Q CB -0.301 28.386 28.738 -0.087 0.000 0.918 367 Q HN 0.517 nan 8.270 nan 0.000 0.444 368 R N 0.069 120.557 120.500 -0.020 0.000 2.153 368 R HA 0.049 4.390 4.340 0.001 0.000 0.218 368 R C 1.860 178.220 176.300 0.100 0.000 1.072 368 R CA 0.429 56.549 56.100 0.034 0.000 0.990 368 R CB 0.153 30.458 30.300 0.008 0.000 0.889 368 R HN 0.222 nan 8.270 nan 0.000 0.452 369 L N 0.317 121.619 121.223 0.132 0.000 2.529 369 L HA 0.025 4.365 4.340 0.001 0.000 0.223 369 L C 2.306 179.355 176.870 0.299 0.000 1.113 369 L CA 0.051 55.028 54.840 0.229 0.000 0.861 369 L CB -0.174 42.074 42.059 0.315 0.000 1.012 369 L HN 0.139 nan 8.230 nan 0.000 0.461 370 E N 1.691 122.075 120.200 0.308 0.000 2.065 370 E HA -0.242 4.109 4.350 0.001 0.000 0.201 370 E C -0.561 176.197 176.600 0.263 0.000 1.016 370 E CA 2.035 58.643 56.400 0.346 0.000 0.818 370 E CB -0.982 28.868 29.700 0.250 0.000 0.749 370 E HN 0.298 nan 8.360 nan 0.000 0.453 371 P HA -0.097 nan 4.420 nan 0.000 0.218 371 P C 1.711 179.168 177.300 0.262 0.000 1.149 371 P CA 0.989 64.252 63.100 0.271 0.000 0.817 371 P CB 0.027 31.892 31.700 0.276 0.000 0.785 372 V N -0.241 119.770 119.914 0.162 0.000 2.307 372 V HA -0.205 3.916 4.120 0.001 0.000 0.245 372 V C 2.335 178.458 176.094 0.049 0.000 1.045 372 V CA 1.477 63.743 62.300 -0.057 0.000 1.024 372 V CB -1.066 30.671 31.823 -0.144 0.000 0.651 372 V HN 0.036 nan 8.190 nan 0.000 0.449 373 I N -0.481 120.072 120.570 -0.029 0.000 2.163 373 I HA -0.271 3.900 4.170 0.001 0.000 0.243 373 I C 2.397 178.488 176.117 -0.043 0.000 1.085 373 I CA 2.003 63.163 61.300 -0.234 0.000 1.347 373 I CB -0.978 36.578 38.000 -0.740 0.000 1.044 373 I HN 0.362 nan 8.210 nan 0.000 0.408 374 M N 0.699 120.348 119.600 0.081 0.000 2.213 374 M HA -0.209 4.272 4.480 0.001 0.000 0.263 374 M C 1.977 178.353 176.300 0.127 0.000 1.062 374 M CA 1.677 57.040 55.300 0.106 0.000 1.105 374 M CB -0.369 32.320 32.600 0.147 0.000 1.385 374 M HN 0.093 nan 8.290 nan 0.000 0.417 375 E N -0.472 119.865 120.200 0.229 0.000 2.170 375 E HA -0.029 4.322 4.350 0.001 0.000 0.191 375 E C 1.823 178.684 176.600 0.435 0.000 0.981 375 E CA 1.006 57.618 56.400 0.353 0.000 0.830 375 E CB -0.333 29.648 29.700 0.468 0.000 0.775 375 E HN 0.576 nan 8.360 nan 0.000 0.470 376 L N 0.700 122.150 121.223 0.379 0.000 2.141 376 L HA -0.122 4.219 4.340 0.001 0.000 0.209 376 L C 2.144 179.156 176.870 0.236 0.000 1.094 376 L CA 1.053 56.062 54.840 0.281 0.000 0.763 376 L CB -0.283 41.946 42.059 0.283 0.000 0.908 376 L HN 0.140 nan 8.230 nan 0.000 0.437 377 E N 0.001 120.315 120.200 0.190 0.000 2.150 377 E HA -0.156 4.195 4.350 0.001 0.000 0.193 377 E C 2.245 178.971 176.600 0.210 0.000 0.985 377 E CA 0.829 57.309 56.400 0.133 0.000 0.814 377 E CB -0.030 29.669 29.700 -0.003 0.000 0.752 377 E HN 0.476 nan 8.360 nan 0.000 0.466 378 R N 0.217 120.833 120.500 0.193 0.000 2.119 378 R HA 0.017 4.358 4.340 0.001 0.000 0.222 378 R C 1.143 177.543 176.300 0.166 0.000 1.088 378 R CA 0.430 56.636 56.100 0.177 0.000 0.984 378 R CB 0.217 30.599 30.300 0.137 0.000 0.884 378 R HN 0.142 nan 8.270 nan 0.000 0.447 379 Q N 0.202 120.134 119.800 0.219 0.000 2.316 379 Q HA 0.046 4.387 4.340 0.001 0.000 0.215 379 Q C 0.409 176.495 176.000 0.144 0.000 1.020 379 Q CA 0.375 56.276 55.803 0.164 0.000 0.970 379 Q CB 1.061 29.906 28.738 0.180 0.000 1.187 379 Q HN 0.091 nan 8.270 nan 0.000 0.546 380 E N 0.238 120.481 120.200 0.071 0.000 3.015 380 E HA 0.094 4.445 4.350 0.001 0.000 0.334 380 E C -0.389 176.233 176.600 0.036 0.000 0.651 380 E CA -0.164 56.277 56.400 0.068 0.000 1.585 380 E CB 0.341 30.056 29.700 0.025 0.000 2.009 380 E HN 0.404 nan 8.360 nan 0.000 0.525 381 N N 0.623 119.332 118.700 0.015 0.000 2.434 381 N HA 0.256 4.997 4.740 0.001 0.000 0.272 381 N C -1.317 174.166 175.510 -0.046 0.000 1.040 381 N CA -0.005 53.049 53.050 0.008 0.000 0.956 381 N CB 1.763 40.287 38.487 0.061 0.000 1.108 381 N HN -0.053 nan 8.380 nan 0.000 0.481 382 V N 2.428 122.280 119.914 -0.103 0.000 2.686 382 V HA 0.318 4.439 4.120 0.001 0.000 0.306 382 V C -0.607 175.386 176.094 -0.169 0.000 1.065 382 V CA -0.928 61.202 62.300 -0.284 0.000 0.894 382 V CB 2.262 33.700 31.823 -0.641 0.000 1.004 382 V HN 0.433 nan 8.190 nan 0.000 0.424 383 L N 6.301 127.426 121.223 -0.162 0.000 2.287 383 L HA 0.747 5.088 4.340 0.001 0.000 0.287 383 L C -0.643 176.165 176.870 -0.104 0.000 1.022 383 L CA 0.059 54.873 54.840 -0.044 0.000 0.814 383 L CB 1.562 43.604 42.059 -0.029 0.000 1.217 383 L HN 0.457 nan 8.230 nan 0.000 0.420 384 V N 7.122 127.002 119.914 -0.057 0.000 2.334 384 V HA 0.421 4.542 4.120 0.001 0.000 0.281 384 V C 0.151 176.267 176.094 0.037 0.000 1.016 384 V CA -0.391 61.907 62.300 -0.003 0.000 0.832 384 V CB 1.226 33.040 31.823 -0.015 0.000 0.999 384 V HN 0.607 nan 8.190 nan 0.000 0.439 385 I N 5.917 126.522 120.570 0.059 0.000 2.306 385 I HA 0.440 4.610 4.170 0.001 0.000 0.288 385 I C 0.609 176.738 176.117 0.020 0.000 1.036 385 I CA -0.148 61.175 61.300 0.038 0.000 1.221 385 I CB 0.549 38.567 38.000 0.029 0.000 1.385 385 I HN 0.864 nan 8.210 nan 0.000 0.472 386 C N 3.959 123.242 119.300 -0.028 0.000 4.337 386 C HA 0.632 5.093 4.460 0.001 0.000 0.261 386 C C 0.082 174.891 174.990 -0.301 0.000 4.123 386 C CA -0.624 58.356 59.018 -0.064 0.000 1.751 386 C CB 1.587 29.384 27.740 0.094 0.000 4.928 386 C HN 0.605 nan 8.230 nan 0.000 0.515 387 H N -0.263 118.857 119.070 0.084 0.000 2.855 387 H HA 0.351 4.908 4.556 0.002 0.000 0.363 387 H C 0.410 175.757 175.328 0.033 0.000 1.185 387 H CA -0.073 56.021 56.048 0.076 0.000 1.174 387 H CB 1.678 31.513 29.762 0.122 0.000 1.857 387 H HN 0.776 nan 8.280 nan 0.000 0.565 388 Q N 1.230 121.120 119.800 0.150 0.000 1.967 388 Q HA -0.211 4.130 4.340 0.001 0.000 0.210 388 Q C 2.012 178.096 176.000 0.140 0.000 1.005 388 Q CA 2.440 58.310 55.803 0.112 0.000 0.862 388 Q CB -0.222 28.585 28.738 0.115 0.000 0.939 388 Q HN 0.774 nan 8.270 nan 0.000 0.417 389 A N -0.215 122.678 122.820 0.122 0.000 1.917 389 A HA -0.188 4.133 4.320 0.001 0.000 0.219 389 A C 2.271 179.879 177.584 0.040 0.000 1.182 389 A CA 1.852 53.923 52.037 0.056 0.000 0.633 389 A CB -0.992 17.857 19.000 -0.251 0.000 0.819 389 A HN 0.368 nan 8.150 nan 0.000 0.448 390 V N -0.290 119.657 119.914 0.055 0.000 2.287 390 V HA -0.245 3.876 4.120 0.001 0.000 0.248 390 V C 2.487 178.674 176.094 0.154 0.000 1.053 390 V CA 2.011 64.370 62.300 0.098 0.000 1.027 390 V CB -0.812 31.097 31.823 0.144 0.000 0.646 390 V HN 0.602 nan 8.190 nan 0.000 0.447 391 L N 0.263 121.574 121.223 0.146 0.000 2.083 391 L HA -0.152 4.189 4.340 0.001 0.000 0.209 391 L C 2.534 179.513 176.870 0.182 0.000 1.083 391 L CA 1.857 56.781 54.840 0.140 0.000 0.752 391 L CB -0.858 41.255 42.059 0.090 0.000 0.899 391 L HN 0.222 nan 8.230 nan 0.000 0.433 392 R N -1.637 118.988 120.500 0.208 0.000 2.083 392 R HA -0.197 4.144 4.340 0.001 0.000 0.237 392 R C 2.413 178.897 176.300 0.306 0.000 1.137 392 R CA 1.716 57.965 56.100 0.248 0.000 0.951 392 R CB -1.175 29.307 30.300 0.303 0.000 0.851 392 R HN 0.429 nan 8.270 nan 0.000 0.434 393 C N 0.903 120.413 119.300 0.350 0.000 2.393 393 C HA -0.148 4.312 4.460 0.001 0.000 0.276 393 C C 2.649 177.943 174.990 0.507 0.000 1.215 393 C CA 0.932 60.225 59.018 0.458 0.000 1.743 393 C CB -0.992 26.978 27.740 0.384 0.000 2.044 393 C HN 0.437 nan 8.230 nan 0.000 0.464 394 L N -0.244 121.193 121.223 0.357 0.000 2.017 394 L HA -0.167 4.173 4.340 0.001 0.000 0.208 394 L C 2.497 179.594 176.870 0.378 0.000 1.073 394 L CA 1.108 56.123 54.840 0.292 0.000 0.745 394 L CB -0.869 41.362 42.059 0.287 0.000 0.894 394 L HN 0.320 nan 8.230 nan 0.000 0.432 395 L N 0.392 121.809 121.223 0.322 0.000 2.083 395 L HA -0.153 4.188 4.340 0.001 0.000 0.209 395 L C 2.664 179.680 176.870 0.243 0.000 1.083 395 L CA 1.911 56.918 54.840 0.279 0.000 0.752 395 L CB -0.697 41.469 42.059 0.178 0.000 0.899 395 L HN 0.169 nan 8.230 nan 0.000 0.433 396 A N -1.609 121.366 122.820 0.259 0.000 1.972 396 A HA -0.290 4.031 4.320 0.001 0.000 0.219 396 A C 2.242 179.924 177.584 0.162 0.000 1.169 396 A CA 1.843 54.023 52.037 0.239 0.000 0.635 396 A CB -1.030 18.176 19.000 0.343 0.000 0.810 396 A HN 0.643 nan 8.150 nan 0.000 0.446 397 Y N -0.713 119.502 120.300 -0.142 0.000 2.153 397 Y HA -0.123 4.428 4.550 0.002 0.000 0.289 397 Y C 1.872 177.534 175.900 -0.397 0.000 1.127 397 Y CA 1.799 59.518 58.100 -0.634 0.000 1.131 397 Y CB -0.521 37.067 38.460 -1.454 0.000 0.995 397 Y HN 0.245 nan 8.280 nan 0.000 0.505 398 F N -0.592 119.224 119.950 -0.224 0.000 2.234 398 F HA -0.131 4.397 4.527 0.001 0.000 0.299 398 F C 1.484 177.161 175.800 -0.205 0.000 1.087 398 F CA 0.730 58.574 58.000 -0.260 0.000 1.340 398 F CB -0.246 38.708 39.000 -0.077 0.000 1.031 398 F HN 0.082 nan 8.300 nan 0.000 0.500 399 L N -0.558 120.695 121.223 0.050 0.000 2.700 399 L HA 0.109 4.450 4.340 0.001 0.000 0.234 399 L C 0.209 177.064 176.870 -0.025 0.000 1.156 399 L CA -0.091 54.758 54.840 0.014 0.000 0.946 399 L CB -0.991 41.095 42.059 0.045 0.000 1.216 399 L HN 0.031 nan 8.230 nan 0.000 0.493 400 D N 1.329 121.685 120.400 -0.073 0.000 2.803 400 D HA -0.200 4.441 4.640 0.001 0.000 0.233 400 D C -0.198 176.100 176.300 -0.004 0.000 1.182 400 D CA 0.564 54.528 54.000 -0.060 0.000 0.726 400 D CB 0.035 40.783 40.800 -0.086 0.000 0.987 400 D HN 0.074 nan 8.370 nan 0.000 0.412 401 K N 1.038 121.463 120.400 0.042 0.000 2.235 401 K HA 0.294 4.615 4.320 0.001 0.000 0.266 401 K C 0.684 177.305 176.600 0.035 0.000 0.980 401 K CA -0.560 55.752 56.287 0.042 0.000 0.849 401 K CB 1.605 34.145 32.500 0.066 0.000 1.098 401 K HN 0.344 nan 8.250 nan 0.000 0.445 402 S N 1.053 116.746 115.700 -0.011 0.000 2.563 402 S HA -0.011 4.460 4.470 0.001 0.000 0.269 402 S C 1.366 175.880 174.600 -0.144 0.000 1.364 402 S CA 0.265 58.427 58.200 -0.064 0.000 1.010 402 S CB 0.666 63.828 63.200 -0.065 0.000 0.877 402 S HN 0.592 nan 8.310 nan 0.000 0.549 403 A N 0.386 123.015 122.820 -0.318 0.000 2.067 403 A HA -0.050 4.271 4.320 0.001 0.000 0.219 403 A C 2.140 179.407 177.584 -0.529 0.000 1.158 403 A CA 1.404 53.002 52.037 -0.730 0.000 0.661 403 A CB -0.854 17.332 19.000 -1.355 0.000 0.801 403 A HN 0.984 nan 8.150 nan 0.000 0.452 404 E N 0.263 120.312 120.200 -0.253 0.000 2.107 404 E HA -0.188 4.163 4.350 0.001 0.000 0.191 404 E C 1.791 178.395 176.600 0.007 0.000 0.982 404 E CA 1.279 57.623 56.400 -0.094 0.000 0.809 404 E CB -0.035 29.641 29.700 -0.041 0.000 0.756 404 E HN 0.906 nan 8.360 nan 0.000 0.459 405 E N 0.112 120.309 120.200 -0.005 0.000 2.400 405 E HA -0.063 4.287 4.350 0.001 0.000 0.195 405 E C 2.204 178.839 176.600 0.058 0.000 1.012 405 E CA -0.009 56.432 56.400 0.068 0.000 0.875 405 E CB -0.297 29.427 29.700 0.040 0.000 0.859 405 E HN 0.200 nan 8.360 nan 0.000 0.498 406 M N 2.589 122.184 119.600 -0.010 0.000 2.082 406 M HA -0.084 4.396 4.480 0.001 0.000 0.258 406 M C -0.737 175.495 176.300 -0.113 0.000 1.071 406 M CA 1.983 57.293 55.300 0.016 0.000 1.103 406 M CB -0.873 31.768 32.600 0.068 0.000 1.307 406 M HN -0.026 nan 8.290 nan 0.000 0.409 407 P HA -0.139 nan 4.420 nan 0.000 0.236 407 P C -0.051 176.752 177.300 -0.829 0.000 1.172 407 P CA 1.425 63.914 63.100 -1.019 0.000 0.759 407 P CB -0.394 30.506 31.700 -1.333 0.000 0.843 408 Y N -1.449 118.765 120.300 -0.143 0.000 2.527 408 Y HA 0.263 4.814 4.550 0.001 0.000 0.247 408 Y C 1.419 177.365 175.900 0.078 0.000 1.138 408 Y CA -0.667 57.393 58.100 -0.066 0.000 1.228 408 Y CB 0.108 38.535 38.460 -0.054 0.000 1.252 408 Y HN -0.235 nan 8.280 nan 0.000 0.531 409 L N 1.599 122.924 121.223 0.170 0.000 2.506 409 L HA -0.007 4.334 4.340 0.001 0.000 0.281 409 L C 0.509 177.530 176.870 0.253 0.000 1.228 409 L CA 0.356 55.304 54.840 0.181 0.000 0.850 409 L CB 0.456 42.597 42.059 0.136 0.000 1.110 409 L HN 0.071 nan 8.230 nan 0.000 0.496 410 K N 1.979 122.495 120.400 0.194 0.000 2.267 410 K HA 0.302 4.623 4.320 0.001 0.000 0.282 410 K C -1.261 175.399 176.600 0.100 0.000 1.078 410 K CA -0.432 55.946 56.287 0.152 0.000 0.903 410 K CB 0.410 32.838 32.500 -0.119 0.000 1.111 410 K HN 0.604 nan 8.250 nan 0.000 0.475 411 C N 7.303 126.687 119.300 0.139 0.000 3.003 411 C HA 0.311 4.772 4.460 0.001 0.000 0.241 411 C C -2.141 172.865 174.990 0.026 0.000 1.224 411 C CA -1.625 57.432 59.018 0.065 0.000 1.560 411 C CB -0.316 27.471 27.740 0.079 0.000 1.768 411 C HN 0.724 nan 8.230 nan 0.000 0.440 412 P HA 0.163 nan 4.420 nan 0.000 0.270 412 P C -0.361 176.859 177.300 -0.133 0.000 1.223 412 P CA 0.166 63.226 63.100 -0.066 0.000 0.785 412 P CB 1.089 32.732 31.700 -0.095 0.000 0.923 413 L N 1.750 122.844 121.223 -0.215 0.000 2.452 413 L HA 0.098 4.439 4.340 0.001 0.000 0.267 413 L C 1.180 177.804 176.870 -0.411 0.000 1.188 413 L CA -0.166 54.423 54.840 -0.418 0.000 0.821 413 L CB -0.624 41.084 42.059 -0.586 0.000 1.102 413 L HN 0.556 nan 8.230 nan 0.000 0.470 414 H N -0.906 117.745 119.070 -0.698 0.000 2.958 414 H HA -0.143 4.413 4.556 0.001 0.000 0.274 414 H C -0.293 174.825 175.328 -0.350 0.000 1.184 414 H CA 0.834 56.266 56.048 -1.026 0.000 1.143 414 H CB -2.291 27.137 29.762 -0.557 0.000 1.297 414 H HN 0.606 nan 8.280 nan 0.000 0.356 415 T N 0.448 114.949 114.554 -0.088 0.000 2.807 415 T HA 0.581 4.932 4.350 0.001 0.000 0.279 415 T C 0.489 175.176 174.700 -0.021 0.000 0.993 415 T CA -0.647 61.469 62.100 0.027 0.000 0.970 415 T CB 2.764 71.660 68.868 0.046 0.000 0.950 415 T HN 0.002 nan 8.240 nan 0.000 0.441 416 V N 4.751 124.625 119.914 -0.067 0.000 2.370 416 V HA 0.361 4.482 4.120 0.001 0.000 0.279 416 V C -0.046 176.029 176.094 -0.032 0.000 1.029 416 V CA -0.762 61.485 62.300 -0.088 0.000 0.870 416 V CB 0.966 32.586 31.823 -0.337 0.000 0.984 416 V HN 0.729 nan 8.190 nan 0.000 0.451 417 L N 5.493 126.718 121.223 0.003 0.000 2.260 417 L HA 0.477 4.818 4.340 0.001 0.000 0.289 417 L C 0.325 177.185 176.870 -0.017 0.000 1.057 417 L CA -0.235 54.599 54.840 -0.010 0.000 0.811 417 L CB 0.933 42.976 42.059 -0.027 0.000 1.184 417 L HN 0.570 nan 8.230 nan 0.000 0.429 418 K N 5.438 125.827 120.400 -0.019 0.000 2.292 418 K HA 0.459 4.780 4.320 0.001 0.000 0.270 418 K C -1.023 175.459 176.600 -0.197 0.000 1.062 418 K CA -0.490 55.725 56.287 -0.119 0.000 0.916 418 K CB 0.589 33.103 32.500 0.024 0.000 1.166 418 K HN 0.556 nan 8.250 nan 0.000 0.458 419 L N 4.639 125.677 121.223 -0.310 0.000 2.264 419 L HA 0.344 4.685 4.340 0.001 0.000 0.289 419 L C 0.055 176.761 176.870 -0.274 0.000 1.044 419 L CA -0.600 54.069 54.840 -0.286 0.000 0.807 419 L CB 1.472 43.278 42.059 -0.421 0.000 1.192 419 L HN 0.711 nan 8.230 nan 0.000 0.425 420 T N 0.727 115.176 114.554 -0.176 0.000 2.876 420 T HA 0.557 4.908 4.350 0.001 0.000 0.289 420 T C -2.760 171.891 174.700 -0.082 0.000 1.014 420 T CA -2.285 59.733 62.100 -0.137 0.000 0.986 420 T CB 2.024 70.824 68.868 -0.113 0.000 1.021 420 T HN 0.254 nan 8.240 nan 0.000 0.458 421 P HA 0.389 nan 4.420 nan 0.000 0.276 421 P C -0.914 176.368 177.300 -0.031 0.000 1.235 421 P CA -0.339 62.745 63.100 -0.027 0.000 0.772 421 P CB 1.278 32.965 31.700 -0.022 0.000 0.871 422 V N 2.811 122.715 119.914 -0.016 0.000 2.817 422 V HA 0.528 4.648 4.120 0.001 0.000 0.303 422 V C 0.392 176.467 176.094 -0.031 0.000 1.151 422 V CA 0.466 62.745 62.300 -0.035 0.000 0.929 422 V CB 1.170 32.972 31.823 -0.035 0.000 1.030 422 V HN 0.954 nan 8.190 nan 0.000 0.427 423 A N 5.779 128.542 122.820 -0.095 0.000 5.236 423 A HA -0.330 3.991 4.320 0.001 0.000 0.326 423 A C 0.718 178.183 177.584 -0.198 0.000 1.825 423 A CA 2.420 54.335 52.037 -0.204 0.000 0.710 423 A CB -1.988 16.954 19.000 -0.097 0.000 1.383 423 A HN 1.685 nan 8.150 nan 0.000 0.386 424 Y N 0.451 120.798 120.300 0.077 0.000 2.478 424 Y HA 0.452 5.003 4.550 0.001 0.000 0.261 424 Y C 1.845 177.701 175.900 -0.072 0.000 1.127 424 Y CA 0.779 58.914 58.100 0.057 0.000 1.288 424 Y CB 0.173 38.629 38.460 -0.007 0.000 1.084 424 Y HN 0.914 nan 8.280 nan 0.000 0.530 425 G N -1.456 107.392 108.800 0.081 0.000 3.247 425 G HA2 0.424 4.385 3.960 0.001 0.000 0.199 425 G HA3 0.424 4.385 3.960 0.001 0.000 0.199 425 G C -1.515 173.389 174.900 0.007 0.000 1.172 425 G CA -0.447 44.656 45.100 0.004 0.000 0.844 425 G HN -0.021 nan 8.290 nan 0.000 0.619 426 C N 0.127 119.427 119.300 0.001 0.000 2.417 426 C HA 0.755 5.216 4.460 0.001 0.000 0.324 426 C C 0.381 175.361 174.990 -0.017 0.000 1.240 426 C CA -0.670 58.349 59.018 0.000 0.000 1.632 426 C CB 0.986 28.748 27.740 0.038 0.000 2.241 426 C HN 0.687 nan 8.230 nan 0.000 0.499 427 R N 2.092 122.570 120.500 -0.036 0.000 2.368 427 R HA 0.713 5.054 4.340 0.001 0.000 0.302 427 R C -1.167 175.101 176.300 -0.055 0.000 1.002 427 R CA -0.163 55.914 56.100 -0.038 0.000 0.929 427 R CB 1.237 31.514 30.300 -0.039 0.000 1.073 427 R HN 0.606 nan 8.270 nan 0.000 0.464 428 V N 3.753 123.643 119.914 -0.040 0.000 2.628 428 V HA 0.442 4.563 4.120 0.001 0.000 0.306 428 V C -1.136 174.941 176.094 -0.027 0.000 1.045 428 V CA -0.468 61.805 62.300 -0.045 0.000 0.905 428 V CB 1.964 33.767 31.823 -0.032 0.000 0.997 428 V HN 0.922 nan 8.190 nan 0.000 0.436 429 E N 3.547 123.733 120.200 -0.023 0.000 2.246 429 E HA 0.404 4.755 4.350 0.001 0.000 0.266 429 E C -1.305 175.304 176.600 0.015 0.000 0.880 429 E CA -0.400 56.003 56.400 0.006 0.000 0.762 429 E CB 2.148 31.864 29.700 0.027 0.000 1.180 429 E HN 0.628 nan 8.360 nan 0.000 0.416 430 S N 3.031 118.741 115.700 0.017 0.000 2.541 430 S HA 0.577 5.048 4.470 0.001 0.000 0.283 430 S C -0.470 174.150 174.600 0.033 0.000 1.196 430 S CA -0.434 57.776 58.200 0.016 0.000 1.062 430 S CB 0.321 63.525 63.200 0.006 0.000 1.009 430 S HN 0.418 nan 8.310 nan 0.000 0.502 431 I N 4.936 125.514 120.570 0.013 0.000 2.540 431 I HA 0.201 4.372 4.170 0.001 0.000 0.280 431 I C -1.381 174.739 176.117 0.005 0.000 1.083 431 I CA -0.711 60.590 61.300 0.001 0.000 1.080 431 I CB 1.199 39.148 38.000 -0.085 0.000 1.205 431 I HN 0.618 nan 8.210 nan 0.000 0.459 432 Y N 6.645 126.914 120.300 -0.053 0.000 2.393 432 Y HA 0.307 4.858 4.550 0.001 0.000 0.338 432 Y C 0.630 176.522 175.900 -0.012 0.000 1.029 432 Y CA -0.383 57.695 58.100 -0.036 0.000 1.239 432 Y CB 0.891 39.339 38.460 -0.020 0.000 1.170 432 Y HN 0.500 nan 8.280 nan 0.000 0.515 433 L N 5.545 126.535 121.223 -0.389 0.000 2.713 433 L HA -0.048 4.293 4.340 0.001 0.000 0.245 433 L C 0.607 177.191 176.870 -0.477 0.000 1.169 433 L CA 0.343 54.995 54.840 -0.313 0.000 0.962 433 L CB -1.116 40.903 42.059 -0.067 0.000 1.161 433 L HN 0.835 nan 8.230 nan 0.000 0.427 434 N N 0.682 118.817 118.700 -0.941 0.000 2.671 434 N HA -0.186 4.554 4.740 0.001 0.000 0.261 434 N C -1.372 173.920 175.510 -0.363 0.000 1.053 434 N CA 0.334 53.026 53.050 -0.597 0.000 0.732 434 N CB -0.593 37.795 38.487 -0.165 0.000 0.887 434 N HN 0.077 nan 8.380 nan 0.000 0.546 435 V N 1.471 121.132 119.914 -0.421 0.000 2.655 435 V HA 0.260 4.381 4.120 0.001 0.000 0.301 435 V C 0.117 176.353 176.094 0.237 0.000 1.082 435 V CA -1.061 61.191 62.300 -0.080 0.000 0.899 435 V CB 1.843 33.538 31.823 -0.213 0.000 1.014 435 V HN 0.211 nan 8.190 nan 0.000 0.429 436 E N 2.523 122.865 120.200 0.237 0.000 2.442 436 E HA 0.448 4.799 4.350 0.001 0.000 0.260 436 E C 0.260 177.040 176.600 0.299 0.000 1.148 436 E CA 0.333 56.890 56.400 0.262 0.000 0.976 436 E CB 1.265 31.058 29.700 0.154 0.000 0.967 436 E HN 0.995 nan 8.360 nan 0.000 0.454 437 S N -1.771 114.026 115.700 0.162 0.000 2.633 437 S HA 0.258 4.729 4.470 0.001 0.000 0.271 437 S C -0.266 174.332 174.600 -0.003 0.000 1.112 437 S CA -0.467 57.760 58.200 0.045 0.000 0.828 437 S CB -0.026 63.012 63.200 -0.271 0.000 1.086 437 S HN 0.378 nan 8.310 nan 0.000 0.461 438 V N -1.030 118.880 119.914 -0.007 0.000 3.611 438 V HA 0.630 4.751 4.120 0.001 0.000 0.296 438 V C 0.855 176.936 176.094 -0.022 0.000 1.091 438 V CA -0.179 62.123 62.300 0.004 0.000 1.103 438 V CB 0.466 32.308 31.823 0.031 0.000 1.157 438 V HN 1.451 nan 8.190 nan 0.000 0.471 439 C N 2.550 121.851 119.300 0.001 0.000 2.301 439 C HA 0.678 5.138 4.460 0.001 0.000 0.323 439 C C 1.367 176.383 174.990 0.043 0.000 1.265 439 C CA 0.305 59.325 59.018 0.003 0.000 1.503 439 C CB -0.034 27.706 27.740 -0.001 0.000 2.195 439 C HN 1.213 nan 8.230 nan 0.000 0.477 440 T N 1.192 115.780 114.554 0.057 0.000 3.163 440 T HA 0.162 4.513 4.350 0.001 0.000 0.252 440 T C 0.452 175.206 174.700 0.089 0.000 1.056 440 T CA 0.206 62.360 62.100 0.091 0.000 0.947 440 T CB -0.604 68.329 68.868 0.108 0.000 1.016 440 T HN 0.842 nan 8.240 nan 0.000 0.554 441 H N 2.611 121.683 119.070 0.002 0.000 2.487 441 H HA 0.504 5.061 4.556 0.002 0.000 0.333 441 H C -0.208 175.107 175.328 -0.021 0.000 1.114 441 H CA -0.362 55.687 56.048 0.001 0.000 1.310 441 H CB 0.882 30.642 29.762 -0.004 0.000 1.462 441 H HN 0.479 nan 8.280 nan 0.000 0.516 442 R N 3.503 123.826 120.500 -0.295 0.000 2.508 442 R HA 0.278 4.619 4.340 0.001 0.000 0.283 442 R C -0.766 175.487 176.300 -0.079 0.000 1.120 442 R CA -0.982 55.050 56.100 -0.113 0.000 0.958 442 R CB 1.734 31.901 30.300 -0.221 0.000 1.215 442 R HN 0.444 nan 8.270 nan 0.000 0.427 443 E N 2.697 122.942 120.200 0.076 0.000 2.421 443 E HA 0.169 4.520 4.350 0.001 0.000 0.253 443 E C 0.004 176.610 176.600 0.011 0.000 1.277 443 E CA -0.413 56.034 56.400 0.079 0.000 0.968 443 E CB 0.671 30.397 29.700 0.043 0.000 1.040 443 E HN 0.432 nan 8.360 nan 0.000 0.512 444 R N 0.183 120.571 120.500 -0.186 0.000 2.539 444 R HA 0.408 4.748 4.340 0.001 0.000 0.275 444 R C 0.028 176.267 176.300 -0.102 0.000 1.077 444 R CA -0.100 55.882 56.100 -0.198 0.000 1.097 444 R CB 0.522 30.550 30.300 -0.452 0.000 1.018 444 R HN 0.283 nan 8.270 nan 0.000 0.483 445 S N 0.000 115.666 115.700 -0.057 0.000 2.498 445 S HA 0.000 4.471 4.470 0.001 0.000 0.327 445 S CA 0.000 58.184 58.200 -0.027 0.000 1.107 445 S CB 0.000 63.202 63.200 0.004 0.000 0.593 445 S HN 0.000 nan 8.310 nan 0.000 0.517