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 3my5_1_A DATA FIRST_RESID -1 DATA SEQUENCE GSMENFQKVE KIGEGTYGVV YKARNKLTGE VVALKKIRLX XXTEGVPSTA DATA SEQUENCE IREISLLKEL NHPNIVKLLD VIHTENKLYL VFEFLHQDLK KFMDASALTG DATA SEQUENCE IPLPLIKSYL FQLLQGLAFC HSHRVLHRDL KPQNLLINTE GAIKLADFGL DATA SEQUENCE ARAFGVPVRT YXHEVVTLWY RAPEILLGCK YYSTAVDIWS LGCIFAEMVT DATA SEQUENCE RRALFPGDSE IDQLFRIFRT LGTPDEVVWP GVTSMPDYKP SFPKWARQDF DATA SEQUENCE SKVVPPLDED GRSLLSQMLH YDPNKRISAK AALAHPFFQD VTKPVPHLRL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f -1 G HA2 0.000 nan 3.960 nan 0.000 0.244 -1 G HA3 0.000 3.974 3.960 0.023 0.000 0.244 -1 G C 0.000 174.913 174.900 0.022 0.000 0.946 -1 G CA 0.000 45.117 45.100 0.028 0.000 0.502 0 S N 1.502 117.210 115.700 0.013 0.000 2.542 0 S HA 0.431 4.915 4.470 0.023 0.000 0.276 0 S C 0.821 175.435 174.600 0.024 0.000 1.148 0 S CA -0.770 57.431 58.200 0.000 0.000 0.886 0 S CB 1.675 64.844 63.200 -0.052 0.000 1.109 0 S HN 0.418 nan 8.310 nan 0.000 0.458 1 M N 1.221 120.840 119.600 0.031 0.000 2.346 1 M HA -0.030 4.464 4.480 0.023 0.000 0.263 1 M C 1.862 178.162 176.300 0.000 0.000 1.064 1 M CA 1.546 56.865 55.300 0.033 0.000 1.083 1 M CB -1.546 30.982 32.600 -0.120 0.000 1.399 1 M HN 0.990 nan 8.290 nan 0.000 0.435 2 E N 0.820 120.985 120.200 -0.058 0.000 2.274 2 E HA -0.106 4.258 4.350 0.023 0.000 0.194 2 E C 1.382 177.901 176.600 -0.134 0.000 0.996 2 E CA 0.985 57.337 56.400 -0.079 0.000 0.840 2 E CB -0.149 29.507 29.700 -0.073 0.000 0.772 2 E HN 0.393 nan 8.360 nan 0.000 0.491 3 N N -0.299 118.249 118.700 -0.252 0.000 2.515 3 N HA -0.031 4.723 4.740 0.023 0.000 0.185 3 N C -0.705 174.501 175.510 -0.508 0.000 1.109 3 N CA 0.382 53.184 53.050 -0.413 0.000 0.903 3 N CB 0.058 38.207 38.487 -0.564 0.000 0.969 3 N HN 0.097 nan 8.380 nan 0.000 0.450 4 F N 0.662 120.552 119.950 -0.100 0.000 2.436 4 F HA 0.325 4.867 4.527 0.024 0.000 0.340 4 F C 0.615 176.352 175.800 -0.105 0.000 1.113 4 F CA -1.077 56.861 58.000 -0.104 0.000 1.022 4 F CB 1.357 40.278 39.000 -0.132 0.000 1.128 4 F HN -0.253 nan 8.300 nan 0.000 0.466 5 Q N 3.601 123.463 119.800 0.103 0.000 2.347 5 Q HA 0.326 4.680 4.340 0.023 0.000 0.262 5 Q C -0.973 175.037 176.000 0.017 0.000 0.980 5 Q CA -0.586 55.233 55.803 0.027 0.000 0.867 5 Q CB 1.037 29.775 28.738 0.000 0.000 1.242 5 Q HN 0.495 nan 8.270 nan 0.000 0.453 6 K N 2.362 122.746 120.400 -0.026 0.000 2.350 6 K HA 0.161 4.495 4.320 0.023 0.000 0.279 6 K C 0.107 176.702 176.600 -0.007 0.000 1.027 6 K CA -0.185 56.078 56.287 -0.041 0.000 0.969 6 K CB 1.055 33.467 32.500 -0.147 0.000 0.954 6 K HN 0.522 nan 8.250 nan 0.000 0.474 7 V N 2.039 121.963 119.914 0.016 0.000 2.627 7 V HA -0.001 4.133 4.120 0.023 0.000 0.239 7 V C 0.163 176.288 176.094 0.050 0.000 1.077 7 V CA 0.961 63.265 62.300 0.006 0.000 1.103 7 V CB -0.094 31.698 31.823 -0.051 0.000 0.802 7 V HN 0.999 nan 8.190 nan 0.000 0.482 8 E N -0.631 119.635 120.200 0.110 0.000 2.427 8 E HA 0.285 4.649 4.350 0.023 0.000 0.279 8 E C -1.041 175.677 176.600 0.197 0.000 1.120 8 E CA -0.892 55.594 56.400 0.144 0.000 0.869 8 E CB 1.361 31.104 29.700 0.071 0.000 1.393 8 E HN 0.060 nan 8.360 nan 0.000 0.443 9 K N 1.439 121.895 120.400 0.093 0.000 2.218 9 K HA 0.338 4.672 4.320 0.023 0.000 0.276 9 K C 0.505 177.067 176.600 -0.064 0.000 1.022 9 K CA -0.169 56.032 56.287 -0.143 0.000 0.946 9 K CB 0.567 32.939 32.500 -0.213 0.000 1.000 9 K HN 0.668 nan 8.250 nan 0.000 0.468 10 I N -0.492 120.029 120.570 -0.082 0.000 4.439 10 I HA 0.431 4.616 4.170 0.023 0.000 0.331 10 I C 0.387 176.481 176.117 -0.038 0.000 1.345 10 I CA -0.537 60.762 61.300 -0.003 0.000 1.193 10 I CB 1.088 39.149 38.000 0.102 0.000 1.221 10 I HN 0.680 nan 8.210 nan 0.000 0.429 11 G N 0.816 109.560 108.800 -0.092 0.000 2.342 11 G HA2 0.510 4.484 3.960 0.023 0.000 0.297 11 G HA3 0.510 4.484 3.960 0.023 0.000 0.297 11 G C -2.092 172.744 174.900 -0.107 0.000 1.313 11 G CA -0.412 44.638 45.100 -0.084 0.000 0.830 11 G HN 0.216 nan 8.290 nan 0.000 0.506 12 E N -1.818 118.333 120.200 -0.082 0.000 2.388 12 E HA 0.589 4.953 4.350 0.023 0.000 0.280 12 E C 0.039 176.602 176.600 -0.062 0.000 1.019 12 E CA -0.029 56.326 56.400 -0.075 0.000 0.806 12 E CB 1.751 31.405 29.700 -0.076 0.000 1.246 12 E HN 1.180 nan 8.360 nan 0.000 0.443 13 G N 0.801 109.569 108.800 -0.054 0.000 3.453 13 G HA2 0.446 4.420 3.960 0.023 0.000 0.165 13 G HA3 0.446 4.420 3.960 0.023 0.000 0.165 13 G C -1.058 173.790 174.900 -0.085 0.000 1.220 13 G CA 0.160 45.223 45.100 -0.061 0.000 1.305 13 G HN 0.528 nan 8.290 nan 0.000 0.695 14 T N -0.498 114.011 114.554 -0.074 0.000 2.916 14 T HA 0.526 4.890 4.350 0.023 0.000 0.305 14 T C -1.647 173.198 174.700 0.241 0.000 1.119 14 T CA -0.346 61.671 62.100 -0.138 0.000 1.008 14 T CB 2.110 70.576 68.868 -0.669 0.000 1.129 14 T HN 0.322 nan 8.240 nan 0.000 0.480 15 Y N 0.829 121.126 120.300 -0.004 0.000 2.685 15 Y HA 0.630 5.191 4.550 0.019 0.000 0.339 15 Y C 1.246 177.138 175.900 -0.015 0.000 0.961 15 Y CA -1.212 56.881 58.100 -0.011 0.000 1.330 15 Y CB 0.707 39.160 38.460 -0.012 0.000 1.269 15 Y HN 1.080 nan 8.280 nan 0.000 0.566 16 G N -1.118 107.743 108.800 0.103 0.000 4.449 16 G HA2 0.122 4.097 3.960 0.023 0.000 0.195 16 G HA3 0.122 4.097 3.960 0.023 0.000 0.195 16 G C -0.836 174.074 174.900 0.016 0.000 0.806 16 G CA -0.282 44.855 45.100 0.061 0.000 0.774 16 G HN 0.039 nan 8.290 nan 0.000 0.508 17 V N 1.593 121.518 119.914 0.018 0.000 2.607 17 V HA 0.581 4.715 4.120 0.023 0.000 0.289 17 V C 0.143 176.205 176.094 -0.054 0.000 1.053 17 V CA -0.481 61.782 62.300 -0.061 0.000 0.996 17 V CB 1.772 33.549 31.823 -0.075 0.000 0.995 17 V HN 0.034 nan 8.190 nan 0.000 0.476 18 V N 5.169 124.985 119.914 -0.162 0.000 2.448 18 V HA 0.478 4.612 4.120 0.023 0.000 0.295 18 V C -0.969 175.000 176.094 -0.208 0.000 1.025 18 V CA -0.738 61.521 62.300 -0.068 0.000 0.859 18 V CB 1.336 33.146 31.823 -0.022 0.000 0.988 18 V HN 0.722 nan 8.190 nan 0.000 0.431 19 Y N 2.441 122.795 120.300 0.089 0.000 2.446 19 Y HA 0.487 5.051 4.550 0.023 0.000 0.338 19 Y C 0.381 176.319 175.900 0.063 0.000 1.055 19 Y CA -0.777 57.362 58.100 0.066 0.000 1.101 19 Y CB 1.632 40.123 38.460 0.052 0.000 1.221 19 Y HN 0.493 nan 8.280 nan 0.000 0.460 20 K N 2.125 122.639 120.400 0.190 0.000 2.276 20 K HA 0.746 5.080 4.320 0.023 0.000 0.283 20 K C -0.979 175.624 176.600 0.004 0.000 1.044 20 K CA -0.132 56.180 56.287 0.042 0.000 0.944 20 K CB 0.428 32.856 32.500 -0.121 0.000 1.012 20 K HN 0.830 nan 8.250 nan 0.000 0.472 21 A N 3.862 126.654 122.820 -0.047 0.000 2.530 21 A HA 0.698 5.033 4.320 0.023 0.000 0.288 21 A C -1.463 176.119 177.584 -0.004 0.000 1.172 21 A CA -1.105 50.919 52.037 -0.021 0.000 0.733 21 A CB 1.268 20.250 19.000 -0.030 0.000 1.320 21 A HN 0.925 nan 8.150 nan 0.000 0.419 22 R N 0.797 121.342 120.500 0.074 0.000 2.686 22 R HA 0.524 4.878 4.340 0.023 0.000 0.283 22 R C -1.072 175.328 176.300 0.167 0.000 0.978 22 R CA -0.760 55.394 56.100 0.090 0.000 0.897 22 R CB 1.295 31.596 30.300 0.002 0.000 1.192 22 R HN 0.557 nan 8.270 nan 0.000 0.457 23 N N 2.481 121.268 118.700 0.144 0.000 2.420 23 N HA 0.025 4.779 4.740 0.023 0.000 0.262 23 N C -0.108 175.347 175.510 -0.091 0.000 1.144 23 N CA 0.075 53.092 53.050 -0.055 0.000 0.952 23 N CB 1.130 39.583 38.487 -0.057 0.000 1.081 23 N HN 0.718 nan 8.380 nan 0.000 0.480 24 K N 3.137 123.451 120.400 -0.144 0.000 2.283 24 K HA -0.019 4.316 4.320 0.023 0.000 0.202 24 K C 1.324 177.869 176.600 -0.093 0.000 1.048 24 K CA 0.934 57.162 56.287 -0.098 0.000 0.948 24 K CB 0.348 32.787 32.500 -0.102 0.000 0.742 24 K HN 0.531 nan 8.250 nan 0.000 0.458 25 L N -0.136 121.014 121.223 -0.121 0.000 2.221 25 L HA -0.033 4.321 4.340 0.023 0.000 0.202 25 L C 2.431 179.261 176.870 -0.068 0.000 1.074 25 L CA 1.060 55.843 54.840 -0.095 0.000 0.795 25 L CB -0.220 41.771 42.059 -0.114 0.000 0.960 25 L HN 0.223 nan 8.230 nan 0.000 0.458 26 T N -4.406 110.108 114.554 -0.067 0.000 3.037 26 T HA 0.253 4.617 4.350 0.023 0.000 0.251 26 T C 1.525 176.215 174.700 -0.018 0.000 1.079 26 T CA 0.622 62.700 62.100 -0.036 0.000 1.067 26 T CB 0.810 69.662 68.868 -0.027 0.000 0.948 26 T HN 0.408 nan 8.240 nan 0.000 0.496 27 G N 1.431 110.219 108.800 -0.020 0.000 2.217 27 G HA2 -0.285 3.690 3.960 0.023 0.000 0.246 27 G HA3 -0.285 3.690 3.960 0.023 0.000 0.246 27 G C -0.077 174.832 174.900 0.015 0.000 0.990 27 G CA 0.215 45.313 45.100 -0.004 0.000 0.627 27 G HN 0.874 nan 8.290 nan 0.000 0.522 28 E N 0.809 121.028 120.200 0.032 0.000 2.465 28 E HA 0.357 4.721 4.350 0.023 0.000 0.260 28 E C 0.383 177.029 176.600 0.076 0.000 0.980 28 E CA -0.227 56.210 56.400 0.062 0.000 0.927 28 E CB 0.551 30.300 29.700 0.082 0.000 0.934 28 E HN 0.206 nan 8.360 nan 0.000 0.459 29 V N 5.952 125.898 119.914 0.053 0.000 2.465 29 V HA 0.302 4.436 4.120 0.023 0.000 0.279 29 V C 0.296 176.437 176.094 0.079 0.000 1.045 29 V CA -0.304 61.992 62.300 -0.005 0.000 0.938 29 V CB 0.894 32.642 31.823 -0.125 0.000 0.986 29 V HN 0.579 nan 8.190 nan 0.000 0.467 30 V N 1.887 121.838 119.914 0.061 0.000 3.141 30 V HA 1.044 5.178 4.120 0.023 0.000 0.312 30 V C -0.250 175.944 176.094 0.165 0.000 1.157 30 V CA -1.007 61.373 62.300 0.132 0.000 1.041 30 V CB 2.024 33.873 31.823 0.044 0.000 1.071 30 V HN 1.046 nan 8.190 nan 0.000 0.441 31 A N 2.189 125.153 122.820 0.240 0.000 2.318 31 A HA 0.873 5.207 4.320 0.023 0.000 0.324 31 A C -0.747 176.965 177.584 0.214 0.000 1.170 31 A CA -0.691 51.500 52.037 0.257 0.000 0.810 31 A CB 0.860 20.021 19.000 0.268 0.000 1.198 31 A HN 0.975 nan 8.150 nan 0.000 0.484 32 L N 2.591 123.922 121.223 0.180 0.000 2.280 32 L HA 0.436 4.790 4.340 0.023 0.000 0.287 32 L C 0.278 177.336 176.870 0.313 0.000 1.023 32 L CA -0.378 54.574 54.840 0.186 0.000 0.819 32 L CB 1.455 43.567 42.059 0.088 0.000 1.212 32 L HN 0.739 nan 8.230 nan 0.000 0.420 33 K N 4.834 125.435 120.400 0.335 0.000 2.264 33 K HA 0.261 4.595 4.320 0.023 0.000 0.277 33 K C -0.508 176.211 176.600 0.199 0.000 1.067 33 K CA -0.607 55.850 56.287 0.284 0.000 0.900 33 K CB 0.998 33.732 32.500 0.390 0.000 1.124 33 K HN 0.415 nan 8.250 nan 0.000 0.469 34 K N 5.637 126.116 120.400 0.131 0.000 2.201 34 K HA 0.257 4.591 4.320 0.023 0.000 0.278 34 K C -0.830 175.729 176.600 -0.068 0.000 1.027 34 K CA -0.443 55.774 56.287 -0.117 0.000 0.909 34 K CB 0.662 33.118 32.500 -0.073 0.000 1.062 34 K HN 0.581 nan 8.250 nan 0.000 0.465 35 I N 5.485 125.964 120.570 -0.152 0.000 2.437 35 I HA 0.275 4.459 4.170 0.023 0.000 0.279 35 I C -0.116 175.936 176.117 -0.109 0.000 1.028 35 I CA -0.753 60.505 61.300 -0.068 0.000 1.142 35 I CB 1.467 39.424 38.000 -0.073 0.000 1.266 35 I HN 0.497 nan 8.210 nan 0.000 0.461 36 R N 5.844 126.325 120.500 -0.032 0.000 2.389 36 R HA 0.509 4.863 4.340 0.023 0.000 0.295 36 R C -0.448 175.824 176.300 -0.046 0.000 1.075 36 R CA -0.229 55.853 56.100 -0.030 0.000 1.005 36 R CB 0.911 31.230 30.300 0.032 0.000 0.987 36 R HN 0.518 nan 8.270 nan 0.000 0.452 42 E N 1.511 121.713 120.200 0.003 0.000 2.624 42 E HA 0.493 4.857 4.350 0.023 0.000 0.210 42 E C 1.289 177.880 176.600 -0.016 0.000 0.997 42 E CA 0.577 56.976 56.400 -0.000 0.000 0.999 42 E CB 0.698 30.404 29.700 0.010 0.000 1.040 42 E HN 0.908 nan 8.360 nan 0.000 0.469 43 G N 0.678 109.464 108.800 -0.024 0.000 2.593 43 G HA2 -0.307 3.667 3.960 0.023 0.000 0.237 43 G HA3 -0.307 3.667 3.960 0.023 0.000 0.237 43 G C -0.016 174.845 174.900 -0.066 0.000 1.312 43 G CA -0.322 44.757 45.100 -0.035 0.000 0.896 43 G HN 0.086 nan 8.290 nan 0.000 0.574 44 V N 3.158 123.031 119.914 -0.069 0.000 2.529 44 V HA 0.323 4.457 4.120 0.023 0.000 0.292 44 V C -1.203 174.818 176.094 -0.121 0.000 1.028 44 V CA -0.065 62.174 62.300 -0.102 0.000 1.074 44 V CB 0.775 32.551 31.823 -0.078 0.000 0.958 44 V HN 0.651 nan 8.190 nan 0.000 0.481 45 P HA 0.098 nan 4.420 nan 0.000 0.268 45 P C 0.886 178.128 177.300 -0.096 0.000 1.205 45 P CA -0.015 62.961 63.100 -0.207 0.000 0.771 45 P CB 0.613 32.007 31.700 -0.510 0.000 0.858 46 S N 0.919 116.601 115.700 -0.031 0.000 2.399 46 S HA -0.182 4.302 4.470 0.023 0.000 0.231 46 S C 1.708 176.316 174.600 0.014 0.000 1.022 46 S CA 1.744 59.943 58.200 -0.002 0.000 0.983 46 S CB -1.739 61.473 63.200 0.020 0.000 0.803 46 S HN 0.609 nan 8.310 nan 0.000 0.480 47 T N 0.619 115.194 114.554 0.035 0.000 2.788 47 T HA 0.087 4.451 4.350 0.023 0.000 0.268 47 T C 1.994 176.723 174.700 0.049 0.000 1.044 47 T CA 1.143 63.282 62.100 0.064 0.000 1.139 47 T CB -0.881 68.065 68.868 0.130 0.000 0.867 47 T HN 0.563 nan 8.240 nan 0.000 0.454 48 A N 1.306 124.128 122.820 0.002 0.000 1.897 48 A HA 0.195 4.529 4.320 0.023 0.000 0.215 48 A C 2.394 179.977 177.584 -0.001 0.000 1.181 48 A CA 1.052 53.089 52.037 -0.002 0.000 0.620 48 A CB -0.809 18.151 19.000 -0.067 0.000 0.821 48 A HN 0.549 nan 8.150 nan 0.000 0.443 49 I N -0.737 119.822 120.570 -0.018 0.000 2.163 49 I HA -0.298 3.886 4.170 0.023 0.000 0.243 49 I C 2.826 178.944 176.117 0.002 0.000 1.085 49 I CA 1.484 62.774 61.300 -0.017 0.000 1.347 49 I CB -0.249 37.737 38.000 -0.022 0.000 1.044 49 I HN 0.299 nan 8.210 nan 0.000 0.408 50 R N 0.180 120.691 120.500 0.019 0.000 2.075 50 R HA -0.210 4.144 4.340 0.023 0.000 0.232 50 R C 2.244 178.578 176.300 0.057 0.000 1.126 50 R CA 1.629 57.750 56.100 0.035 0.000 0.963 50 R CB -0.351 29.975 30.300 0.043 0.000 0.858 50 R HN 0.421 nan 8.270 nan 0.000 0.435 51 E N 1.054 121.301 120.200 0.078 0.000 2.058 51 E HA -0.206 4.158 4.350 0.023 0.000 0.194 51 E C 1.892 178.534 176.600 0.069 0.000 0.997 51 E CA 1.342 57.815 56.400 0.121 0.000 0.801 51 E CB -0.037 29.759 29.700 0.161 0.000 0.746 51 E HN 0.270 nan 8.360 nan 0.000 0.450 52 I N 0.348 120.938 120.570 0.033 0.000 2.163 52 I HA -0.233 3.951 4.170 0.023 0.000 0.240 52 I C 2.753 178.852 176.117 -0.031 0.000 1.081 52 I CA 1.129 62.420 61.300 -0.014 0.000 1.353 52 I CB -0.390 37.590 38.000 -0.032 0.000 1.054 52 I HN 0.153 nan 8.210 nan 0.000 0.407 53 S N 0.927 116.615 115.700 -0.021 0.000 2.382 53 S HA -0.113 4.371 4.470 0.023 0.000 0.228 53 S C 2.032 176.616 174.600 -0.026 0.000 1.027 53 S CA 1.317 59.502 58.200 -0.025 0.000 0.991 53 S CB -0.266 62.924 63.200 -0.018 0.000 0.823 53 S HN 0.322 nan 8.310 nan 0.000 0.469 54 L N 0.511 121.724 121.223 -0.017 0.000 2.131 54 L HA 0.093 4.447 4.340 0.023 0.000 0.206 54 L C 2.336 179.142 176.870 -0.108 0.000 1.087 54 L CA 0.721 55.544 54.840 -0.028 0.000 0.767 54 L CB -0.389 41.690 42.059 0.034 0.000 0.917 54 L HN 0.303 nan 8.230 nan 0.000 0.441 55 L N -0.278 120.859 121.223 -0.144 0.000 2.291 55 L HA -0.143 4.211 4.340 0.023 0.000 0.214 55 L C 2.426 179.222 176.870 -0.124 0.000 1.120 55 L CA 0.959 55.673 54.840 -0.210 0.000 0.799 55 L CB -0.279 41.688 42.059 -0.153 0.000 0.925 55 L HN 0.221 nan 8.230 nan 0.000 0.446 56 K N -0.094 120.256 120.400 -0.083 0.000 2.283 56 K HA -0.136 4.198 4.320 0.023 0.000 0.202 56 K C 1.626 178.201 176.600 -0.042 0.000 1.048 56 K CA 0.938 57.189 56.287 -0.060 0.000 0.948 56 K CB 0.116 32.587 32.500 -0.050 0.000 0.742 56 K HN 0.415 nan 8.250 nan 0.000 0.458 57 E N 0.182 120.357 120.200 -0.041 0.000 2.340 57 E HA 0.035 4.399 4.350 0.023 0.000 0.194 57 E C 0.044 176.636 176.600 -0.014 0.000 0.996 57 E CA 0.166 56.556 56.400 -0.016 0.000 0.869 57 E CB 0.355 30.053 29.700 -0.003 0.000 0.835 57 E HN 0.164 nan 8.360 nan 0.000 0.493 58 L N 2.501 123.701 121.223 -0.039 0.000 2.352 58 L HA 0.242 4.596 4.340 0.023 0.000 0.272 58 L C -0.321 176.528 176.870 -0.034 0.000 1.109 58 L CA -0.450 54.402 54.840 0.020 0.000 0.952 58 L CB -0.088 41.922 42.059 -0.081 0.000 1.314 58 L HN -0.077 nan 8.230 nan 0.000 0.427 59 N N 2.286 120.974 118.700 -0.019 0.000 2.485 59 N HA 0.269 5.023 4.740 0.023 0.000 0.243 59 N C -0.994 174.326 175.510 -0.316 0.000 0.987 59 N CA -0.216 52.765 53.050 -0.116 0.000 0.940 59 N CB 0.473 38.926 38.487 -0.057 0.000 1.122 59 N HN 0.390 nan 8.380 nan 0.000 0.509 60 H N 3.077 121.866 119.070 -0.467 0.000 3.085 60 H HA 0.259 4.829 4.556 0.024 0.000 0.356 60 H C -2.325 172.807 175.328 -0.327 0.000 1.178 60 H CA -1.466 54.208 56.048 -0.623 0.000 1.214 60 H CB 2.210 31.295 29.762 -1.129 0.000 1.881 60 H HN 0.340 nan 8.280 nan 0.000 0.538 61 P HA -0.060 nan 4.420 nan 0.000 0.220 61 P C -0.048 177.216 177.300 -0.062 0.000 1.144 61 P CA 1.383 64.318 63.100 -0.275 0.000 0.800 61 P CB 0.246 31.738 31.700 -0.346 0.000 0.772 62 N N -1.386 117.423 118.700 0.182 0.000 2.275 62 N HA 0.238 4.992 4.740 0.023 0.000 0.236 62 N C -0.244 175.310 175.510 0.073 0.000 1.154 62 N CA -0.110 53.013 53.050 0.121 0.000 0.866 62 N CB 0.397 38.954 38.487 0.116 0.000 1.093 62 N HN 0.102 nan 8.380 nan 0.000 0.515 63 I N 0.596 121.209 120.570 0.070 0.000 2.498 63 I HA 0.222 4.406 4.170 0.023 0.000 0.290 63 I C -0.098 176.045 176.117 0.043 0.000 1.032 63 I CA -1.170 60.172 61.300 0.069 0.000 1.073 63 I CB 2.240 40.248 38.000 0.013 0.000 1.251 63 I HN -0.182 nan 8.210 nan 0.000 0.426 64 V N 6.692 126.657 119.914 0.086 0.000 2.720 64 V HA -0.060 4.074 4.120 0.023 0.000 0.307 64 V C 0.414 176.577 176.094 0.115 0.000 1.071 64 V CA 0.474 62.824 62.300 0.083 0.000 1.199 64 V CB 0.783 32.645 31.823 0.065 0.000 0.900 64 V HN 0.719 nan 8.190 nan 0.000 0.494 65 K N 5.747 126.220 120.400 0.122 0.000 2.285 65 K HA 0.351 4.685 4.320 0.023 0.000 0.286 65 K C -0.657 176.023 176.600 0.133 0.000 1.072 65 K CA -0.746 55.592 56.287 0.085 0.000 0.913 65 K CB 0.904 33.427 32.500 0.039 0.000 1.067 65 K HN 0.637 nan 8.250 nan 0.000 0.479 66 L N 6.539 127.775 121.223 0.022 0.000 2.315 66 L HA 0.138 4.492 4.340 0.023 0.000 0.283 66 L C 0.200 176.979 176.870 -0.152 0.000 1.089 66 L CA 0.448 55.162 54.840 -0.211 0.000 0.833 66 L CB 0.498 42.404 42.059 -0.255 0.000 1.170 66 L HN 0.845 nan 8.230 nan 0.000 0.442 67 L N 2.972 124.101 121.223 -0.156 0.000 2.249 67 L HA 0.306 4.660 4.340 0.023 0.000 0.207 67 L C 0.079 176.915 176.870 -0.056 0.000 1.090 67 L CA 0.372 55.175 54.840 -0.062 0.000 0.802 67 L CB 0.001 42.058 42.059 -0.004 0.000 0.947 67 L HN 0.663 nan 8.230 nan 0.000 0.453 68 D N -2.124 118.215 120.400 -0.102 0.000 2.683 68 D HA 0.332 4.986 4.640 0.023 0.000 0.246 68 D C -1.541 174.716 176.300 -0.072 0.000 1.238 68 D CA -0.189 53.784 54.000 -0.044 0.000 0.759 68 D CB 2.484 43.304 40.800 0.034 0.000 1.349 68 D HN -0.355 nan 8.370 nan 0.000 0.426 69 V N 2.602 122.515 119.914 -0.001 0.000 2.483 69 V HA 0.522 4.656 4.120 0.023 0.000 0.297 69 V C -0.094 176.088 176.094 0.147 0.000 1.027 69 V CA -0.584 61.739 62.300 0.039 0.000 0.855 69 V CB 1.546 33.382 31.823 0.021 0.000 0.995 69 V HN 0.437 nan 8.190 nan 0.000 0.424 70 I N 5.787 126.451 120.570 0.155 0.000 2.354 70 I HA 0.398 4.582 4.170 0.023 0.000 0.286 70 I C -0.066 176.156 176.117 0.174 0.000 1.007 70 I CA -0.385 61.003 61.300 0.145 0.000 1.167 70 I CB 0.871 38.951 38.000 0.133 0.000 1.320 70 I HN 0.761 nan 8.210 nan 0.000 0.458 71 H N 3.965 123.076 119.070 0.068 0.000 2.360 71 H HA 0.373 4.944 4.556 0.024 0.000 0.233 71 H C -0.141 175.212 175.328 0.041 0.000 1.473 71 H CA -0.678 55.396 56.048 0.043 0.000 1.352 71 H CB -0.525 29.245 29.762 0.014 0.000 1.493 71 H HN 0.355 nan 8.280 nan 0.000 0.533 72 T N 0.477 115.041 114.554 0.017 0.000 2.589 72 T HA -0.131 4.233 4.350 0.023 0.000 0.342 72 T C 1.413 176.138 174.700 0.042 0.000 1.044 72 T CA 0.056 62.161 62.100 0.010 0.000 1.020 72 T CB 1.339 70.236 68.868 0.047 0.000 1.070 72 T HN 0.677 nan 8.240 nan 0.000 0.524 73 E N -0.042 120.176 120.200 0.030 0.000 2.230 73 E HA -0.087 4.277 4.350 0.023 0.000 0.192 73 E C 1.263 177.876 176.600 0.021 0.000 0.987 73 E CA 0.549 56.968 56.400 0.032 0.000 0.841 73 E CB 0.057 29.770 29.700 0.023 0.000 0.783 73 E HN 0.366 nan 8.360 nan 0.000 0.481 74 N N 0.249 118.961 118.700 0.019 0.000 2.322 74 N HA 0.091 4.845 4.740 0.023 0.000 0.181 74 N C -0.405 175.100 175.510 -0.008 0.000 1.088 74 N CA 0.382 53.437 53.050 0.009 0.000 0.885 74 N CB 0.833 39.329 38.487 0.015 0.000 1.013 74 N HN 0.000 nan 8.380 nan 0.000 0.472 75 K N 0.272 120.670 120.400 -0.004 0.000 2.469 75 K HA 0.420 4.754 4.320 0.023 0.000 0.254 75 K C -1.550 175.020 176.600 -0.051 0.000 0.939 75 K CA -0.728 55.518 56.287 -0.068 0.000 0.812 75 K CB 2.680 35.127 32.500 -0.088 0.000 1.301 75 K HN -0.203 nan 8.250 nan 0.000 0.433 76 L N 2.926 124.064 121.223 -0.141 0.000 2.343 76 L HA 0.426 4.780 4.340 0.023 0.000 0.278 76 L C -1.808 174.961 176.870 -0.167 0.000 0.996 76 L CA -0.381 54.422 54.840 -0.063 0.000 0.831 76 L CB 0.803 42.834 42.059 -0.046 0.000 1.232 76 L HN 0.497 nan 8.230 nan 0.000 0.413 77 Y N 5.197 125.512 120.300 0.025 0.000 2.331 77 Y HA 0.540 5.105 4.550 0.025 0.000 0.338 77 Y C -0.309 175.570 175.900 -0.034 0.000 0.976 77 Y CA -0.551 57.552 58.100 0.004 0.000 1.137 77 Y CB 1.490 39.937 38.460 -0.022 0.000 1.172 77 Y HN 0.351 nan 8.280 nan 0.000 0.478 78 L N 4.928 126.210 121.223 0.098 0.000 2.275 78 L HA 0.487 4.841 4.340 0.023 0.000 0.288 78 L C -0.693 176.075 176.870 -0.170 0.000 1.046 78 L CA -1.051 53.726 54.840 -0.105 0.000 0.805 78 L CB 0.931 42.901 42.059 -0.148 0.000 1.193 78 L HN 0.297 nan 8.230 nan 0.000 0.426 79 V N 4.058 123.797 119.914 -0.293 0.000 2.348 79 V HA 0.351 4.485 4.120 0.023 0.000 0.270 79 V C -0.129 175.778 176.094 -0.312 0.000 1.037 79 V CA -0.204 61.951 62.300 -0.242 0.000 0.872 79 V CB 0.534 32.240 31.823 -0.195 0.000 1.002 79 V HN 0.386 nan 8.190 nan 0.000 0.464 80 F N 2.313 122.263 119.950 0.000 0.000 2.483 80 F HA 0.466 5.006 4.527 0.022 0.000 0.329 80 F C 0.882 176.704 175.800 0.036 0.000 1.064 80 F CA -1.070 56.940 58.000 0.018 0.000 0.986 80 F CB 1.159 40.172 39.000 0.022 0.000 1.218 80 F HN 0.612 nan 8.300 nan 0.000 0.484 81 E N 1.182 121.524 120.200 0.237 0.000 2.413 81 E HA 0.025 4.389 4.350 0.023 0.000 0.263 81 E C -1.055 175.652 176.600 0.179 0.000 1.015 81 E CA -0.356 56.147 56.400 0.171 0.000 0.916 81 E CB 0.568 30.337 29.700 0.113 0.000 0.947 81 E HN 0.481 nan 8.360 nan 0.000 0.440 82 F N 3.743 123.702 119.950 0.016 0.000 2.427 82 F HA 0.351 4.892 4.527 0.023 0.000 0.352 82 F C -1.068 174.665 175.800 -0.111 0.000 1.100 82 F CA -0.469 57.498 58.000 -0.056 0.000 1.191 82 F CB 0.466 39.404 39.000 -0.103 0.000 1.128 82 F HN 0.396 nan 8.300 nan 0.000 0.533 83 L N 6.624 127.263 121.223 -0.974 0.000 2.386 83 L HA 0.309 4.663 4.340 0.023 0.000 0.271 83 L C 0.258 176.473 176.870 -1.092 0.000 0.993 83 L CA -0.746 53.654 54.840 -0.733 0.000 0.819 83 L CB 1.918 43.781 42.059 -0.327 0.000 1.294 83 L HN 0.651 nan 8.230 nan 0.000 0.414 84 H N -0.150 118.544 119.070 -0.627 0.000 2.428 84 H HA 0.078 4.648 4.556 0.024 0.000 0.296 84 H C 0.166 175.373 175.328 -0.201 0.000 1.062 84 H CA 0.643 56.472 56.048 -0.365 0.000 1.350 84 H CB 0.212 29.942 29.762 -0.053 0.000 1.403 84 H HN 0.498 nan 8.280 nan 0.000 0.533 85 Q N 0.423 120.181 119.800 -0.070 0.000 2.482 85 Q HA 0.221 4.575 4.340 0.023 0.000 0.286 85 Q C -1.729 174.224 176.000 -0.078 0.000 1.007 85 Q CA -1.017 54.766 55.803 -0.033 0.000 0.801 85 Q CB 1.935 30.697 28.738 0.039 0.000 1.455 85 Q HN 0.287 nan 8.270 nan 0.000 0.398 86 D N 0.872 121.245 120.400 -0.044 0.000 2.277 86 D HA 0.179 4.833 4.640 0.023 0.000 0.250 86 D C 0.644 176.946 176.300 0.002 0.000 1.032 86 D CA -0.698 53.267 54.000 -0.058 0.000 0.947 86 D CB 0.942 41.707 40.800 -0.059 0.000 1.159 86 D HN 0.479 nan 8.370 nan 0.000 0.460 87 L N 0.665 121.874 121.223 -0.024 0.000 2.131 87 L HA -0.069 4.285 4.340 0.023 0.000 0.210 87 L C 1.941 178.900 176.870 0.149 0.000 1.092 87 L CA 1.790 56.669 54.840 0.065 0.000 0.759 87 L CB -0.808 41.245 42.059 -0.011 0.000 0.903 87 L HN 0.559 nan 8.230 nan 0.000 0.435 88 K N 0.219 120.667 120.400 0.080 0.000 2.026 88 K HA -0.189 4.145 4.320 0.023 0.000 0.208 88 K C 2.054 178.715 176.600 0.102 0.000 1.048 88 K CA 1.839 58.180 56.287 0.090 0.000 0.929 88 K CB -0.181 32.353 32.500 0.057 0.000 0.713 88 K HN 0.326 nan 8.250 nan 0.000 0.439 89 K N -0.838 119.620 120.400 0.097 0.000 2.097 89 K HA -0.131 4.203 4.320 0.023 0.000 0.206 89 K C 2.070 178.759 176.600 0.149 0.000 1.049 89 K CA 1.434 57.781 56.287 0.099 0.000 0.933 89 K CB -0.332 32.219 32.500 0.084 0.000 0.717 89 K HN 0.124 nan 8.250 nan 0.000 0.442 90 F N 1.641 121.615 119.950 0.041 0.000 2.134 90 F HA -0.134 4.407 4.527 0.023 0.000 0.299 90 F C 2.043 177.897 175.800 0.090 0.000 1.097 90 F CA 1.420 59.461 58.000 0.069 0.000 1.264 90 F CB -0.102 38.960 39.000 0.104 0.000 1.001 90 F HN -0.070 nan 8.300 nan 0.000 0.479 91 M N -0.249 119.395 119.600 0.073 0.000 2.132 91 M HA -0.204 4.290 4.480 0.023 0.000 0.263 91 M C 1.762 178.027 176.300 -0.058 0.000 1.065 91 M CA 1.643 56.929 55.300 -0.025 0.000 1.122 91 M CB -0.558 32.091 32.600 0.081 0.000 1.365 91 M HN 0.022 nan 8.290 nan 0.000 0.411 92 D N 0.717 121.111 120.400 -0.010 0.000 2.097 92 D HA -0.109 4.545 4.640 0.023 0.000 0.195 92 D C 1.876 178.147 176.300 -0.048 0.000 0.989 92 D CA 1.666 55.659 54.000 -0.011 0.000 0.827 92 D CB -0.202 40.608 40.800 0.017 0.000 0.966 92 D HN 0.340 nan 8.370 nan 0.000 0.456 93 A N 0.102 122.878 122.820 -0.073 0.000 2.168 93 A HA -0.025 4.309 4.320 0.023 0.000 0.215 93 A C 2.050 179.531 177.584 -0.172 0.000 1.152 93 A CA 0.882 52.860 52.037 -0.100 0.000 0.716 93 A CB -0.015 18.945 19.000 -0.067 0.000 0.794 93 A HN 0.086 nan 8.150 nan 0.000 0.465 94 S N -0.270 115.290 115.700 -0.234 0.000 2.557 94 S HA 0.483 4.967 4.470 0.023 0.000 0.223 94 S C 0.906 175.455 174.600 -0.085 0.000 0.969 94 S CA 0.130 58.220 58.200 -0.184 0.000 0.927 94 S CB -0.128 62.904 63.200 -0.279 0.000 0.806 94 S HN 0.721 nan 8.310 nan 0.000 0.489 95 A N 0.914 123.692 122.820 -0.070 0.000 2.507 95 A HA 0.477 4.811 4.320 0.023 0.000 0.235 95 A C 1.116 178.681 177.584 -0.032 0.000 1.070 95 A CA 0.087 52.098 52.037 -0.043 0.000 0.768 95 A CB -0.309 18.671 19.000 -0.032 0.000 1.011 95 A HN 0.539 nan 8.150 nan 0.000 0.502 96 L N -0.395 120.812 121.223 -0.027 0.000 5.279 96 L HA -0.315 4.039 4.340 0.023 0.000 0.428 96 L C 1.579 178.439 176.870 -0.016 0.000 0.974 96 L CA 1.683 56.510 54.840 -0.021 0.000 1.338 96 L CB -1.971 40.077 42.059 -0.018 0.000 1.740 96 L HN 0.844 nan 8.230 nan 0.000 0.657 97 T N -1.689 112.856 114.554 -0.014 0.000 3.085 97 T HA 0.508 4.872 4.350 0.023 0.000 0.241 97 T C 0.819 175.510 174.700 -0.015 0.000 0.988 97 T CA 0.778 62.877 62.100 -0.001 0.000 1.117 97 T CB 1.001 69.890 68.868 0.034 0.000 0.978 97 T HN 0.885 nan 8.240 nan 0.000 0.454 98 G N 1.416 110.202 108.800 -0.024 0.000 2.699 98 G HA2 -0.100 3.874 3.960 0.023 0.000 0.686 98 G HA3 -0.100 3.874 3.960 0.023 0.000 0.686 98 G C -0.806 174.049 174.900 -0.075 0.000 1.301 98 G CA -0.926 44.149 45.100 -0.042 0.000 0.816 98 G HN 0.454 nan 8.290 nan 0.000 0.595 99 I N 1.951 122.476 120.570 -0.076 0.000 2.342 99 I HA 0.276 4.460 4.170 0.023 0.000 0.291 99 I C -1.710 174.321 176.117 -0.145 0.000 1.010 99 I CA -1.847 59.381 61.300 -0.120 0.000 1.308 99 I CB 1.426 39.458 38.000 0.055 0.000 1.400 99 I HN 0.222 nan 8.210 nan 0.000 0.488 100 P HA -0.060 nan 4.420 nan 0.000 0.265 100 P C 0.602 177.848 177.300 -0.091 0.000 1.187 100 P CA -0.266 62.726 63.100 -0.180 0.000 0.766 100 P CB 0.671 32.230 31.700 -0.235 0.000 0.820 101 L N 6.798 127.994 121.223 -0.045 0.000 2.079 101 L HA -0.089 4.265 4.340 0.023 0.000 0.210 101 L C -0.961 175.888 176.870 -0.035 0.000 1.081 101 L CA 2.391 57.233 54.840 0.004 0.000 0.752 101 L CB -1.919 40.152 42.059 0.020 0.000 0.896 101 L HN 0.391 nan 8.230 nan 0.000 0.433 102 P HA -0.153 nan 4.420 nan 0.000 0.218 102 P C 1.868 179.094 177.300 -0.123 0.000 1.149 102 P CA 1.108 64.147 63.100 -0.103 0.000 0.817 102 P CB 0.011 31.654 31.700 -0.096 0.000 0.785 103 L N -1.120 120.009 121.223 -0.156 0.000 2.095 103 L HA -0.001 4.353 4.340 0.023 0.000 0.204 103 L C 2.170 178.867 176.870 -0.288 0.000 1.080 103 L CA 1.393 56.051 54.840 -0.304 0.000 0.759 103 L CB -0.946 40.930 42.059 -0.306 0.000 0.914 103 L HN -0.151 nan 8.230 nan 0.000 0.439 104 I N -0.504 120.030 120.570 -0.061 0.000 2.208 104 I HA -0.347 3.837 4.170 0.023 0.000 0.245 104 I C 2.520 178.741 176.117 0.173 0.000 1.097 104 I CA 1.499 62.872 61.300 0.121 0.000 1.363 104 I CB -0.367 37.769 38.000 0.226 0.000 1.051 104 I HN 0.289 nan 8.210 nan 0.000 0.413 105 K N 0.319 120.786 120.400 0.112 0.000 2.062 105 K HA -0.177 4.157 4.320 0.023 0.000 0.205 105 K C 2.380 179.098 176.600 0.197 0.000 1.051 105 K CA 1.540 57.908 56.287 0.135 0.000 0.941 105 K CB -0.044 32.346 32.500 -0.183 0.000 0.719 105 K HN 0.138 nan 8.250 nan 0.000 0.440 106 S N -0.293 115.440 115.700 0.056 0.000 2.356 106 S HA -0.157 4.327 4.470 0.023 0.000 0.223 106 S C 1.916 176.656 174.600 0.234 0.000 1.032 106 S CA 1.024 59.272 58.200 0.080 0.000 1.005 106 S CB -0.316 62.861 63.200 -0.037 0.000 0.867 106 S HN 0.349 nan 8.310 nan 0.000 0.449 107 Y N 1.026 121.380 120.300 0.089 0.000 2.200 107 Y HA 0.058 4.622 4.550 0.024 0.000 0.290 107 Y C 2.288 178.224 175.900 0.059 0.000 1.137 107 Y CA 0.450 58.584 58.100 0.058 0.000 1.163 107 Y CB -1.231 37.265 38.460 0.059 0.000 0.988 107 Y HN 0.302 nan 8.280 nan 0.000 0.518 108 L N -0.883 120.505 121.223 0.275 0.000 2.046 108 L HA -0.201 4.153 4.340 0.023 0.000 0.208 108 L C 2.229 179.155 176.870 0.095 0.000 1.077 108 L CA 1.493 56.434 54.840 0.168 0.000 0.747 108 L CB -1.171 40.962 42.059 0.123 0.000 0.896 108 L HN 0.124 nan 8.230 nan 0.000 0.432 109 F N 0.122 119.991 119.950 -0.135 0.000 2.134 109 F HA -0.244 4.298 4.527 0.024 0.000 0.299 109 F C 2.481 178.129 175.800 -0.253 0.000 1.097 109 F CA 1.897 59.569 58.000 -0.546 0.000 1.264 109 F CB -0.256 38.372 39.000 -0.621 0.000 1.001 109 F HN 0.229 nan 8.300 nan 0.000 0.479 110 Q N -0.026 119.754 119.800 -0.034 0.000 2.079 110 Q HA -0.168 4.186 4.340 0.023 0.000 0.200 110 Q C 2.370 178.303 176.000 -0.112 0.000 0.974 110 Q CA 1.744 57.507 55.803 -0.066 0.000 0.840 110 Q CB -0.307 28.461 28.738 0.050 0.000 0.898 110 Q HN 0.455 nan 8.270 nan 0.000 0.430 111 L N 0.332 121.503 121.223 -0.085 0.000 2.046 111 L HA -0.220 4.135 4.340 0.023 0.000 0.208 111 L C 2.284 179.066 176.870 -0.147 0.000 1.077 111 L CA 0.996 55.772 54.840 -0.108 0.000 0.747 111 L CB -0.383 41.630 42.059 -0.076 0.000 0.896 111 L HN 0.260 nan 8.230 nan 0.000 0.432 112 L N -0.883 120.237 121.223 -0.171 0.000 2.083 112 L HA -0.244 4.110 4.340 0.023 0.000 0.209 112 L C 2.681 179.407 176.870 -0.240 0.000 1.083 112 L CA 1.234 55.959 54.840 -0.191 0.000 0.752 112 L CB -0.450 41.485 42.059 -0.208 0.000 0.899 112 L HN 0.349 nan 8.230 nan 0.000 0.433 113 Q N -0.429 119.184 119.800 -0.312 0.000 2.046 113 Q HA -0.138 4.216 4.340 0.023 0.000 0.200 113 Q C 2.352 178.181 176.000 -0.284 0.000 0.975 113 Q CA 1.453 57.109 55.803 -0.245 0.000 0.836 113 Q CB -0.414 28.222 28.738 -0.171 0.000 0.896 113 Q HN 0.600 nan 8.270 nan 0.000 0.428 114 G N 0.996 109.627 108.800 -0.281 0.000 2.418 114 G HA2 -0.256 3.718 3.960 0.023 0.000 0.217 114 G HA3 -0.256 3.718 3.960 0.023 0.000 0.217 114 G C 1.361 176.128 174.900 -0.221 0.000 1.158 114 G CA 0.603 45.485 45.100 -0.363 0.000 0.771 114 G HN 0.207 nan 8.290 nan 0.000 0.545 115 L N 1.350 122.451 121.223 -0.202 0.000 2.027 115 L HA 0.197 4.551 4.340 0.023 0.000 0.206 115 L C 3.120 179.790 176.870 -0.332 0.000 1.074 115 L CA 2.023 56.694 54.840 -0.281 0.000 0.745 115 L CB -0.807 41.085 42.059 -0.278 0.000 0.898 115 L HN 0.243 nan 8.230 nan 0.000 0.433 116 A N -1.129 121.586 122.820 -0.174 0.000 1.940 116 A HA -0.296 4.038 4.320 0.023 0.000 0.219 116 A C 2.303 179.911 177.584 0.040 0.000 1.176 116 A CA 2.003 54.014 52.037 -0.044 0.000 0.631 116 A CB -1.186 17.808 19.000 -0.010 0.000 0.814 116 A HN 0.524 nan 8.150 nan 0.000 0.446 117 F N 0.266 120.128 119.950 -0.148 0.000 2.134 117 F HA -0.227 4.314 4.527 0.023 0.000 0.299 117 F C 2.529 178.386 175.800 0.095 0.000 1.097 117 F CA 1.683 59.652 58.000 -0.052 0.000 1.264 117 F CB -0.473 38.310 39.000 -0.362 0.000 1.001 117 F HN 0.320 nan 8.300 nan 0.000 0.479 118 C N 0.049 119.463 119.300 0.191 0.000 2.413 118 C HA -0.248 4.226 4.460 0.023 0.000 0.277 118 C C 2.650 177.814 174.990 0.290 0.000 1.228 118 C CA 1.741 60.897 59.018 0.231 0.000 1.731 118 C CB -1.798 26.094 27.740 0.253 0.000 2.042 118 C HN 0.545 nan 8.230 nan 0.000 0.468 119 H N -0.208 118.991 119.070 0.215 0.000 2.421 119 H HA -0.116 4.454 4.556 0.023 0.000 0.298 119 H C 2.376 177.790 175.328 0.142 0.000 1.087 119 H CA 1.229 57.438 56.048 0.268 0.000 1.330 119 H CB -0.082 29.813 29.762 0.221 0.000 1.388 119 H HN 0.394 nan 8.280 nan 0.000 0.526 120 S N -0.125 115.654 115.700 0.132 0.000 2.474 120 S HA -0.098 4.387 4.470 0.023 0.000 0.235 120 S C 0.580 174.942 174.600 -0.396 0.000 0.997 120 S CA 0.829 58.958 58.200 -0.118 0.000 0.949 120 S CB -0.048 63.033 63.200 -0.198 0.000 0.766 120 S HN 0.521 nan 8.310 nan 0.000 0.517 121 H N 0.452 119.402 119.070 -0.200 0.000 2.469 121 H HA 0.281 4.851 4.556 0.023 0.000 0.286 121 H C 0.312 175.511 175.328 -0.214 0.000 1.106 121 H CA -0.365 55.546 56.048 -0.227 0.000 1.055 121 H CB 0.068 29.663 29.762 -0.278 0.000 1.618 121 H HN 0.211 nan 8.280 nan 0.000 0.559 122 R N -1.523 118.813 120.500 -0.273 0.000 3.405 122 R HA -0.152 4.202 4.340 0.023 0.000 0.258 122 R C -1.532 174.479 176.300 -0.483 0.000 1.030 122 R CA 0.502 56.077 56.100 -0.876 0.000 0.691 122 R CB -3.276 26.467 30.300 -0.927 0.000 1.093 122 R HN 0.125 nan 8.270 nan 0.000 0.448 123 V N 1.229 121.234 119.914 0.151 0.000 2.448 123 V HA 0.464 4.598 4.120 0.023 0.000 0.295 123 V C 0.611 177.081 176.094 0.626 0.000 1.025 123 V CA -0.868 61.652 62.300 0.367 0.000 0.859 123 V CB 1.785 33.797 31.823 0.315 0.000 0.988 123 V HN 0.314 nan 8.190 nan 0.000 0.431 124 L N 4.190 125.731 121.223 0.531 0.000 2.289 124 L HA 0.452 4.806 4.340 0.023 0.000 0.285 124 L C 1.364 178.403 176.870 0.281 0.000 1.049 124 L CA -0.571 54.505 54.840 0.392 0.000 0.804 124 L CB 1.137 43.341 42.059 0.241 0.000 1.195 124 L HN 0.762 nan 8.230 nan 0.000 0.428 125 H N 4.749 123.911 119.070 0.154 0.000 2.317 125 H HA 0.022 4.594 4.556 0.026 0.000 0.304 125 H C 0.676 175.966 175.328 -0.062 0.000 1.067 125 H CA 1.294 57.301 56.048 -0.067 0.000 1.352 125 H CB 0.555 30.183 29.762 -0.223 0.000 1.398 125 H HN 0.614 nan 8.280 nan 0.000 0.510 126 R N -0.146 120.449 120.500 0.159 0.000 3.989 126 R HA -0.180 4.174 4.340 0.023 0.000 0.377 126 R C -0.627 175.712 176.300 0.066 0.000 1.158 126 R CA 1.055 57.201 56.100 0.076 0.000 1.035 126 R CB -1.689 28.631 30.300 0.033 0.000 1.557 126 R HN 0.330 nan 8.270 nan 0.000 0.551 127 D N 0.157 120.692 120.400 0.225 0.000 3.118 127 D HA 0.210 4.864 4.640 0.023 0.000 0.352 127 D C -0.564 175.814 176.300 0.130 0.000 1.498 127 D CA -0.214 53.863 54.000 0.129 0.000 0.759 127 D CB 0.355 41.159 40.800 0.006 0.000 1.251 127 D HN 0.111 nan 8.370 nan 0.000 0.504 128 L N 1.967 123.202 121.223 0.020 0.000 2.418 128 L HA 0.281 4.635 4.340 0.023 0.000 0.274 128 L C 0.554 177.233 176.870 -0.319 0.000 1.135 128 L CA 0.488 55.185 54.840 -0.239 0.000 0.870 128 L CB 0.229 42.145 42.059 -0.240 0.000 1.154 128 L HN 0.093 nan 8.230 nan 0.000 0.462 129 K N 2.444 122.597 120.400 -0.411 0.000 2.607 129 K HA 0.437 4.771 4.320 0.023 0.000 0.287 129 K C -2.793 173.579 176.600 -0.379 0.000 0.996 129 K CA -1.579 54.284 56.287 -0.707 0.000 0.876 129 K CB 1.404 33.468 32.500 -0.726 0.000 1.496 129 K HN -0.123 nan 8.250 nan 0.000 0.415 130 P HA -0.137 nan 4.420 nan 0.000 0.218 130 P C 0.720 177.961 177.300 -0.099 0.000 1.149 130 P CA 1.205 64.233 63.100 -0.120 0.000 0.817 130 P CB 0.172 31.870 31.700 -0.003 0.000 0.785 131 Q N -0.866 118.875 119.800 -0.099 0.000 2.291 131 Q HA -0.093 4.262 4.340 0.023 0.000 0.206 131 Q C 1.088 177.026 176.000 -0.102 0.000 0.976 131 Q CA 1.117 56.872 55.803 -0.080 0.000 0.875 131 Q CB -0.728 27.967 28.738 -0.072 0.000 0.927 131 Q HN 0.265 nan 8.270 nan 0.000 0.450 132 N N -0.651 117.970 118.700 -0.132 0.000 2.214 132 N HA 0.170 4.924 4.740 0.023 0.000 0.214 132 N C -0.894 174.524 175.510 -0.154 0.000 1.132 132 N CA 0.145 53.120 53.050 -0.125 0.000 0.856 132 N CB 0.716 39.145 38.487 -0.097 0.000 1.020 132 N HN 0.175 nan 8.380 nan 0.000 0.509 133 L N 1.184 122.309 121.223 -0.162 0.000 2.325 133 L HA 0.511 4.865 4.340 0.023 0.000 0.281 133 L C -0.478 176.284 176.870 -0.181 0.000 1.004 133 L CA -0.532 54.199 54.840 -0.182 0.000 0.823 133 L CB 1.821 43.761 42.059 -0.198 0.000 1.236 133 L HN -0.247 nan 8.230 nan 0.000 0.415 134 L N 5.109 126.219 121.223 -0.187 0.000 2.329 134 L HA 0.646 5.000 4.340 0.023 0.000 0.279 134 L C -0.199 176.537 176.870 -0.224 0.000 1.014 134 L CA -0.719 54.007 54.840 -0.190 0.000 0.814 134 L CB 2.059 44.009 42.059 -0.182 0.000 1.257 134 L HN 0.562 nan 8.230 nan 0.000 0.424 135 I N -0.219 120.217 120.570 -0.224 0.000 2.693 135 I HA 0.631 4.815 4.170 0.023 0.000 0.303 135 I C -0.820 175.225 176.117 -0.120 0.000 1.025 135 I CA -0.697 60.459 61.300 -0.240 0.000 1.086 135 I CB 2.045 39.830 38.000 -0.358 0.000 1.268 135 I HN 0.606 nan 8.210 nan 0.000 0.440 136 N N 1.278 119.929 118.700 -0.082 0.000 2.815 136 N HA 0.331 5.086 4.740 0.023 0.000 0.315 136 N C 0.539 175.942 175.510 -0.179 0.000 1.320 136 N CA -0.165 52.869 53.050 -0.027 0.000 0.846 136 N CB 0.642 39.174 38.487 0.074 0.000 1.344 136 N HN 0.738 nan 8.380 nan 0.000 0.593 137 T N -3.817 110.530 114.554 -0.345 0.000 3.118 137 T HA 0.098 4.463 4.350 0.023 0.000 0.260 137 T C 0.478 175.110 174.700 -0.113 0.000 1.139 137 T CA 0.646 62.584 62.100 -0.271 0.000 1.085 137 T CB -0.185 68.474 68.868 -0.348 0.000 0.934 137 T HN 0.460 nan 8.240 nan 0.000 0.518 138 E N 0.768 120.928 120.200 -0.066 0.000 2.474 138 E HA 0.270 4.634 4.350 0.023 0.000 0.195 138 E C 1.571 178.170 176.600 -0.001 0.000 1.039 138 E CA 0.528 56.915 56.400 -0.022 0.000 0.881 138 E CB 0.397 30.095 29.700 -0.004 0.000 0.970 138 E HN 0.709 nan 8.360 nan 0.000 0.486 139 G N 0.923 109.729 108.800 0.011 0.000 2.179 139 G HA2 -0.225 3.749 3.960 0.023 0.000 0.220 139 G HA3 -0.225 3.749 3.960 0.023 0.000 0.220 139 G C 0.488 175.473 174.900 0.142 0.000 0.990 139 G CA 0.035 45.180 45.100 0.074 0.000 0.646 139 G HN 0.457 nan 8.290 nan 0.000 0.517 140 A N -0.135 122.720 122.820 0.058 0.000 2.340 140 A HA 0.805 5.139 4.320 0.023 0.000 0.268 140 A C 0.086 177.634 177.584 -0.059 0.000 1.100 140 A CA 0.277 52.330 52.037 0.026 0.000 0.803 140 A CB 0.811 19.806 19.000 -0.007 0.000 1.043 140 A HN 1.383 nan 8.150 nan 0.000 0.488 141 I N 0.484 120.982 120.570 -0.120 0.000 2.647 141 I HA 0.560 4.744 4.170 0.023 0.000 0.295 141 I C -0.967 175.054 176.117 -0.161 0.000 1.078 141 I CA -0.666 60.463 61.300 -0.285 0.000 1.048 141 I CB 1.822 39.457 38.000 -0.608 0.000 1.239 141 I HN 0.704 nan 8.210 nan 0.000 0.421 142 K N 7.395 127.703 120.400 -0.154 0.000 2.464 142 K HA 0.498 4.832 4.320 0.023 0.000 0.253 142 K C -1.389 175.165 176.600 -0.077 0.000 0.933 142 K CA -0.841 55.398 56.287 -0.080 0.000 0.801 142 K CB 2.504 34.977 32.500 -0.045 0.000 1.271 142 K HN 0.518 nan 8.250 nan 0.000 0.430 143 L N 2.357 123.565 121.223 -0.025 0.000 2.499 143 L HA 0.261 4.615 4.340 0.023 0.000 0.273 143 L C 0.331 177.300 176.870 0.166 0.000 1.195 143 L CA 0.140 54.972 54.840 -0.013 0.000 0.882 143 L CB 0.348 42.429 42.059 0.037 0.000 1.133 143 L HN 0.800 nan 8.230 nan 0.000 0.483 144 A N 2.227 125.091 122.820 0.074 0.000 2.504 144 A HA 0.542 4.876 4.320 0.023 0.000 0.285 144 A C -0.468 177.204 177.584 0.147 0.000 1.261 144 A CA -0.435 51.687 52.037 0.142 0.000 0.741 144 A CB 1.126 20.092 19.000 -0.056 0.000 1.327 144 A HN 0.705 nan 8.150 nan 0.000 0.441 145 D N -1.586 118.869 120.400 0.090 0.000 3.278 145 D HA -0.149 4.505 4.640 0.023 0.000 0.233 145 D C -0.667 175.620 176.300 -0.022 0.000 1.149 145 D CA 0.676 54.698 54.000 0.037 0.000 0.957 145 D CB -1.100 39.683 40.800 -0.029 0.000 0.913 145 D HN 0.425 nan 8.370 nan 0.000 0.409 146 F N -0.092 119.832 119.950 -0.044 0.000 2.645 146 F HA 0.317 4.857 4.527 0.022 0.000 0.300 146 F C 2.302 178.047 175.800 -0.091 0.000 1.115 146 F CA 0.320 58.245 58.000 -0.125 0.000 1.355 146 F CB 0.471 39.468 39.000 -0.005 0.000 1.026 146 F HN 0.349 nan 8.300 nan 0.000 0.536 147 G N -0.024 108.814 108.800 0.064 0.000 2.462 147 G HA2 -0.193 3.781 3.960 0.023 0.000 0.220 147 G HA3 -0.193 3.781 3.960 0.023 0.000 0.220 147 G C 1.468 176.373 174.900 0.009 0.000 1.121 147 G CA 0.634 45.768 45.100 0.057 0.000 0.758 147 G HN 0.403 nan 8.290 nan 0.000 0.559 148 L N 0.399 121.576 121.223 -0.077 0.000 2.640 148 L HA 0.418 4.772 4.340 0.023 0.000 0.230 148 L C 1.651 178.469 176.870 -0.086 0.000 1.123 148 L CA -0.483 54.313 54.840 -0.073 0.000 0.900 148 L CB 0.179 42.182 42.059 -0.093 0.000 1.146 148 L HN 0.215 nan 8.230 nan 0.000 0.484 149 A N 0.652 123.412 122.820 -0.100 0.000 2.327 149 A HA 0.561 4.895 4.320 0.023 0.000 0.255 149 A C 0.146 177.755 177.584 0.041 0.000 1.099 149 A CA -0.035 51.981 52.037 -0.035 0.000 0.801 149 A CB 0.552 19.604 19.000 0.087 0.000 1.062 149 A HN 0.290 nan 8.150 nan 0.000 0.496 150 R N -0.828 119.715 120.500 0.073 0.000 2.566 150 R HA 0.495 4.849 4.340 0.023 0.000 0.271 150 R C -1.077 175.254 176.300 0.051 0.000 1.071 150 R CA -0.365 55.740 56.100 0.008 0.000 0.915 150 R CB 2.012 32.240 30.300 -0.120 0.000 1.228 150 R HN 0.984 nan 8.270 nan 0.000 0.449 151 A N 4.500 127.318 122.820 -0.004 0.000 2.404 151 A HA 0.417 4.751 4.320 0.023 0.000 0.273 151 A C -0.285 177.272 177.584 -0.045 0.000 1.144 151 A CA -0.282 51.741 52.037 -0.024 0.000 0.806 151 A CB -0.247 18.727 19.000 -0.045 0.000 1.080 151 A HN 0.533 nan 8.150 nan 0.000 0.509 152 F N 1.689 121.597 119.950 -0.070 0.000 2.457 152 F HA 0.864 5.403 4.527 0.021 0.000 0.330 152 F C 0.536 176.373 175.800 0.062 0.000 1.069 152 F CA -0.798 57.183 58.000 -0.031 0.000 1.009 152 F CB 0.856 39.881 39.000 0.043 0.000 1.276 152 F HN 0.603 nan 8.300 nan 0.000 0.492 153 G N -0.139 108.890 108.800 0.381 0.000 2.489 153 G HA2 0.584 4.559 3.960 0.023 0.000 0.327 153 G HA3 0.584 4.559 3.960 0.023 0.000 0.327 153 G C -1.930 173.131 174.900 0.268 0.000 1.189 153 G CA -1.044 44.175 45.100 0.198 0.000 0.962 153 G HN 0.669 nan 8.290 nan 0.000 0.486 154 V N 2.775 122.765 119.914 0.126 0.000 2.378 154 V HA 0.398 4.532 4.120 0.023 0.000 0.288 154 V C -1.417 174.696 176.094 0.032 0.000 1.016 154 V CA -1.021 61.344 62.300 0.108 0.000 0.840 154 V CB 1.041 32.912 31.823 0.080 0.000 0.994 154 V HN 0.806 nan 8.190 nan 0.000 0.431 155 P HA 0.418 nan 4.420 nan 0.000 0.276 155 P C -0.252 177.019 177.300 -0.049 0.000 1.252 155 P CA -0.302 62.770 63.100 -0.046 0.000 0.802 155 P CB 1.125 32.739 31.700 -0.143 0.000 1.035 156 V N -0.872 118.989 119.914 -0.087 0.000 2.963 156 V HA 0.252 4.386 4.120 0.023 0.000 0.306 156 V C 0.650 176.559 176.094 -0.308 0.000 1.077 156 V CA -0.415 61.844 62.300 -0.068 0.000 1.124 156 V CB -0.078 31.685 31.823 -0.100 0.000 0.987 156 V HN 0.452 nan 8.190 nan 0.000 0.487 157 R N 1.306 121.581 120.500 -0.375 0.000 2.606 157 R HA 0.454 4.808 4.340 0.023 0.000 0.249 157 R C 0.002 175.902 176.300 -0.668 0.000 1.127 157 R CA -0.669 55.217 56.100 -0.356 0.000 1.133 157 R CB 0.935 31.102 30.300 -0.222 0.000 1.243 157 R HN 0.849 nan 8.270 nan 0.000 0.558 158 T N 2.040 116.422 114.554 -0.286 0.000 2.853 158 T HA 0.157 4.521 4.350 0.023 0.000 0.298 158 T C -0.688 173.751 174.700 -0.435 0.000 0.978 158 T CA 0.578 62.455 62.100 -0.372 0.000 1.152 158 T CB -0.076 68.664 68.868 -0.213 0.000 0.914 158 T HN 0.194 nan 8.240 nan 0.000 0.539 162 E N 2.751 122.882 120.200 -0.115 0.000 1.892 162 E HA 0.440 4.804 4.350 0.023 0.000 0.271 162 E C -0.371 176.157 176.600 -0.119 0.000 1.146 162 E CA -0.095 56.181 56.400 -0.206 0.000 1.096 162 E CB 1.250 30.912 29.700 -0.065 0.000 1.155 162 E HN 0.300 nan 8.360 nan 0.000 0.458 163 V N -1.740 118.075 119.914 -0.165 0.000 2.962 163 V HA 0.682 4.816 4.120 0.023 0.000 0.313 163 V C -0.120 175.905 176.094 -0.115 0.000 1.099 163 V CA -1.256 60.983 62.300 -0.103 0.000 0.971 163 V CB 1.846 33.629 31.823 -0.067 0.000 1.028 163 V HN 0.233 nan 8.190 nan 0.000 0.430 164 V N 0.661 120.543 119.914 -0.054 0.000 3.401 164 V HA -0.153 3.981 4.120 0.023 0.000 0.488 164 V C 0.455 176.566 176.094 0.028 0.000 0.682 164 V CA 0.717 63.020 62.300 0.005 0.000 2.033 164 V CB -1.589 30.244 31.823 0.018 0.000 2.477 164 V HN 1.394 nan 8.190 nan 0.000 0.503 165 T N 6.229 120.827 114.554 0.073 0.000 2.934 165 T HA 0.183 4.547 4.350 0.023 0.000 0.306 165 T C 1.103 175.879 174.700 0.127 0.000 1.042 165 T CA 0.484 62.627 62.100 0.072 0.000 1.145 165 T CB 0.793 69.717 68.868 0.094 0.000 0.982 165 T HN 0.914 nan 8.240 nan 0.000 0.544 166 L N 3.294 124.533 121.223 0.027 0.000 2.043 166 L HA -0.098 4.256 4.340 0.023 0.000 0.212 166 L C 1.823 178.814 176.870 0.202 0.000 1.075 166 L CA 1.930 56.814 54.840 0.072 0.000 0.752 166 L CB -0.670 41.414 42.059 0.042 0.000 0.891 166 L HN 0.742 nan 8.230 nan 0.000 0.432 167 W N -0.991 120.261 121.300 -0.080 0.000 2.392 167 W HA -0.147 4.528 4.660 0.025 0.000 0.279 167 W C 1.819 178.118 176.519 -0.367 0.000 1.225 167 W CA 0.776 57.943 57.345 -0.296 0.000 1.233 167 W CB -1.043 28.069 29.460 -0.580 0.000 1.122 167 W HN 0.294 nan 8.180 nan 0.000 0.561 168 Y N -0.925 119.605 120.300 0.383 0.000 2.555 168 Y HA 0.263 4.826 4.550 0.022 0.000 0.259 168 Y C 1.182 177.303 175.900 0.368 0.000 1.179 168 Y CA -0.624 57.694 58.100 0.363 0.000 1.230 168 Y CB -0.366 38.237 38.460 0.239 0.000 1.146 168 Y HN -0.332 nan 8.280 nan 0.000 0.526 169 R N 1.820 122.508 120.500 0.312 0.000 2.340 169 R HA 0.586 4.940 4.340 0.023 0.000 0.300 169 R C 0.102 176.310 176.300 -0.152 0.000 1.069 169 R CA -0.272 55.886 56.100 0.097 0.000 0.984 169 R CB 0.511 30.816 30.300 0.009 0.000 1.003 169 R HN 0.217 nan 8.270 nan 0.000 0.459 170 A N 6.117 128.717 122.820 -0.365 0.000 2.425 170 A HA 0.233 4.567 4.320 0.023 0.000 0.242 170 A C -1.611 175.581 177.584 -0.652 0.000 1.077 170 A CA -1.318 50.151 52.037 -0.948 0.000 0.781 170 A CB 0.180 18.891 19.000 -0.481 0.000 1.020 170 A HN 0.748 nan 8.150 nan 0.000 0.494 171 P HA -0.180 nan 4.420 nan 0.000 0.220 171 P C 0.989 178.381 177.300 0.154 0.000 1.148 171 P CA 1.443 64.421 63.100 -0.204 0.000 0.803 171 P CB 0.073 31.773 31.700 0.000 0.000 0.782 172 E N 0.511 120.818 120.200 0.178 0.000 2.204 172 E HA -0.109 4.255 4.350 0.023 0.000 0.194 172 E C 2.046 178.774 176.600 0.213 0.000 0.989 172 E CA 0.838 57.454 56.400 0.361 0.000 0.824 172 E CB -1.065 28.869 29.700 0.390 0.000 0.756 172 E HN 0.314 nan 8.360 nan 0.000 0.477 173 I N 0.932 121.550 120.570 0.080 0.000 2.277 173 I HA -0.188 3.996 4.170 0.023 0.000 0.243 173 I C 2.637 178.846 176.117 0.153 0.000 1.094 173 I CA 0.644 61.994 61.300 0.084 0.000 1.393 173 I CB -0.252 37.680 38.000 -0.114 0.000 1.078 173 I HN -0.000 nan 8.210 nan 0.000 0.417 174 L N 0.370 121.630 121.223 0.062 0.000 2.127 174 L HA -0.187 4.167 4.340 0.023 0.000 0.211 174 L C 2.046 178.996 176.870 0.134 0.000 1.089 174 L CA 1.286 56.167 54.840 0.068 0.000 0.757 174 L CB -0.336 41.705 42.059 -0.029 0.000 0.899 174 L HN 0.291 nan 8.230 nan 0.000 0.434 175 L N -0.511 120.814 121.223 0.170 0.000 2.611 175 L HA 0.214 4.568 4.340 0.023 0.000 0.229 175 L C 1.274 178.213 176.870 0.116 0.000 1.137 175 L CA 0.258 55.204 54.840 0.178 0.000 0.901 175 L CB -0.213 41.968 42.059 0.203 0.000 1.098 175 L HN 0.398 nan 8.230 nan 0.000 0.456 176 G N -0.024 108.847 108.800 0.118 0.000 2.176 176 G HA2 -0.333 3.641 3.960 0.023 0.000 0.252 176 G HA3 -0.333 3.641 3.960 0.023 0.000 0.252 176 G C 0.414 175.325 174.900 0.019 0.000 1.024 176 G CA 0.183 45.293 45.100 0.017 0.000 0.755 176 G HN 0.399 nan 8.290 nan 0.000 0.507 177 C N -0.024 119.332 119.300 0.094 0.000 2.597 177 C HA 0.303 4.777 4.460 0.023 0.000 0.412 177 C C 2.404 177.395 174.990 0.002 0.000 1.348 177 C CA 0.975 60.035 59.018 0.070 0.000 1.769 177 C CB 0.411 28.256 27.740 0.175 0.000 2.641 177 C HN 0.678 nan 8.230 nan 0.000 0.612 178 K N 2.418 122.727 120.400 -0.153 0.000 2.097 178 K HA -0.091 4.243 4.320 0.023 0.000 0.206 178 K C -0.401 175.925 176.600 -0.456 0.000 1.049 178 K CA 1.556 57.609 56.287 -0.391 0.000 0.933 178 K CB -0.013 32.088 32.500 -0.666 0.000 0.717 178 K HN 0.772 nan 8.250 nan 0.000 0.442 179 Y N -0.437 119.837 120.300 -0.043 0.000 2.446 179 Y HA 0.309 4.872 4.550 0.023 0.000 0.345 179 Y C -0.488 175.418 175.900 0.009 0.000 0.984 179 Y CA -1.437 56.583 58.100 -0.133 0.000 1.058 179 Y CB 1.433 39.824 38.460 -0.116 0.000 1.220 179 Y HN 0.009 nan 8.280 nan 0.000 0.455 180 Y N -1.275 119.130 120.300 0.175 0.000 2.609 180 Y HA 0.876 5.439 4.550 0.021 0.000 0.342 180 Y C -0.559 175.375 175.900 0.057 0.000 1.058 180 Y CA -1.390 56.783 58.100 0.121 0.000 1.055 180 Y CB 1.692 40.223 38.460 0.119 0.000 1.292 180 Y HN 0.549 nan 8.280 nan 0.000 0.476 181 S N -0.899 114.955 115.700 0.257 0.000 3.144 181 S HA 0.325 4.809 4.470 0.023 0.000 0.325 181 S C 0.901 175.439 174.600 -0.104 0.000 1.161 181 S CA -0.041 58.140 58.200 -0.032 0.000 0.920 181 S CB 0.527 63.660 63.200 -0.112 0.000 1.340 181 S HN 1.092 nan 8.310 nan 0.000 0.681 182 T N 0.723 115.069 114.554 -0.346 0.000 2.803 182 T HA -0.015 4.349 4.350 0.023 0.000 0.269 182 T C 1.832 176.451 174.700 -0.137 0.000 1.052 182 T CA 1.597 63.388 62.100 -0.515 0.000 1.136 182 T CB -1.023 67.388 68.868 -0.763 0.000 0.864 182 T HN 0.784 nan 8.240 nan 0.000 0.467 183 A N 1.806 124.610 122.820 -0.027 0.000 2.084 183 A HA 0.010 4.344 4.320 0.023 0.000 0.221 183 A C 2.687 180.357 177.584 0.143 0.000 1.161 183 A CA 1.810 53.895 52.037 0.080 0.000 0.653 183 A CB -1.158 17.884 19.000 0.069 0.000 0.802 183 A HN 0.879 nan 8.150 nan 0.000 0.457 184 V N -2.389 117.593 119.914 0.113 0.000 2.515 184 V HA -0.158 3.976 4.120 0.023 0.000 0.250 184 V C 1.623 177.833 176.094 0.192 0.000 1.058 184 V CA 2.312 64.681 62.300 0.116 0.000 1.064 184 V CB -0.669 31.138 31.823 -0.027 0.000 0.675 184 V HN 0.389 nan 8.190 nan 0.000 0.461 185 D N 0.549 121.072 120.400 0.205 0.000 2.183 185 D HA -0.004 4.650 4.640 0.023 0.000 0.203 185 D C 2.209 178.639 176.300 0.216 0.000 0.969 185 D CA 1.212 55.348 54.000 0.227 0.000 0.842 185 D CB -0.008 40.986 40.800 0.322 0.000 0.957 185 D HN 0.415 nan 8.370 nan 0.000 0.484 186 I N 0.469 121.184 120.570 0.241 0.000 2.252 186 I HA -0.210 3.974 4.170 0.023 0.000 0.245 186 I C 2.381 178.628 176.117 0.216 0.000 1.102 186 I CA 0.695 62.115 61.300 0.201 0.000 1.385 186 I CB -0.966 37.146 38.000 0.188 0.000 1.064 186 I HN 0.270 nan 8.210 nan 0.000 0.414 187 W N 2.244 123.603 121.300 0.098 0.000 2.335 187 W HA -0.253 4.422 4.660 0.025 0.000 0.311 187 W C 2.557 179.169 176.519 0.155 0.000 1.213 187 W CA 2.020 59.431 57.345 0.109 0.000 1.274 187 W CB -0.321 29.189 29.460 0.084 0.000 1.148 187 W HN 0.114 nan 8.180 nan 0.000 0.498 188 S N 1.385 117.320 115.700 0.391 0.000 2.359 188 S HA -0.219 4.265 4.470 0.023 0.000 0.224 188 S C 1.992 176.693 174.600 0.168 0.000 1.035 188 S CA 1.605 59.995 58.200 0.317 0.000 1.018 188 S CB -0.915 62.430 63.200 0.242 0.000 0.876 188 S HN 0.273 nan 8.310 nan 0.000 0.448 189 L N 0.999 122.285 121.223 0.106 0.000 2.083 189 L HA -0.108 4.246 4.340 0.023 0.000 0.209 189 L C 2.703 179.634 176.870 0.102 0.000 1.083 189 L CA 1.228 56.111 54.840 0.072 0.000 0.752 189 L CB -1.108 40.981 42.059 0.050 0.000 0.899 189 L HN 0.463 nan 8.230 nan 0.000 0.433 190 G N -0.934 107.897 108.800 0.051 0.000 2.418 190 G HA2 -0.255 3.719 3.960 0.023 0.000 0.217 190 G HA3 -0.255 3.719 3.960 0.023 0.000 0.217 190 G C 1.610 176.484 174.900 -0.043 0.000 1.158 190 G CA 0.915 46.022 45.100 0.011 0.000 0.771 190 G HN 0.421 nan 8.290 nan 0.000 0.545 191 C N 0.295 119.549 119.300 -0.076 0.000 2.425 191 C HA 0.055 4.529 4.460 0.023 0.000 0.277 191 C C 2.816 177.875 174.990 0.115 0.000 1.280 191 C CA 0.391 59.397 59.018 -0.021 0.000 1.744 191 C CB -0.957 26.887 27.740 0.175 0.000 1.989 191 C HN 0.468 nan 8.230 nan 0.000 0.491 192 I N -0.078 120.604 120.570 0.186 0.000 2.315 192 I HA -0.160 4.024 4.170 0.023 0.000 0.248 192 I C 2.454 178.697 176.117 0.209 0.000 1.117 192 I CA 1.201 62.608 61.300 0.177 0.000 1.404 192 I CB -0.506 37.545 38.000 0.086 0.000 1.071 192 I HN 0.239 nan 8.210 nan 0.000 0.419 193 F N 2.317 122.274 119.950 0.011 0.000 2.046 193 F HA -0.261 4.280 4.527 0.023 0.000 0.297 193 F C 2.510 178.286 175.800 -0.040 0.000 1.123 193 F CA 1.492 59.492 58.000 0.000 0.000 1.199 193 F CB -1.022 37.953 39.000 -0.042 0.000 0.972 193 F HN 0.049 nan 8.300 nan 0.000 0.474 194 A N -0.023 122.708 122.820 -0.149 0.000 1.892 194 A HA -0.286 4.048 4.320 0.023 0.000 0.218 194 A C 2.283 179.776 177.584 -0.152 0.000 1.188 194 A CA 1.946 53.797 52.037 -0.310 0.000 0.631 194 A CB -1.185 17.583 19.000 -0.386 0.000 0.822 194 A HN 0.584 nan 8.150 nan 0.000 0.447 195 E N -0.826 119.346 120.200 -0.048 0.000 2.110 195 E HA -0.186 4.178 4.350 0.023 0.000 0.193 195 E C 2.043 178.678 176.600 0.059 0.000 0.988 195 E CA 1.297 57.702 56.400 0.009 0.000 0.804 195 E CB -0.191 29.571 29.700 0.103 0.000 0.745 195 E HN 0.668 nan 8.360 nan 0.000 0.458 196 M N -0.171 119.506 119.600 0.129 0.000 2.159 196 M HA -0.154 4.340 4.480 0.023 0.000 0.263 196 M C 2.148 178.517 176.300 0.115 0.000 1.063 196 M CA 0.954 56.357 55.300 0.173 0.000 1.110 196 M CB 0.145 32.912 32.600 0.278 0.000 1.374 196 M HN 0.105 nan 8.290 nan 0.000 0.411 197 V N -0.401 119.552 119.914 0.065 0.000 2.488 197 V HA -0.165 3.970 4.120 0.023 0.000 0.246 197 V C 2.396 178.466 176.094 -0.040 0.000 1.046 197 V CA 2.121 64.424 62.300 0.006 0.000 1.053 197 V CB -0.922 30.854 31.823 -0.077 0.000 0.679 197 V HN 0.622 nan 8.190 nan 0.000 0.458 198 T N -3.775 110.739 114.554 -0.067 0.000 3.015 198 T HA 0.134 4.498 4.350 0.023 0.000 0.250 198 T C 1.191 175.856 174.700 -0.059 0.000 1.057 198 T CA 0.271 62.320 62.100 -0.086 0.000 1.066 198 T CB 0.058 68.844 68.868 -0.137 0.000 0.959 198 T HN 0.315 nan 8.240 nan 0.000 0.488 199 R N 0.729 121.211 120.500 -0.030 0.000 3.936 199 R HA -0.135 4.219 4.340 0.023 0.000 0.366 199 R C -0.224 176.065 176.300 -0.018 0.000 1.158 199 R CA 1.149 57.244 56.100 -0.008 0.000 0.969 199 R CB -1.504 28.786 30.300 -0.016 0.000 1.504 199 R HN 0.821 nan 8.270 nan 0.000 0.538 200 R N -1.056 119.412 120.500 -0.053 0.000 2.725 200 R HA 0.760 5.114 4.340 0.023 0.000 0.277 200 R C -0.684 175.538 176.300 -0.130 0.000 0.987 200 R CA -0.382 55.668 56.100 -0.082 0.000 0.901 200 R CB 1.555 31.781 30.300 -0.122 0.000 1.207 200 R HN 0.048 nan 8.270 nan 0.000 0.463 201 A N 2.509 125.227 122.820 -0.170 0.000 2.540 201 A HA 0.059 4.393 4.320 0.023 0.000 0.239 201 A C 0.905 178.242 177.584 -0.412 0.000 1.061 201 A CA -0.502 51.373 52.037 -0.270 0.000 0.758 201 A CB 0.205 18.901 19.000 -0.507 0.000 0.991 201 A HN 0.788 nan 8.150 nan 0.000 0.502 202 L N 2.200 123.145 121.223 -0.463 0.000 2.017 202 L HA 0.079 4.433 4.340 0.023 0.000 0.208 202 L C 0.160 176.530 176.870 -0.833 0.000 1.073 202 L CA 1.914 56.312 54.840 -0.736 0.000 0.745 202 L CB -0.360 41.101 42.059 -0.997 0.000 0.894 202 L HN 0.606 nan 8.230 nan 0.000 0.432 203 F N 0.962 120.701 119.950 -0.351 0.000 2.550 203 F HA 0.403 4.944 4.527 0.024 0.000 0.348 203 F C -2.156 173.294 175.800 -0.582 0.000 1.219 203 F CA -2.757 55.043 58.000 -0.334 0.000 1.203 203 F CB 0.390 39.303 39.000 -0.145 0.000 1.436 203 F HN 0.010 nan 8.300 nan 0.000 0.541 204 P HA 0.205 nan 4.420 nan 0.000 0.225 204 P C 0.537 177.489 177.300 -0.580 0.000 1.830 204 P CA 0.184 62.435 63.100 -1.414 0.000 1.051 204 P CB 0.638 31.514 31.700 -1.373 0.000 1.929 205 G N 2.069 110.764 108.800 -0.174 0.000 2.572 205 G HA2 0.235 4.209 3.960 0.023 0.000 0.261 205 G HA3 0.235 4.209 3.960 0.023 0.000 0.261 205 G C 0.288 175.316 174.900 0.214 0.000 1.197 205 G CA -0.458 44.662 45.100 0.033 0.000 0.870 205 G HN 0.290 nan 8.290 nan 0.000 0.548 206 D N -2.436 118.030 120.400 0.110 0.000 2.431 206 D HA 0.210 4.864 4.640 0.023 0.000 0.213 206 D C 0.699 177.028 176.300 0.048 0.000 1.130 206 D CA 0.261 54.330 54.000 0.116 0.000 0.834 206 D CB 0.365 41.216 40.800 0.085 0.000 0.985 206 D HN 0.519 nan 8.370 nan 0.000 0.504 207 S N -1.590 114.118 115.700 0.015 0.000 2.615 207 S HA 0.262 4.746 4.470 0.023 0.000 0.268 207 S C 0.270 174.833 174.600 -0.062 0.000 1.146 207 S CA -0.862 57.323 58.200 -0.025 0.000 0.818 207 S CB 1.213 64.386 63.200 -0.044 0.000 1.111 207 S HN -0.145 nan 8.310 nan 0.000 0.465 208 E N -0.167 119.990 120.200 -0.072 0.000 2.110 208 E HA -0.087 4.277 4.350 0.023 0.000 0.193 208 E C 1.577 178.056 176.600 -0.201 0.000 0.988 208 E CA 1.363 57.705 56.400 -0.097 0.000 0.804 208 E CB -0.229 29.440 29.700 -0.052 0.000 0.745 208 E HN 0.538 nan 8.360 nan 0.000 0.458 209 I N 1.542 121.958 120.570 -0.257 0.000 2.286 209 I HA -0.206 3.978 4.170 0.023 0.000 0.245 209 I C 1.879 177.609 176.117 -0.646 0.000 1.104 209 I CA 1.441 62.435 61.300 -0.509 0.000 1.397 209 I CB -0.127 37.584 38.000 -0.482 0.000 1.072 209 I HN -0.039 nan 8.210 nan 0.000 0.417 210 D N -0.404 119.780 120.400 -0.361 0.000 2.123 210 D HA -0.292 4.362 4.640 0.023 0.000 0.196 210 D C 2.158 178.335 176.300 -0.206 0.000 0.992 210 D CA 1.460 55.323 54.000 -0.229 0.000 0.833 210 D CB -0.113 40.626 40.800 -0.101 0.000 0.954 210 D HN 0.368 nan 8.370 nan 0.000 0.455 211 Q N -0.061 119.627 119.800 -0.186 0.000 2.061 211 Q HA -0.081 4.273 4.340 0.023 0.000 0.204 211 Q C 2.270 178.097 176.000 -0.288 0.000 0.984 211 Q CA 1.323 57.031 55.803 -0.158 0.000 0.846 211 Q CB -0.492 28.197 28.738 -0.083 0.000 0.902 211 Q HN 0.423 nan 8.270 nan 0.000 0.421 212 L N -0.712 120.264 121.223 -0.413 0.000 2.012 212 L HA -0.174 4.180 4.340 0.023 0.000 0.210 212 L C 2.100 178.505 176.870 -0.775 0.000 1.073 212 L CA 1.026 55.457 54.840 -0.682 0.000 0.748 212 L CB -0.441 41.128 42.059 -0.816 0.000 0.891 212 L HN 0.293 nan 8.230 nan 0.000 0.431 213 F N 0.135 119.698 119.950 -0.644 0.000 2.234 213 F HA -0.121 4.421 4.527 0.025 0.000 0.299 213 F C 2.684 178.188 175.800 -0.493 0.000 1.087 213 F CA 0.923 58.637 58.000 -0.476 0.000 1.340 213 F CB -0.926 37.962 39.000 -0.186 0.000 1.031 213 F HN 0.032 nan 8.300 nan 0.000 0.500 214 R N 0.189 120.582 120.500 -0.179 0.000 2.073 214 R HA -0.146 4.208 4.340 0.023 0.000 0.234 214 R C 2.277 178.491 176.300 -0.144 0.000 1.134 214 R CA 1.552 57.560 56.100 -0.153 0.000 0.952 214 R CB -0.562 29.700 30.300 -0.064 0.000 0.850 214 R HN 0.253 nan 8.270 nan 0.000 0.433 215 I N 0.110 120.471 120.570 -0.348 0.000 2.179 215 I HA -0.284 3.901 4.170 0.023 0.000 0.242 215 I C 1.921 178.114 176.117 0.126 0.000 1.088 215 I CA 1.169 62.194 61.300 -0.459 0.000 1.357 215 I CB -0.324 37.390 38.000 -0.477 0.000 1.051 215 I HN 0.042 nan 8.210 nan 0.000 0.409 216 F N 1.327 121.295 119.950 0.029 0.000 2.161 216 F HA -0.160 4.381 4.527 0.023 0.000 0.300 216 F C 2.630 178.437 175.800 0.011 0.000 1.089 216 F CA 1.276 59.372 58.000 0.160 0.000 1.282 216 F CB -1.157 38.007 39.000 0.272 0.000 1.010 216 F HN 0.042 nan 8.300 nan 0.000 0.485 217 R N -0.873 119.515 120.500 -0.187 0.000 2.235 217 R HA -0.055 4.299 4.340 0.023 0.000 0.213 217 R C 1.864 178.099 176.300 -0.108 0.000 1.059 217 R CA 1.428 57.264 56.100 -0.440 0.000 0.997 217 R CB -0.463 29.351 30.300 -0.810 0.000 0.884 217 R HN 0.232 nan 8.270 nan 0.000 0.462 218 T N 0.428 115.002 114.554 0.034 0.000 2.983 218 T HA 0.129 4.493 4.350 0.023 0.000 0.250 218 T C 1.541 176.322 174.700 0.135 0.000 1.037 218 T CA 0.612 62.761 62.100 0.082 0.000 1.142 218 T CB 0.262 69.268 68.868 0.231 0.000 0.876 218 T HN 0.098 nan 8.240 nan 0.000 0.455 219 L N 0.367 121.737 121.223 0.246 0.000 2.766 219 L HA 0.446 4.800 4.340 0.023 0.000 0.242 219 L C 0.952 178.052 176.870 0.383 0.000 1.136 219 L CA -0.375 54.647 54.840 0.303 0.000 0.933 219 L CB 0.102 42.311 42.059 0.250 0.000 1.241 219 L HN 0.394 nan 8.230 nan 0.000 0.522 220 G N 0.443 109.448 108.800 0.341 0.000 2.719 220 G HA2 -0.188 3.786 3.960 0.023 0.000 0.686 220 G HA3 -0.188 3.786 3.960 0.023 0.000 0.686 220 G C -0.280 174.746 174.900 0.209 0.000 1.201 220 G CA -0.849 44.420 45.100 0.282 0.000 0.768 220 G HN -0.068 nan 8.290 nan 0.000 0.629 221 T N 4.884 119.467 114.554 0.047 0.000 2.817 221 T HA 0.466 4.830 4.350 0.023 0.000 0.295 221 T C -1.402 173.060 174.700 -0.397 0.000 0.958 221 T CA 0.166 62.008 62.100 -0.431 0.000 1.157 221 T CB 1.072 69.767 68.868 -0.288 0.000 0.898 221 T HN 0.626 nan 8.240 nan 0.000 0.536 222 P HA 0.294 nan 4.420 nan 0.000 0.275 222 P C -0.809 176.370 177.300 -0.200 0.000 1.227 222 P CA -0.428 62.401 63.100 -0.452 0.000 0.781 222 P CB 0.844 32.132 31.700 -0.687 0.000 0.906 223 D N 0.374 120.716 120.400 -0.096 0.000 2.727 223 D HA 0.176 4.830 4.640 0.023 0.000 0.264 223 D C 0.849 177.115 176.300 -0.056 0.000 1.101 223 D CA -0.550 53.401 54.000 -0.083 0.000 1.122 223 D CB 0.218 40.990 40.800 -0.046 0.000 1.390 223 D HN 0.109 nan 8.370 nan 0.000 0.606 224 E N -0.531 119.625 120.200 -0.074 0.000 2.204 224 E HA -0.047 4.317 4.350 0.023 0.000 0.194 224 E C 2.047 178.662 176.600 0.026 0.000 0.989 224 E CA 0.600 56.970 56.400 -0.050 0.000 0.824 224 E CB -0.155 29.502 29.700 -0.072 0.000 0.756 224 E HN 0.356 nan 8.360 nan 0.000 0.477 225 V N 0.757 120.691 119.914 0.033 0.000 2.244 225 V HA -0.206 3.928 4.120 0.023 0.000 0.244 225 V C 2.548 178.708 176.094 0.111 0.000 1.042 225 V CA 1.386 63.722 62.300 0.060 0.000 1.006 225 V CB -0.666 31.184 31.823 0.046 0.000 0.641 225 V HN 0.062 nan 8.190 nan 0.000 0.446 226 V N -2.106 117.882 119.914 0.124 0.000 2.515 226 V HA -0.133 4.001 4.120 0.023 0.000 0.250 226 V C 0.782 177.068 176.094 0.320 0.000 1.058 226 V CA 1.294 63.705 62.300 0.184 0.000 1.064 226 V CB -0.182 31.730 31.823 0.149 0.000 0.675 226 V HN 0.753 nan 8.190 nan 0.000 0.461 227 W N 1.554 122.882 121.300 0.047 0.000 2.409 227 W HA 0.443 5.116 4.660 0.022 0.000 0.285 227 W C -3.234 173.291 176.519 0.010 0.000 1.030 227 W CA -3.447 53.937 57.345 0.065 0.000 1.330 227 W CB 0.678 30.167 29.460 0.048 0.000 1.236 227 W HN 0.055 nan 8.180 nan 0.000 0.341 228 P HA 0.276 nan 4.420 nan 0.000 0.264 228 P C 0.863 178.165 177.300 0.003 0.000 1.193 228 P CA 2.250 65.412 63.100 0.104 0.000 0.763 228 P CB 0.926 32.697 31.700 0.118 0.000 0.810 229 G N 1.719 110.438 108.800 -0.136 0.000 2.213 229 G HA2 -0.307 3.667 3.960 0.023 0.000 0.236 229 G HA3 -0.307 3.667 3.960 0.023 0.000 0.236 229 G C 1.019 175.654 174.900 -0.441 0.000 0.991 229 G CA 0.163 45.132 45.100 -0.219 0.000 0.629 229 G HN 0.500 nan 8.290 nan 0.000 0.517 230 V N 1.967 121.486 119.914 -0.658 0.000 2.407 230 V HA -0.099 4.035 4.120 0.023 0.000 0.248 230 V C 3.002 178.595 176.094 -0.835 0.000 1.055 230 V CA 3.854 65.591 62.300 -0.940 0.000 1.049 230 V CB -0.500 30.745 31.823 -0.963 0.000 0.662 230 V HN 1.119 nan 8.190 nan 0.000 0.455 231 T N -3.614 110.425 114.554 -0.858 0.000 3.163 231 T HA -0.007 4.357 4.350 0.023 0.000 0.260 231 T C 1.555 175.939 174.700 -0.526 0.000 1.156 231 T CA 1.230 62.651 62.100 -1.131 0.000 1.072 231 T CB -0.044 68.372 68.868 -0.753 0.000 0.937 231 T HN 0.430 nan 8.240 nan 0.000 0.528 232 S N 0.468 115.946 115.700 -0.371 0.000 2.524 232 S HA 0.405 4.889 4.470 0.023 0.000 0.215 232 S C 0.693 175.203 174.600 -0.150 0.000 0.986 232 S CA -0.373 57.706 58.200 -0.202 0.000 0.911 232 S CB -0.179 62.922 63.200 -0.165 0.000 0.805 232 S HN 0.521 nan 8.310 nan 0.000 0.501 233 M N 1.976 121.468 119.600 -0.179 0.000 2.248 233 M HA 0.141 4.635 4.480 0.023 0.000 0.337 233 M C -1.667 174.620 176.300 -0.023 0.000 1.121 233 M CA -1.616 53.623 55.300 -0.102 0.000 1.155 233 M CB -0.181 32.338 32.600 -0.135 0.000 1.514 233 M HN -0.148 nan 8.290 nan 0.000 0.452 234 P HA -0.202 nan 4.420 nan 0.000 0.218 234 P C 0.179 177.478 177.300 -0.002 0.000 1.154 234 P CA 1.507 64.589 63.100 -0.029 0.000 0.872 234 P CB 0.152 31.820 31.700 -0.052 0.000 0.790 235 D N -3.657 116.767 120.400 0.041 0.000 2.440 235 D HA 0.051 4.705 4.640 0.023 0.000 0.216 235 D C 0.072 176.452 176.300 0.133 0.000 1.150 235 D CA -0.309 53.733 54.000 0.070 0.000 0.832 235 D CB -0.291 40.561 40.800 0.087 0.000 0.992 235 D HN 0.220 nan 8.370 nan 0.000 0.502 236 Y N 2.222 122.510 120.300 -0.020 0.000 2.359 236 Y HA 0.144 4.707 4.550 0.022 0.000 0.330 236 Y C -0.004 175.631 175.900 -0.442 0.000 1.143 236 Y CA 0.032 58.063 58.100 -0.115 0.000 1.318 236 Y CB 0.538 38.939 38.460 -0.098 0.000 1.234 236 Y HN -0.379 nan 8.280 nan 0.000 0.522 237 K N 7.624 126.948 120.400 -1.792 0.000 2.345 237 K HA 0.267 4.601 4.320 0.023 0.000 0.255 237 K C -2.369 173.425 176.600 -1.345 0.000 0.934 237 K CA -1.938 53.586 56.287 -1.272 0.000 0.801 237 K CB 1.734 33.604 32.500 -1.050 0.000 1.137 237 K HN 0.386 nan 8.250 nan 0.000 0.424 238 P HA -0.121 nan 4.420 nan 0.000 0.226 238 P C 0.995 178.157 177.300 -0.230 0.000 1.153 238 P CA 0.948 63.908 63.100 -0.233 0.000 0.777 238 P CB 0.248 31.915 31.700 -0.056 0.000 0.794 239 S N -2.191 113.351 115.700 -0.263 0.000 2.561 239 S HA -0.010 4.474 4.470 0.023 0.000 0.225 239 S C 0.685 175.270 174.600 -0.025 0.000 0.977 239 S CA -0.252 57.874 58.200 -0.124 0.000 0.926 239 S CB -1.188 61.966 63.200 -0.077 0.000 0.769 239 S HN -0.162 nan 8.310 nan 0.000 0.533 240 F N 3.755 123.617 119.950 -0.147 0.000 2.623 240 F HA 0.263 4.804 4.527 0.022 0.000 0.386 240 F C -1.981 173.653 175.800 -0.276 0.000 1.068 240 F CA -2.442 55.500 58.000 -0.097 0.000 1.265 240 F CB -0.874 38.104 39.000 -0.036 0.000 1.026 240 F HN 0.092 nan 8.300 nan 0.000 0.568 241 P HA 0.033 nan 4.420 nan 0.000 0.267 241 P C -0.723 176.168 177.300 -0.681 0.000 1.200 241 P CA -0.011 62.622 63.100 -0.777 0.000 0.772 241 P CB 0.424 31.137 31.700 -1.645 0.000 0.855 242 K N 2.688 122.764 120.400 -0.540 0.000 2.357 242 K HA 0.198 4.532 4.320 0.023 0.000 0.251 242 K C -0.527 175.930 176.600 -0.238 0.000 1.069 242 K CA -0.290 55.825 56.287 -0.287 0.000 0.994 242 K CB 0.531 32.936 32.500 -0.158 0.000 1.411 242 K HN 0.494 nan 8.250 nan 0.000 0.450 243 W N 1.323 122.597 121.300 -0.045 0.000 2.316 243 W HA 0.297 4.971 4.660 0.022 0.000 0.321 243 W C 0.612 177.134 176.519 0.006 0.000 1.203 243 W CA -0.996 56.343 57.345 -0.010 0.000 1.214 243 W CB 0.899 30.373 29.460 0.022 0.000 1.169 243 W HN 0.451 nan 8.180 nan 0.000 0.561 244 A N 3.557 126.522 122.820 0.242 0.000 2.425 244 A HA 0.243 4.577 4.320 0.023 0.000 0.242 244 A C 0.383 178.069 177.584 0.170 0.000 1.077 244 A CA -0.356 51.774 52.037 0.155 0.000 0.781 244 A CB 0.196 19.264 19.000 0.112 0.000 1.020 244 A HN 0.690 nan 8.150 nan 0.000 0.494 245 R N 1.553 122.139 120.500 0.143 0.000 2.442 245 R HA 0.128 4.482 4.340 0.023 0.000 0.291 245 R C -0.009 176.362 176.300 0.118 0.000 1.069 245 R CA -0.021 56.170 56.100 0.153 0.000 1.022 245 R CB 0.272 30.665 30.300 0.155 0.000 0.976 245 R HN 0.866 nan 8.270 nan 0.000 0.443 246 Q N 2.003 121.864 119.800 0.101 0.000 2.373 246 Q HA -0.047 4.307 4.340 0.023 0.000 0.255 246 Q C -0.651 175.394 176.000 0.075 0.000 0.980 246 Q CA -0.053 55.782 55.803 0.054 0.000 0.882 246 Q CB 0.829 29.560 28.738 -0.011 0.000 1.249 246 Q HN 0.546 nan 8.270 nan 0.000 0.438 247 D N 1.253 121.683 120.400 0.050 0.000 2.472 247 D HA -0.121 4.533 4.640 0.023 0.000 0.248 247 D C 0.165 176.502 176.300 0.063 0.000 1.174 247 D CA 0.461 54.501 54.000 0.066 0.000 0.883 247 D CB 0.316 41.136 40.800 0.033 0.000 1.149 247 D HN 0.432 nan 8.370 nan 0.000 0.488 248 F N 2.500 122.430 119.950 -0.033 0.000 2.250 248 F HA -0.199 4.342 4.527 0.023 0.000 0.301 248 F C 2.558 178.309 175.800 -0.082 0.000 1.077 248 F CA 1.582 59.545 58.000 -0.061 0.000 1.348 248 F CB -0.123 38.837 39.000 -0.066 0.000 1.040 248 F HN 0.501 nan 8.300 nan 0.000 0.509 249 S N -0.963 114.768 115.700 0.052 0.000 2.469 249 S HA -0.143 4.341 4.470 0.023 0.000 0.238 249 S C 1.804 176.348 174.600 -0.094 0.000 0.998 249 S CA 0.709 58.897 58.200 -0.019 0.000 0.957 249 S CB -0.339 62.864 63.200 0.005 0.000 0.764 249 S HN 0.253 nan 8.310 nan 0.000 0.514 250 K N 0.854 121.182 120.400 -0.120 0.000 2.379 250 K HA 0.289 4.623 4.320 0.023 0.000 0.194 250 K C 1.882 178.349 176.600 -0.222 0.000 1.031 250 K CA 0.412 56.615 56.287 -0.139 0.000 1.037 250 K CB -0.296 32.145 32.500 -0.098 0.000 0.824 250 K HN 0.377 nan 8.250 nan 0.000 0.516 251 V N 0.705 120.406 119.914 -0.354 0.000 2.379 251 V HA -0.079 4.055 4.120 0.023 0.000 0.245 251 V C 1.171 177.021 176.094 -0.406 0.000 1.044 251 V CA 1.084 63.101 62.300 -0.472 0.000 1.036 251 V CB 0.071 31.374 31.823 -0.867 0.000 0.664 251 V HN -0.124 nan 8.190 nan 0.000 0.453 252 V N 0.912 120.603 119.914 -0.371 0.000 2.467 252 V HA 0.255 4.389 4.120 0.023 0.000 0.260 252 V C -1.887 174.083 176.094 -0.207 0.000 0.963 252 V CA -0.739 61.382 62.300 -0.297 0.000 0.856 252 V CB 1.170 32.776 31.823 -0.360 0.000 1.087 252 V HN 0.314 nan 8.190 nan 0.000 0.467 253 P HA -0.081 nan 4.420 nan 0.000 0.216 253 P C -1.324 175.925 177.300 -0.084 0.000 1.150 253 P CA 1.447 64.480 63.100 -0.110 0.000 0.843 253 P CB -0.567 31.075 31.700 -0.097 0.000 0.787 254 P HA 0.001 nan 4.420 nan 0.000 0.233 254 P C 0.224 177.498 177.300 -0.042 0.000 1.167 254 P CA 0.366 63.432 63.100 -0.056 0.000 0.770 254 P CB -0.121 31.546 31.700 -0.054 0.000 0.837 255 L N 1.679 122.858 121.223 -0.073 0.000 2.410 255 L HA 0.115 4.469 4.340 0.023 0.000 0.273 255 L C 0.600 177.462 176.870 -0.012 0.000 1.152 255 L CA -0.466 54.339 54.840 -0.058 0.000 0.855 255 L CB -0.219 41.742 42.059 -0.162 0.000 1.129 255 L HN -0.013 nan 8.230 nan 0.000 0.463 256 D N 1.355 121.781 120.400 0.043 0.000 2.393 256 D HA 0.004 4.658 4.640 0.023 0.000 0.246 256 D C 0.872 177.205 176.300 0.055 0.000 1.275 256 D CA -0.135 53.900 54.000 0.059 0.000 0.979 256 D CB 0.383 41.244 40.800 0.102 0.000 1.101 256 D HN 0.656 nan 8.370 nan 0.000 0.505 257 E N -0.770 119.466 120.200 0.061 0.000 2.085 257 E HA -0.261 4.103 4.350 0.023 0.000 0.194 257 E C 1.111 177.762 176.600 0.085 0.000 0.994 257 E CA 1.488 57.924 56.400 0.059 0.000 0.801 257 E CB 0.028 29.760 29.700 0.053 0.000 0.743 257 E HN 0.440 nan 8.360 nan 0.000 0.453 258 D N -0.587 119.900 120.400 0.146 0.000 2.117 258 D HA -0.099 4.555 4.640 0.023 0.000 0.198 258 D C 1.846 178.212 176.300 0.110 0.000 0.982 258 D CA 1.261 55.412 54.000 0.251 0.000 0.828 258 D CB -0.692 40.310 40.800 0.337 0.000 0.967 258 D HN 0.353 nan 8.370 nan 0.000 0.464 259 G N 1.041 109.834 108.800 -0.011 0.000 2.476 259 G HA2 -0.308 3.666 3.960 0.023 0.000 0.218 259 G HA3 -0.308 3.666 3.960 0.023 0.000 0.218 259 G C 1.717 176.444 174.900 -0.288 0.000 1.164 259 G CA 0.650 45.468 45.100 -0.470 0.000 0.768 259 G HN 0.243 nan 8.290 nan 0.000 0.560 260 R N 0.201 120.629 120.500 -0.120 0.000 2.081 260 R HA -0.039 4.315 4.340 0.023 0.000 0.235 260 R C 2.939 179.171 176.300 -0.113 0.000 1.131 260 R CA 1.336 57.414 56.100 -0.036 0.000 0.960 260 R CB -0.580 29.757 30.300 0.062 0.000 0.856 260 R HN 0.422 nan 8.270 nan 0.000 0.436 261 S N 1.120 116.782 115.700 -0.063 0.000 2.359 261 S HA -0.167 4.317 4.470 0.023 0.000 0.223 261 S C 1.923 176.452 174.600 -0.118 0.000 1.039 261 S CA 1.347 59.534 58.200 -0.022 0.000 1.042 261 S CB -0.205 63.113 63.200 0.197 0.000 0.915 261 S HN 0.243 nan 8.310 nan 0.000 0.439 262 L N 1.272 122.284 121.223 -0.352 0.000 2.005 262 L HA 0.098 4.452 4.340 0.023 0.000 0.207 262 L C 2.242 179.010 176.870 -0.169 0.000 1.072 262 L CA 1.853 56.386 54.840 -0.512 0.000 0.744 262 L CB -1.141 40.420 42.059 -0.831 0.000 0.895 262 L HN 0.466 nan 8.230 nan 0.000 0.433 263 L N -0.337 120.830 121.223 -0.093 0.000 2.012 263 L HA -0.219 4.135 4.340 0.023 0.000 0.210 263 L C 2.791 179.593 176.870 -0.114 0.000 1.073 263 L CA 2.311 57.128 54.840 -0.040 0.000 0.748 263 L CB -1.068 40.894 42.059 -0.162 0.000 0.891 263 L HN 0.637 nan 8.230 nan 0.000 0.431 264 S N -1.572 113.906 115.700 -0.370 0.000 2.399 264 S HA -0.245 4.239 4.470 0.023 0.000 0.231 264 S C 1.839 176.278 174.600 -0.269 0.000 1.022 264 S CA 1.261 59.047 58.200 -0.689 0.000 0.983 264 S CB -0.630 61.891 63.200 -1.132 0.000 0.803 264 S HN 0.711 nan 8.310 nan 0.000 0.480 265 Q N 0.165 119.887 119.800 -0.130 0.000 2.311 265 Q HA 0.210 4.564 4.340 0.023 0.000 0.203 265 Q C 2.103 178.127 176.000 0.040 0.000 0.954 265 Q CA 1.073 56.881 55.803 0.008 0.000 0.885 265 Q CB -0.296 28.468 28.738 0.044 0.000 0.963 265 Q HN 0.632 nan 8.270 nan 0.000 0.471 266 M N -0.178 119.423 119.600 0.003 0.000 2.419 266 M HA -0.016 4.478 4.480 0.023 0.000 0.264 266 M C 0.995 177.280 176.300 -0.025 0.000 1.082 266 M CA 0.982 56.296 55.300 0.024 0.000 1.119 266 M CB 0.405 33.023 32.600 0.030 0.000 1.398 266 M HN 0.120 nan 8.290 nan 0.000 0.453 267 L N -0.831 120.331 121.223 -0.102 0.000 2.965 267 L HA 0.189 4.543 4.340 0.023 0.000 0.254 267 L C 0.452 177.312 176.870 -0.016 0.000 1.220 267 L CA -0.440 54.240 54.840 -0.268 0.000 1.023 267 L CB -0.409 41.424 42.059 -0.376 0.000 1.355 267 L HN 0.188 nan 8.230 nan 0.000 0.545 268 H N -0.175 118.889 119.070 -0.010 0.000 2.964 268 H HA -0.059 4.511 4.556 0.023 0.000 0.328 268 H C 0.529 175.856 175.328 -0.001 0.000 1.030 268 H CA 0.686 56.728 56.048 -0.010 0.000 1.445 268 H CB 0.868 30.623 29.762 -0.012 0.000 1.449 268 H HN 0.097 nan 8.280 nan 0.000 0.581 269 Y N 1.881 122.207 120.300 0.044 0.000 2.097 269 Y HA -0.230 4.333 4.550 0.023 0.000 0.282 269 Y C 1.451 176.849 175.900 -0.835 0.000 1.152 269 Y CA 1.893 59.846 58.100 -0.246 0.000 1.136 269 Y CB -0.135 38.237 38.460 -0.145 0.000 0.975 269 Y HN 0.598 nan 8.280 nan 0.000 0.498 270 D N 0.381 120.594 120.400 -0.311 0.000 2.338 270 D HA 0.040 4.694 4.640 0.023 0.000 0.255 270 D C -1.995 174.131 176.300 -0.290 0.000 1.237 270 D CA -2.049 51.569 54.000 -0.637 0.000 0.883 270 D CB 1.201 41.928 40.800 -0.121 0.000 1.087 270 D HN 0.025 nan 8.370 nan 0.000 0.485 271 P HA -0.120 nan 4.420 nan 0.000 0.218 271 P C 0.828 178.108 177.300 -0.033 0.000 1.146 271 P CA 0.804 63.870 63.100 -0.057 0.000 0.813 271 P CB 0.290 32.017 31.700 0.045 0.000 0.778 272 N N -0.815 117.869 118.700 -0.027 0.000 2.396 272 N HA -0.084 4.670 4.740 0.023 0.000 0.180 272 N C 1.311 176.768 175.510 -0.090 0.000 1.028 272 N CA 0.988 54.024 53.050 -0.023 0.000 0.893 272 N CB -0.166 38.332 38.487 0.018 0.000 0.967 272 N HN 0.199 nan 8.380 nan 0.000 0.440 273 K N 0.588 120.862 120.400 -0.210 0.000 2.348 273 K HA 0.096 4.430 4.320 0.023 0.000 0.194 273 K C 0.725 177.120 176.600 -0.341 0.000 1.052 273 K CA -0.181 55.879 56.287 -0.379 0.000 1.004 273 K CB 0.467 32.469 32.500 -0.829 0.000 0.873 273 K HN 0.116 nan 8.250 nan 0.000 0.523 274 R N 1.726 122.105 120.500 -0.201 0.000 2.638 274 R HA 0.040 4.394 4.340 0.023 0.000 0.268 274 R C 0.233 176.537 176.300 0.006 0.000 1.006 274 R CA 0.011 56.096 56.100 -0.025 0.000 1.088 274 R CB 0.131 30.472 30.300 0.069 0.000 0.950 274 R HN 0.065 nan 8.270 nan 0.000 0.419 275 I N 2.920 123.517 120.570 0.046 0.000 2.813 275 I HA -0.071 4.113 4.170 0.023 0.000 0.287 275 I C 0.294 176.462 176.117 0.086 0.000 1.196 275 I CA 0.496 61.836 61.300 0.067 0.000 1.421 275 I CB 0.783 38.838 38.000 0.092 0.000 1.365 275 I HN 0.813 nan 8.210 nan 0.000 0.591 276 S N 5.614 121.368 115.700 0.091 0.000 2.632 276 S HA 0.452 4.937 4.470 0.023 0.000 0.271 276 S C 0.979 175.653 174.600 0.124 0.000 1.260 276 S CA -0.207 58.062 58.200 0.115 0.000 1.010 276 S CB 1.727 64.990 63.200 0.106 0.000 0.965 276 S HN 0.816 nan 8.310 nan 0.000 0.534 277 A N 2.059 124.963 122.820 0.139 0.000 1.892 277 A HA -0.154 4.181 4.320 0.023 0.000 0.218 277 A C 2.158 179.776 177.584 0.057 0.000 1.188 277 A CA 2.020 54.106 52.037 0.081 0.000 0.631 277 A CB -1.068 17.954 19.000 0.036 0.000 0.822 277 A HN 0.977 nan 8.150 nan 0.000 0.447 278 K N -0.458 119.988 120.400 0.076 0.000 2.032 278 K HA -0.139 4.195 4.320 0.023 0.000 0.209 278 K C 2.142 178.790 176.600 0.080 0.000 1.048 278 K CA 1.447 57.772 56.287 0.062 0.000 0.927 278 K CB -0.364 32.181 32.500 0.074 0.000 0.712 278 K HN 0.377 nan 8.250 nan 0.000 0.441 279 A N 0.733 123.613 122.820 0.099 0.000 1.969 279 A HA -0.043 4.291 4.320 0.023 0.000 0.218 279 A C 2.245 179.933 177.584 0.173 0.000 1.169 279 A CA 1.675 53.784 52.037 0.119 0.000 0.635 279 A CB -0.622 18.442 19.000 0.106 0.000 0.810 279 A HN 0.499 nan 8.150 nan 0.000 0.445 280 A N -0.128 122.801 122.820 0.181 0.000 1.969 280 A HA 0.019 4.353 4.320 0.023 0.000 0.218 280 A C 2.031 179.849 177.584 0.390 0.000 1.169 280 A CA 1.217 53.422 52.037 0.279 0.000 0.635 280 A CB -0.581 18.552 19.000 0.221 0.000 0.810 280 A HN 0.477 nan 8.150 nan 0.000 0.445 281 L N -0.976 120.364 121.223 0.196 0.000 2.189 281 L HA -0.237 4.117 4.340 0.023 0.000 0.214 281 L C 2.597 179.710 176.870 0.405 0.000 1.097 281 L CA 1.138 56.068 54.840 0.150 0.000 0.764 281 L CB -0.355 41.671 42.059 -0.055 0.000 0.900 281 L HN 0.446 nan 8.230 nan 0.000 0.436 282 A N -2.513 120.507 122.820 0.332 0.000 2.307 282 A HA -0.009 4.325 4.320 0.023 0.000 0.218 282 A C 0.786 178.557 177.584 0.311 0.000 1.228 282 A CA -0.236 51.973 52.037 0.287 0.000 0.857 282 A CB -0.564 18.541 19.000 0.175 0.000 0.897 282 A HN 0.292 nan 8.150 nan 0.000 0.495 283 H N 0.878 120.161 119.070 0.355 0.000 2.848 283 H HA 0.113 4.683 4.556 0.024 0.000 0.341 283 H C -1.774 173.671 175.328 0.195 0.000 1.060 283 H CA -1.253 54.942 56.048 0.246 0.000 1.444 283 H CB 1.235 31.129 29.762 0.221 0.000 1.446 283 H HN 0.019 nan 8.280 nan 0.000 0.583 284 P HA -0.195 nan 4.420 nan 0.000 0.220 284 P C 1.393 178.787 177.300 0.158 0.000 1.144 284 P CA 0.872 63.983 63.100 0.018 0.000 0.800 284 P CB -0.231 31.407 31.700 -0.102 0.000 0.772 285 F N -0.394 119.671 119.950 0.191 0.000 2.192 285 F HA -0.172 4.369 4.527 0.023 0.000 0.301 285 F C 1.368 176.979 175.800 -0.315 0.000 1.079 285 F CA 1.425 59.331 58.000 -0.158 0.000 1.303 285 F CB -0.634 38.095 39.000 -0.452 0.000 1.024 285 F HN -0.172 nan 8.300 nan 0.000 0.494 286 F N 0.858 120.826 119.950 0.030 0.000 2.732 286 F HA 0.081 4.622 4.527 0.023 0.000 0.303 286 F C 2.237 177.893 175.800 -0.240 0.000 1.110 286 F CA 0.247 58.116 58.000 -0.218 0.000 1.355 286 F CB -1.225 37.690 39.000 -0.142 0.000 1.081 286 F HN 0.152 nan 8.300 nan 0.000 0.565 287 Q N 0.775 120.561 119.800 -0.024 0.000 2.152 287 Q HA -0.240 4.114 4.340 0.023 0.000 0.206 287 Q C 0.315 176.262 176.000 -0.088 0.000 0.985 287 Q CA 2.152 57.932 55.803 -0.038 0.000 0.863 287 Q CB -0.736 27.987 28.738 -0.026 0.000 0.904 287 Q HN 0.424 nan 8.270 nan 0.000 0.422 288 D N 0.408 120.730 120.400 -0.130 0.000 2.463 288 D HA 0.137 4.791 4.640 0.023 0.000 0.224 288 D C 0.032 176.231 176.300 -0.168 0.000 1.174 288 D CA -0.496 53.425 54.000 -0.133 0.000 0.829 288 D CB 0.275 41.004 40.800 -0.118 0.000 0.993 288 D HN 0.115 nan 8.370 nan 0.000 0.497 289 V N 1.367 121.149 119.914 -0.221 0.000 2.655 289 V HA 0.373 4.507 4.120 0.023 0.000 0.300 289 V C 0.459 176.426 176.094 -0.212 0.000 1.044 289 V CA 0.699 62.845 62.300 -0.256 0.000 1.095 289 V CB 0.808 32.367 31.823 -0.441 0.000 0.952 289 V HN 0.591 nan 8.190 nan 0.000 0.485 290 T N 3.187 117.652 114.554 -0.149 0.000 2.724 290 T HA 0.497 4.862 4.350 0.023 0.000 0.274 290 T C -0.388 174.272 174.700 -0.068 0.000 0.984 290 T CA -0.783 61.257 62.100 -0.100 0.000 1.024 290 T CB 1.545 70.367 68.868 -0.077 0.000 1.320 290 T HN 0.625 nan 8.240 nan 0.000 0.555 291 K N 2.068 122.444 120.400 -0.040 0.000 2.842 291 K HA 0.357 4.691 4.320 0.023 0.000 0.176 291 K C -2.524 174.062 176.600 -0.023 0.000 1.080 291 K CA -1.687 54.591 56.287 -0.015 0.000 0.954 291 K CB 0.513 33.023 32.500 0.017 0.000 1.203 291 K HN 0.487 nan 8.250 nan 0.000 0.611 292 P HA 0.036 nan 4.420 nan 0.000 0.274 292 P C 0.279 177.561 177.300 -0.030 0.000 1.237 292 P CA -0.552 62.525 63.100 -0.037 0.000 0.793 292 P CB 0.952 32.623 31.700 -0.048 0.000 0.977 293 V N -1.611 118.297 119.914 -0.010 0.000 3.237 293 V HA 0.285 4.419 4.120 0.023 0.000 0.305 293 V C -2.321 173.783 176.094 0.016 0.000 1.096 293 V CA -1.637 60.662 62.300 -0.002 0.000 1.130 293 V CB -1.245 30.577 31.823 -0.001 0.000 1.048 293 V HN 0.427 nan 8.190 nan 0.000 0.484 294 P HA 0.158 nan 4.420 nan 0.000 0.269 294 P C 0.342 177.769 177.300 0.212 0.000 1.209 294 P CA 0.158 63.322 63.100 0.107 0.000 0.776 294 P CB 0.152 31.824 31.700 -0.046 0.000 0.876 295 H N 2.190 121.360 119.070 0.166 0.000 2.555 295 H HA 0.140 4.710 4.556 0.023 0.000 0.269 295 H C -0.065 175.335 175.328 0.121 0.000 0.988 295 H CA 0.536 56.652 56.048 0.113 0.000 1.178 295 H CB -0.405 29.410 29.762 0.089 0.000 1.373 295 H HN 0.236 nan 8.280 nan 0.000 0.588 296 L N 1.154 122.279 121.223 -0.163 0.000 2.341 296 L HA 0.452 4.806 4.340 0.023 0.000 0.267 296 L C 0.267 177.139 176.870 0.004 0.000 1.009 296 L CA -1.234 53.520 54.840 -0.143 0.000 0.819 296 L CB 2.401 44.326 42.059 -0.223 0.000 1.323 296 L HN -0.091 nan 8.230 nan 0.000 0.425 297 R N 1.645 122.144 120.500 -0.002 0.000 2.537 297 R HA 0.371 4.726 4.340 0.023 0.000 0.280 297 R C -0.601 175.725 176.300 0.043 0.000 1.058 297 R CA -0.124 55.985 56.100 0.015 0.000 1.057 297 R CB 0.322 30.632 30.300 0.015 0.000 0.973 297 R HN 0.408 nan 8.270 nan 0.000 0.438 298 L N 0.000 121.242 121.223 0.032 0.000 2.949 298 L HA 0.000 4.354 4.340 0.023 0.000 0.249 298 L CA 0.000 54.880 54.840 0.067 0.000 0.813 298 L CB 0.000 42.069 42.059 0.017 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502