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 1xx2_1_A DATA FIRST_RESID 2 DATA SEQUENCE PVSEKQLAEV VANTITPLMK AQSVPGMAVA VIYQGKPHYY TFGKADIAAN DATA SEQUENCE KPVTPQTLFE LGSISKTFTG VLGGDAIARG EISLDDAVTR YWPQLTGKQW DATA SEQUENCE QGIRMLDLAT YTAGGLPLQV PDEVTDNASL LRFYQNWQPQ WKPGTTRLYA DATA SEQUENCE NASIGLFGAL AVKPSGMPYE QAMTTRVLKP LKLDHTWINV PKAEEAHYAW DATA SEQUENCE GYRDGKAVRV SPGMLDAQAY GVKTNVQDMA NWVMANMAPE NVADASLKQG DATA SEQUENCE IALAQSRYWR IGSMYQGLGW EMLNWPVEAN TVVEGSDSKV ALAPLPVAEV DATA SEQUENCE NPPAPPVKAS WVHKTGSTGG FGSYVAFIPE KQIGIVMLAN TSYPNPARVE DATA SEQUENCE AAYHILEAL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.389 177.300 0.148 0.000 1.155 2 P CA 0.000 63.172 63.100 0.119 0.000 0.800 2 P CB 0.000 31.748 31.700 0.079 0.000 0.726 3 V N 1.327 121.354 119.914 0.188 0.000 2.814 3 V HA -0.047 4.072 4.120 -0.001 0.000 0.298 3 V C 1.199 177.329 176.094 0.059 0.000 1.195 3 V CA 1.075 63.404 62.300 0.049 0.000 1.323 3 V CB 0.601 32.306 31.823 -0.197 0.000 0.842 3 V HN 0.797 nan 8.190 nan 0.000 0.494 4 S N 3.068 118.780 115.700 0.019 0.000 2.576 4 S HA 0.116 4.585 4.470 -0.001 0.000 0.276 4 S C 1.107 175.719 174.600 0.019 0.000 1.339 4 S CA -0.053 58.168 58.200 0.035 0.000 1.039 4 S CB 1.175 64.390 63.200 0.025 0.000 0.902 4 S HN 0.880 nan 8.310 nan 0.000 0.516 5 E N 2.429 122.667 120.200 0.064 0.000 2.077 5 E HA -0.108 4.241 4.350 -0.001 0.000 0.193 5 E C 1.438 178.082 176.600 0.074 0.000 0.989 5 E CA 1.475 57.930 56.400 0.092 0.000 0.800 5 E CB -0.009 29.773 29.700 0.136 0.000 0.746 5 E HN 0.548 nan 8.360 nan 0.000 0.452 6 K N -0.174 120.258 120.400 0.054 0.000 2.459 6 K HA 0.079 4.398 4.320 -0.001 0.000 0.193 6 K C 1.636 178.240 176.600 0.007 0.000 1.030 6 K CA 0.542 56.853 56.287 0.041 0.000 1.026 6 K CB 0.200 32.723 32.500 0.039 0.000 0.809 6 K HN 0.179 nan 8.250 nan 0.000 0.504 7 Q N -0.893 118.900 119.800 -0.012 0.000 2.250 7 Q HA 0.042 4.381 4.340 -0.001 0.000 0.200 7 Q C 1.566 177.517 176.000 -0.081 0.000 0.941 7 Q CA 0.411 56.191 55.803 -0.040 0.000 0.872 7 Q CB 0.146 28.860 28.738 -0.039 0.000 0.965 7 Q HN 0.166 nan 8.270 nan 0.000 0.480 8 L N 0.324 121.486 121.223 -0.102 0.000 2.072 8 L HA -0.030 4.310 4.340 -0.001 0.000 0.205 8 L C 2.102 178.877 176.870 -0.158 0.000 1.079 8 L CA 1.706 56.451 54.840 -0.159 0.000 0.752 8 L CB -0.422 41.516 42.059 -0.203 0.000 0.906 8 L HN 0.102 nan 8.230 nan 0.000 0.436 9 A N -0.940 121.822 122.820 -0.096 0.000 1.972 9 A HA -0.251 4.068 4.320 -0.001 0.000 0.219 9 A C 2.282 179.758 177.584 -0.181 0.000 1.169 9 A CA 1.770 53.683 52.037 -0.206 0.000 0.635 9 A CB -0.611 18.396 19.000 0.011 0.000 0.810 9 A HN 0.620 nan 8.150 nan 0.000 0.446 10 E N -0.190 119.952 120.200 -0.096 0.000 2.046 10 E HA -0.109 4.240 4.350 -0.001 0.000 0.190 10 E C 1.869 178.425 176.600 -0.074 0.000 0.982 10 E CA 1.325 57.688 56.400 -0.062 0.000 0.800 10 E CB -0.133 29.544 29.700 -0.037 0.000 0.756 10 E HN 0.286 nan 8.360 nan 0.000 0.449 11 V N 0.814 120.675 119.914 -0.089 0.000 2.252 11 V HA -0.291 3.828 4.120 -0.001 0.000 0.249 11 V C 2.483 178.532 176.094 -0.075 0.000 1.056 11 V CA 1.707 63.963 62.300 -0.073 0.000 1.022 11 V CB -0.581 31.194 31.823 -0.081 0.000 0.641 11 V HN 0.224 nan 8.190 nan 0.000 0.445 12 V N 0.328 120.158 119.914 -0.141 0.000 2.287 12 V HA -0.309 3.810 4.120 -0.001 0.000 0.248 12 V C 2.733 178.785 176.094 -0.070 0.000 1.053 12 V CA 2.267 64.488 62.300 -0.131 0.000 1.027 12 V CB -1.282 30.328 31.823 -0.356 0.000 0.646 12 V HN 0.579 nan 8.190 nan 0.000 0.447 13 A N 0.385 123.179 122.820 -0.043 0.000 1.902 13 A HA -0.228 4.091 4.320 -0.001 0.000 0.217 13 A C 1.996 179.562 177.584 -0.030 0.000 1.181 13 A CA 2.039 54.099 52.037 0.039 0.000 0.623 13 A CB -0.699 18.355 19.000 0.090 0.000 0.818 13 A HN 0.600 nan 8.150 nan 0.000 0.443 14 N N -0.529 118.154 118.700 -0.028 0.000 2.453 14 N HA -0.066 4.673 4.740 -0.001 0.000 0.183 14 N C 1.397 176.893 175.510 -0.023 0.000 1.041 14 N CA 1.672 54.708 53.050 -0.023 0.000 0.900 14 N CB -0.356 38.120 38.487 -0.018 0.000 0.961 14 N HN 0.534 nan 8.380 nan 0.000 0.443 15 T N 0.799 115.337 114.554 -0.025 0.000 3.004 15 T HA 0.195 4.544 4.350 -0.001 0.000 0.243 15 T C 1.870 176.538 174.700 -0.053 0.000 1.020 15 T CA -0.043 62.062 62.100 0.007 0.000 1.145 15 T CB 0.397 69.303 68.868 0.062 0.000 0.876 15 T HN 0.004 nan 8.240 nan 0.000 0.449 16 I N 2.715 123.198 120.570 -0.145 0.000 2.252 16 I HA -0.111 4.058 4.170 -0.001 0.000 0.245 16 I C 3.019 178.936 176.117 -0.333 0.000 1.102 16 I CA 1.734 62.855 61.300 -0.298 0.000 1.385 16 I CB -1.747 35.893 38.000 -0.599 0.000 1.064 16 I HN 0.417 nan 8.210 nan 0.000 0.414 17 T N 0.187 114.571 114.554 -0.282 0.000 2.746 17 T HA -0.033 4.316 4.350 -0.001 0.000 0.267 17 T C -0.207 174.423 174.700 -0.116 0.000 1.039 17 T CA 0.978 62.968 62.100 -0.184 0.000 1.142 17 T CB -1.832 66.990 68.868 -0.076 0.000 0.866 17 T HN 0.203 nan 8.240 nan 0.000 0.444 18 P HA 0.069 nan 4.420 nan 0.000 0.225 18 P C 1.854 179.112 177.300 -0.070 0.000 1.156 18 P CA 0.346 63.412 63.100 -0.057 0.000 0.787 18 P CB -0.195 31.487 31.700 -0.029 0.000 0.802 19 L N -0.602 120.562 121.223 -0.100 0.000 2.044 19 L HA -0.013 4.326 4.340 -0.001 0.000 0.205 19 L C 2.323 179.080 176.870 -0.189 0.000 1.075 19 L CA 1.675 56.440 54.840 -0.125 0.000 0.747 19 L CB -0.919 41.063 42.059 -0.127 0.000 0.903 19 L HN -0.040 nan 8.230 nan 0.000 0.435 20 M N -0.340 119.140 119.600 -0.199 0.000 2.279 20 M HA -0.237 4.242 4.480 -0.001 0.000 0.264 20 M C 2.135 178.362 176.300 -0.123 0.000 1.062 20 M CA 1.551 56.739 55.300 -0.187 0.000 1.099 20 M CB -0.177 32.328 32.600 -0.158 0.000 1.394 20 M HN 0.177 nan 8.290 nan 0.000 0.426 21 K N 0.387 120.731 120.400 -0.093 0.000 2.137 21 K HA 0.011 4.330 4.320 -0.001 0.000 0.202 21 K C 1.903 178.471 176.600 -0.055 0.000 1.052 21 K CA 1.058 57.308 56.287 -0.060 0.000 0.961 21 K CB 0.065 32.539 32.500 -0.043 0.000 0.741 21 K HN 0.235 nan 8.250 nan 0.000 0.452 22 A N 0.460 123.245 122.820 -0.060 0.000 1.970 22 A HA -0.049 4.270 4.320 -0.001 0.000 0.216 22 A C 1.626 179.183 177.584 -0.044 0.000 1.170 22 A CA 0.857 52.869 52.037 -0.041 0.000 0.645 22 A CB -0.014 18.968 19.000 -0.029 0.000 0.816 22 A HN 0.281 nan 8.150 nan 0.000 0.447 23 Q N -0.399 119.349 119.800 -0.087 0.000 2.247 23 Q HA 0.174 4.513 4.340 -0.001 0.000 0.204 23 Q C -0.078 175.876 176.000 -0.076 0.000 0.872 23 Q CA 0.455 56.206 55.803 -0.087 0.000 0.951 23 Q CB 0.303 28.920 28.738 -0.203 0.000 1.099 23 Q HN 0.538 nan 8.270 nan 0.000 0.501 24 S N 0.125 115.783 115.700 -0.070 0.000 3.631 24 S HA -0.109 4.360 4.470 -0.001 0.000 0.366 24 S C 0.069 174.638 174.600 -0.053 0.000 0.993 24 S CA 0.268 58.437 58.200 -0.051 0.000 1.167 24 S CB -1.550 61.636 63.200 -0.024 0.000 0.909 24 S HN 0.194 nan 8.310 nan 0.000 0.478 25 V N 1.671 121.530 119.914 -0.091 0.000 2.385 25 V HA 0.160 4.280 4.120 -0.001 0.000 0.269 25 V C -0.800 175.287 176.094 -0.011 0.000 1.043 25 V CA -1.576 60.684 62.300 -0.065 0.000 0.906 25 V CB 1.126 32.845 31.823 -0.174 0.000 0.995 25 V HN 0.193 nan 8.190 nan 0.000 0.467 26 P HA -0.007 nan 4.420 nan 0.000 0.215 26 P C 0.652 178.014 177.300 0.102 0.000 1.157 26 P CA 1.192 64.305 63.100 0.021 0.000 0.868 26 P CB 0.249 31.949 31.700 0.000 0.000 0.788 27 G N -2.033 106.878 108.800 0.185 0.000 2.692 27 G HA2 0.682 4.642 3.960 -0.001 0.000 0.291 27 G HA3 0.682 4.642 3.960 -0.001 0.000 0.291 27 G C -1.974 173.142 174.900 0.360 0.000 1.423 27 G CA -0.392 44.873 45.100 0.275 0.000 0.843 27 G HN 0.053 nan 8.290 nan 0.000 0.486 28 M N 0.691 120.538 119.600 0.411 0.000 2.373 28 M HA 0.634 5.113 4.480 -0.001 0.000 0.290 28 M C -1.501 175.055 176.300 0.426 0.000 1.143 28 M CA -0.613 54.906 55.300 0.364 0.000 0.949 28 M CB 2.006 34.737 32.600 0.220 0.000 1.756 28 M HN 1.015 nan 8.290 nan 0.000 0.494 29 A N 3.894 126.850 122.820 0.227 0.000 2.318 29 A HA 0.854 5.173 4.320 -0.001 0.000 0.324 29 A C -1.426 176.287 177.584 0.216 0.000 1.170 29 A CA -0.563 51.615 52.037 0.235 0.000 0.810 29 A CB 1.332 20.424 19.000 0.154 0.000 1.198 29 A HN 0.613 nan 8.150 nan 0.000 0.484 30 V N 0.969 121.090 119.914 0.345 0.000 2.709 30 V HA 0.802 4.921 4.120 -0.001 0.000 0.308 30 V C 0.042 176.337 176.094 0.335 0.000 1.062 30 V CA -0.244 62.268 62.300 0.353 0.000 0.901 30 V CB 1.809 33.919 31.823 0.477 0.000 1.003 30 V HN 1.368 nan 8.190 nan 0.000 0.425 31 A N 3.770 126.740 122.820 0.251 0.000 2.374 31 A HA 0.883 5.203 4.320 -0.001 0.000 0.305 31 A C -1.243 176.402 177.584 0.101 0.000 1.053 31 A CA -0.538 51.575 52.037 0.126 0.000 0.726 31 A CB 1.847 20.937 19.000 0.151 0.000 1.229 31 A HN 0.681 nan 8.150 nan 0.000 0.431 32 V N 3.481 123.436 119.914 0.068 0.000 2.448 32 V HA 0.395 4.514 4.120 -0.001 0.000 0.295 32 V C -0.667 175.462 176.094 0.060 0.000 1.025 32 V CA -0.269 62.084 62.300 0.088 0.000 0.859 32 V CB 1.384 33.290 31.823 0.139 0.000 0.988 32 V HN 0.747 nan 8.190 nan 0.000 0.431 33 I N 5.514 126.109 120.570 0.042 0.000 2.315 33 I HA 0.414 4.583 4.170 -0.001 0.000 0.291 33 I C -0.716 175.473 176.117 0.121 0.000 1.006 33 I CA -0.065 61.265 61.300 0.051 0.000 1.265 33 I CB 0.797 38.774 38.000 -0.037 0.000 1.387 33 I HN 0.647 nan 8.210 nan 0.000 0.475 34 Y N 5.430 125.724 120.300 -0.010 0.000 2.361 34 Y HA 0.295 4.844 4.550 -0.001 0.000 0.328 34 Y C -0.328 175.572 175.900 0.001 0.000 1.044 34 Y CA -0.752 57.319 58.100 -0.048 0.000 1.085 34 Y CB 1.097 39.468 38.460 -0.148 0.000 1.194 34 Y HN 0.613 nan 8.280 nan 0.000 0.438 35 Q N 4.710 124.256 119.800 -0.422 0.000 2.447 35 Q HA -0.234 4.105 4.340 -0.001 0.000 0.348 35 Q C 0.980 176.881 176.000 -0.166 0.000 1.421 35 Q CA 1.220 56.800 55.803 -0.372 0.000 0.978 35 Q CB -1.378 27.027 28.738 -0.554 0.000 1.191 35 Q HN 1.360 nan 8.270 nan 0.000 0.371 36 G N -0.231 108.497 108.800 -0.119 0.000 2.187 36 G HA2 -0.339 3.620 3.960 -0.001 0.000 0.261 36 G HA3 -0.339 3.620 3.960 -0.001 0.000 0.261 36 G C -0.046 174.821 174.900 -0.056 0.000 1.000 36 G CA 0.821 45.869 45.100 -0.086 0.000 0.718 36 G HN 0.248 nan 8.290 nan 0.000 0.519 37 K N 0.391 120.786 120.400 -0.008 0.000 2.482 37 K HA 0.462 4.781 4.320 -0.001 0.000 0.251 37 K C -2.932 173.677 176.600 0.015 0.000 0.936 37 K CA -2.013 54.268 56.287 -0.011 0.000 0.791 37 K CB 3.213 35.726 32.500 0.020 0.000 1.213 37 K HN 0.023 nan 8.250 nan 0.000 0.428 38 P HA 0.290 nan 4.420 nan 0.000 0.293 38 P C -1.196 175.702 177.300 -0.669 0.000 1.300 38 P CA -0.425 62.470 63.100 -0.342 0.000 0.792 38 P CB 0.656 32.145 31.700 -0.350 0.000 0.925 39 H N 2.166 120.879 119.070 -0.594 0.000 2.539 39 H HA 0.399 4.955 4.556 -0.001 0.000 0.332 39 H C -0.478 174.297 175.328 -0.922 0.000 1.031 39 H CA -0.169 55.501 56.048 -0.630 0.000 1.206 39 H CB 0.545 30.111 29.762 -0.328 0.000 1.446 39 H HN 0.339 nan 8.280 nan 0.000 0.496 40 Y N 2.348 122.364 120.300 -0.473 0.000 2.361 40 Y HA 0.426 4.975 4.550 -0.001 0.000 0.332 40 Y C -0.709 174.794 175.900 -0.662 0.000 1.101 40 Y CA -0.726 57.122 58.100 -0.420 0.000 1.137 40 Y CB 1.044 39.392 38.460 -0.186 0.000 1.207 40 Y HN 0.527 nan 8.280 nan 0.000 0.463 41 Y N 0.405 120.825 120.300 0.199 0.000 2.386 41 Y HA 0.470 5.019 4.550 -0.001 0.000 0.334 41 Y C -0.256 175.603 175.900 -0.068 0.000 1.002 41 Y CA -1.529 56.576 58.100 0.009 0.000 1.068 41 Y CB 2.017 40.537 38.460 0.100 0.000 1.203 41 Y HN 0.569 nan 8.280 nan 0.000 0.443 42 T N 0.050 114.495 114.554 -0.181 0.000 2.863 42 T HA 0.882 5.231 4.350 -0.001 0.000 0.285 42 T C -1.077 173.395 174.700 -0.381 0.000 1.009 42 T CA -0.726 61.321 62.100 -0.088 0.000 0.989 42 T CB 1.218 70.114 68.868 0.046 0.000 1.004 42 T HN 0.242 nan 8.240 nan 0.000 0.455 43 F N 0.380 120.438 119.950 0.180 0.000 2.588 43 F HA 0.760 5.286 4.527 -0.001 0.000 0.310 43 F C 1.105 176.989 175.800 0.140 0.000 1.082 43 F CA -0.033 58.051 58.000 0.140 0.000 0.929 43 F CB 1.783 40.852 39.000 0.114 0.000 1.254 43 F HN 1.210 nan 8.300 nan 0.000 0.455 44 G N 1.968 110.943 108.800 0.293 0.000 2.601 44 G HA2 -0.132 3.828 3.960 -0.001 0.000 0.252 44 G HA3 -0.132 3.828 3.960 -0.001 0.000 0.252 44 G C -1.161 173.836 174.900 0.163 0.000 1.294 44 G CA -0.728 44.490 45.100 0.197 0.000 0.912 44 G HN 0.536 nan 8.290 nan 0.000 0.574 45 K N 0.264 120.746 120.400 0.137 0.000 2.164 45 K HA 0.724 5.043 4.320 -0.001 0.000 0.258 45 K C 1.047 177.746 176.600 0.165 0.000 0.951 45 K CA -0.086 56.275 56.287 0.123 0.000 0.844 45 K CB 1.596 34.136 32.500 0.067 0.000 1.099 45 K HN 0.929 nan 8.250 nan 0.000 0.435 46 A N 1.202 124.118 122.820 0.160 0.000 1.997 46 A HA -0.006 4.313 4.320 -0.001 0.000 0.212 46 A C 0.182 177.912 177.584 0.243 0.000 1.178 46 A CA 0.974 53.102 52.037 0.152 0.000 0.698 46 A CB 0.218 19.272 19.000 0.091 0.000 0.842 46 A HN 0.637 nan 8.150 nan 0.000 0.458 47 D N -0.787 119.756 120.400 0.238 0.000 2.476 47 D HA 0.416 5.055 4.640 -0.001 0.000 0.251 47 D C 0.627 177.031 176.300 0.174 0.000 1.291 47 D CA -0.433 53.750 54.000 0.305 0.000 0.939 47 D CB 0.778 41.749 40.800 0.284 0.000 1.221 47 D HN 0.150 nan 8.370 nan 0.000 0.567 48 I N 2.184 122.839 120.570 0.141 0.000 2.179 48 I HA -0.209 3.961 4.170 -0.001 0.000 0.242 48 I C 2.398 178.504 176.117 -0.018 0.000 1.088 48 I CA 1.179 62.459 61.300 -0.033 0.000 1.357 48 I CB -0.084 37.765 38.000 -0.252 0.000 1.051 48 I HN 0.426 nan 8.210 nan 0.000 0.409 49 A N 0.750 123.564 122.820 -0.011 0.000 1.877 49 A HA -0.086 4.233 4.320 -0.001 0.000 0.216 49 A C 2.393 179.969 177.584 -0.012 0.000 1.186 49 A CA 1.813 53.828 52.037 -0.037 0.000 0.620 49 A CB -0.793 18.157 19.000 -0.083 0.000 0.822 49 A HN 0.428 nan 8.150 nan 0.000 0.443 50 A N -1.384 121.446 122.820 0.018 0.000 2.238 50 A HA 0.138 4.457 4.320 -0.001 0.000 0.208 50 A C 0.944 178.551 177.584 0.038 0.000 1.177 50 A CA 0.700 52.757 52.037 0.033 0.000 0.804 50 A CB -0.816 18.222 19.000 0.063 0.000 0.823 50 A HN 0.719 nan 8.150 nan 0.000 0.482 51 N N -0.341 118.382 118.700 0.038 0.000 2.727 51 N HA -0.137 4.602 4.740 -0.001 0.000 0.249 51 N C -0.999 174.541 175.510 0.051 0.000 1.048 51 N CA 0.447 53.519 53.050 0.036 0.000 0.714 51 N CB -0.563 37.936 38.487 0.020 0.000 0.959 51 N HN 0.478 nan 8.380 nan 0.000 0.544 52 K N 1.192 121.636 120.400 0.074 0.000 2.227 52 K HA 0.346 4.665 4.320 -0.001 0.000 0.280 52 K C -2.275 174.379 176.600 0.091 0.000 1.041 52 K CA -1.260 55.074 56.287 0.078 0.000 0.905 52 K CB 1.647 34.200 32.500 0.088 0.000 1.068 52 K HN 0.196 nan 8.250 nan 0.000 0.470 53 P HA 0.092 nan 4.420 nan 0.000 0.276 53 P C -0.099 177.273 177.300 0.121 0.000 1.244 53 P CA -0.502 62.657 63.100 0.098 0.000 0.801 53 P CB 0.780 32.527 31.700 0.079 0.000 1.006 54 V N 2.011 122.018 119.914 0.155 0.000 2.555 54 V HA 0.298 4.417 4.120 -0.001 0.000 0.286 54 V C 1.131 177.326 176.094 0.168 0.000 1.044 54 V CA 0.541 62.963 62.300 0.203 0.000 1.026 54 V CB 0.538 32.551 31.823 0.318 0.000 0.981 54 V HN 0.865 nan 8.190 nan 0.000 0.480 55 T N 2.502 117.154 114.554 0.164 0.000 2.864 55 T HA 0.490 4.839 4.350 -0.001 0.000 0.289 55 T C -2.412 172.342 174.700 0.090 0.000 1.082 55 T CA -2.055 60.107 62.100 0.104 0.000 1.009 55 T CB 2.135 71.050 68.868 0.079 0.000 1.234 55 T HN 0.300 nan 8.240 nan 0.000 0.526 56 P HA 0.045 nan 4.420 nan 0.000 0.228 56 P C 0.701 177.926 177.300 -0.125 0.000 1.151 56 P CA 0.826 63.861 63.100 -0.110 0.000 0.770 56 P CB 0.023 31.574 31.700 -0.248 0.000 0.786 57 Q N -2.506 117.227 119.800 -0.111 0.000 2.247 57 Q HA 0.117 4.456 4.340 -0.001 0.000 0.211 57 Q C 0.270 176.202 176.000 -0.113 0.000 0.861 57 Q CA 0.254 55.908 55.803 -0.249 0.000 0.949 57 Q CB -0.407 28.021 28.738 -0.516 0.000 1.115 57 Q HN 0.033 nan 8.270 nan 0.000 0.507 58 T N 1.521 116.124 114.554 0.080 0.000 2.902 58 T HA 0.176 4.525 4.350 -0.001 0.000 0.301 58 T C -0.076 174.723 174.700 0.165 0.000 1.012 58 T CA 0.145 62.328 62.100 0.138 0.000 1.151 58 T CB 0.221 69.181 68.868 0.153 0.000 0.946 58 T HN 0.160 nan 8.240 nan 0.000 0.542 59 L N 4.163 125.435 121.223 0.083 0.000 2.292 59 L HA 0.544 4.883 4.340 -0.001 0.000 0.284 59 L C -0.486 176.399 176.870 0.025 0.000 1.065 59 L CA -0.570 54.323 54.840 0.089 0.000 0.806 59 L CB 0.534 42.568 42.059 -0.041 0.000 1.175 59 L HN 0.532 nan 8.230 nan 0.000 0.431 60 F N 0.413 120.414 119.950 0.085 0.000 2.579 60 F HA 0.391 4.917 4.527 -0.001 0.000 0.324 60 F C 0.300 175.933 175.800 -0.278 0.000 1.058 60 F CA -0.857 57.193 58.000 0.085 0.000 0.944 60 F CB 1.581 40.755 39.000 0.290 0.000 1.245 60 F HN 0.382 nan 8.300 nan 0.000 0.477 61 E N 2.317 122.141 120.200 -0.626 0.000 2.229 61 E HA 0.239 4.588 4.350 -0.001 0.000 0.283 61 E C 0.334 176.887 176.600 -0.079 0.000 1.030 61 E CA -0.161 55.956 56.400 -0.472 0.000 0.836 61 E CB 1.244 30.481 29.700 -0.772 0.000 1.068 61 E HN 0.610 nan 8.360 nan 0.000 0.401 62 L N 2.641 123.869 121.223 0.007 0.000 2.418 62 L HA 0.062 4.401 4.340 -0.001 0.000 0.218 62 L C 1.405 178.356 176.870 0.134 0.000 1.125 62 L CA 0.570 55.471 54.840 0.102 0.000 0.835 62 L CB -0.708 41.408 42.059 0.095 0.000 0.953 62 L HN 0.923 nan 8.230 nan 0.000 0.454 63 G N 0.367 109.245 108.800 0.129 0.000 2.596 63 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.295 63 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.295 63 G C 0.853 175.876 174.900 0.206 0.000 1.240 63 G CA 0.377 45.589 45.100 0.186 0.000 0.985 63 G HN 0.202 nan 8.290 nan 0.000 0.555 64 S N 0.347 116.171 115.700 0.208 0.000 2.500 64 S HA 0.011 4.480 4.470 -0.001 0.000 0.239 64 S C 2.290 177.000 174.600 0.184 0.000 0.989 64 S CA 1.385 59.722 58.200 0.229 0.000 0.951 64 S CB -0.249 63.124 63.200 0.288 0.000 0.759 64 S HN 0.468 nan 8.310 nan 0.000 0.523 65 I N 1.212 121.875 120.570 0.154 0.000 2.756 65 I HA -0.108 4.061 4.170 -0.001 0.000 0.262 65 I C 1.993 178.193 176.117 0.139 0.000 1.225 65 I CA 0.445 61.812 61.300 0.112 0.000 1.472 65 I CB -0.342 37.742 38.000 0.141 0.000 1.094 65 I HN 0.186 nan 8.210 nan 0.000 0.454 66 S N 0.864 116.665 115.700 0.167 0.000 2.419 66 S HA -0.179 4.290 4.470 -0.001 0.000 0.235 66 S C 1.880 176.596 174.600 0.193 0.000 1.019 66 S CA 1.203 59.514 58.200 0.185 0.000 0.982 66 S CB -0.164 63.080 63.200 0.073 0.000 0.789 66 S HN 0.457 nan 8.310 nan 0.000 0.490 67 K N 0.808 121.286 120.400 0.130 0.000 2.280 67 K HA -0.091 4.229 4.320 -0.001 0.000 0.202 67 K C 2.384 178.995 176.600 0.019 0.000 1.047 67 K CA 1.563 57.912 56.287 0.103 0.000 0.942 67 K CB -0.413 32.167 32.500 0.133 0.000 0.739 67 K HN 0.600 nan 8.250 nan 0.000 0.457 68 T N -1.375 113.098 114.554 -0.135 0.000 2.904 68 T HA -0.086 4.263 4.350 -0.001 0.000 0.267 68 T C 1.708 176.377 174.700 -0.050 0.000 1.059 68 T CA 0.766 62.610 62.100 -0.426 0.000 1.137 68 T CB -0.301 67.934 68.868 -1.055 0.000 0.879 68 T HN 0.015 nan 8.240 nan 0.000 0.467 69 F N 2.171 122.146 119.950 0.041 0.000 2.163 69 F HA 0.076 4.602 4.527 -0.001 0.000 0.297 69 F C 2.975 178.826 175.800 0.086 0.000 1.094 69 F CA 1.262 59.264 58.000 0.004 0.000 1.290 69 F CB -1.004 37.844 39.000 -0.253 0.000 1.017 69 F HN 0.126 nan 8.300 nan 0.000 0.483 70 T N -0.595 114.132 114.554 0.289 0.000 2.720 70 T HA -0.164 4.185 4.350 -0.001 0.000 0.268 70 T C 2.361 177.231 174.700 0.285 0.000 1.037 70 T CA 1.466 63.738 62.100 0.287 0.000 1.144 70 T CB -1.069 67.950 68.868 0.251 0.000 0.864 70 T HN 0.438 nan 8.240 nan 0.000 0.444 71 G N 0.833 109.770 108.800 0.227 0.000 2.418 71 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.217 71 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.217 71 G C 1.690 176.737 174.900 0.244 0.000 1.158 71 G CA 0.742 45.973 45.100 0.219 0.000 0.771 71 G HN 0.443 nan 8.290 nan 0.000 0.545 72 V N 0.481 120.549 119.914 0.257 0.000 2.453 72 V HA -0.067 4.053 4.120 -0.001 0.000 0.247 72 V C 2.638 178.855 176.094 0.205 0.000 1.048 72 V CA 1.372 63.832 62.300 0.266 0.000 1.049 72 V CB -0.244 31.815 31.823 0.393 0.000 0.672 72 V HN 0.332 nan 8.190 nan 0.000 0.457 73 L N 1.346 122.677 121.223 0.180 0.000 2.046 73 L HA -0.006 4.334 4.340 -0.001 0.000 0.208 73 L C 2.320 179.222 176.870 0.055 0.000 1.077 73 L CA 2.393 57.277 54.840 0.073 0.000 0.747 73 L CB -1.263 40.789 42.059 -0.012 0.000 0.896 73 L HN 0.269 nan 8.230 nan 0.000 0.432 74 G N -1.240 107.639 108.800 0.133 0.000 2.402 74 G HA2 -0.179 3.781 3.960 -0.001 0.000 0.216 74 G HA3 -0.179 3.781 3.960 -0.001 0.000 0.216 74 G C 1.527 176.533 174.900 0.177 0.000 1.162 74 G CA 0.532 45.725 45.100 0.156 0.000 0.777 74 G HN 0.578 nan 8.290 nan 0.000 0.539 75 G N 0.688 109.602 108.800 0.189 0.000 2.418 75 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.217 75 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.217 75 G C 1.445 176.406 174.900 0.102 0.000 1.158 75 G CA 1.389 46.580 45.100 0.151 0.000 0.771 75 G HN 0.510 nan 8.290 nan 0.000 0.545 76 D N 0.475 120.926 120.400 0.084 0.000 2.144 76 D HA 0.040 4.679 4.640 -0.001 0.000 0.199 76 D C 2.648 178.964 176.300 0.026 0.000 0.984 76 D CA 1.422 55.452 54.000 0.050 0.000 0.834 76 D CB -0.252 40.573 40.800 0.042 0.000 0.955 76 D HN 0.248 nan 8.370 nan 0.000 0.465 77 A N 0.046 122.873 122.820 0.011 0.000 1.933 77 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 77 A C 2.328 179.917 177.584 0.009 0.000 1.175 77 A CA 1.047 53.073 52.037 -0.018 0.000 0.628 77 A CB -0.726 18.228 19.000 -0.076 0.000 0.814 77 A HN 0.386 nan 8.150 nan 0.000 0.444 78 I N -0.226 120.368 120.570 0.041 0.000 2.202 78 I HA -0.259 3.910 4.170 -0.001 0.000 0.242 78 I C 2.924 179.072 176.117 0.051 0.000 1.091 78 I CA 1.054 62.390 61.300 0.059 0.000 1.368 78 I CB -0.349 37.705 38.000 0.090 0.000 1.058 78 I HN 0.337 nan 8.210 nan 0.000 0.410 79 A N 0.706 123.555 122.820 0.049 0.000 2.024 79 A HA -0.189 4.130 4.320 -0.001 0.000 0.220 79 A C 2.292 179.893 177.584 0.028 0.000 1.164 79 A CA 1.477 53.538 52.037 0.039 0.000 0.643 79 A CB -0.563 18.460 19.000 0.038 0.000 0.806 79 A HN 0.377 nan 8.150 nan 0.000 0.451 80 R N -1.983 118.530 120.500 0.023 0.000 2.276 80 R HA 0.207 4.546 4.340 -0.001 0.000 0.196 80 R C 1.467 177.779 176.300 0.021 0.000 0.961 80 R CA 0.600 56.710 56.100 0.015 0.000 1.024 80 R CB -0.006 30.297 30.300 0.005 0.000 0.940 80 R HN 0.672 nan 8.270 nan 0.000 0.480 81 G N 0.862 109.680 108.800 0.030 0.000 2.195 81 G HA2 -0.316 3.643 3.960 -0.001 0.000 0.246 81 G HA3 -0.316 3.643 3.960 -0.001 0.000 0.246 81 G C 0.683 175.612 174.900 0.048 0.000 0.984 81 G CA 0.370 45.493 45.100 0.039 0.000 0.633 81 G HN 0.415 nan 8.290 nan 0.000 0.525 82 E N -0.740 119.481 120.200 0.035 0.000 2.153 82 E HA 0.140 4.489 4.350 -0.001 0.000 0.194 82 E C 0.700 177.341 176.600 0.069 0.000 0.988 82 E CA 0.937 57.361 56.400 0.040 0.000 0.811 82 E CB 0.216 29.915 29.700 -0.001 0.000 0.746 82 E HN 0.543 nan 8.360 nan 0.000 0.466 83 I N -1.195 119.404 120.570 0.047 0.000 2.969 83 I HA 0.181 4.351 4.170 -0.001 0.000 0.307 83 I C -1.027 175.153 176.117 0.105 0.000 1.149 83 I CA -0.647 60.688 61.300 0.059 0.000 1.008 83 I CB 2.544 40.482 38.000 -0.104 0.000 1.232 83 I HN -0.285 nan 8.210 nan 0.000 0.435 84 S N 3.784 119.579 115.700 0.158 0.000 2.571 84 S HA 0.429 4.898 4.470 -0.001 0.000 0.284 84 S C 0.465 175.154 174.600 0.148 0.000 1.128 84 S CA -0.495 57.787 58.200 0.137 0.000 0.970 84 S CB 0.835 64.114 63.200 0.131 0.000 1.039 84 S HN 0.484 nan 8.310 nan 0.000 0.485 85 L N 3.259 124.549 121.223 0.111 0.000 2.127 85 L HA 0.007 4.346 4.340 -0.001 0.000 0.211 85 L C 1.725 178.654 176.870 0.099 0.000 1.089 85 L CA 1.821 56.711 54.840 0.083 0.000 0.757 85 L CB -0.775 41.288 42.059 0.007 0.000 0.899 85 L HN 0.746 nan 8.230 nan 0.000 0.434 86 D N -0.861 119.601 120.400 0.103 0.000 2.349 86 D HA -0.043 4.596 4.640 -0.001 0.000 0.224 86 D C 0.156 176.532 176.300 0.127 0.000 1.029 86 D CA 0.089 54.151 54.000 0.103 0.000 0.879 86 D CB 0.251 41.100 40.800 0.081 0.000 0.906 86 D HN 0.320 nan 8.370 nan 0.000 0.528 87 D N 1.077 121.576 120.400 0.166 0.000 2.423 87 D HA 0.213 4.853 4.640 -0.001 0.000 0.238 87 D C 0.274 176.696 176.300 0.202 0.000 1.142 87 D CA 0.084 54.199 54.000 0.192 0.000 0.884 87 D CB 0.946 41.947 40.800 0.334 0.000 1.199 87 D HN -0.010 nan 8.370 nan 0.000 0.438 88 A N 1.732 124.640 122.820 0.147 0.000 2.371 88 A HA 0.200 4.520 4.320 -0.001 0.000 0.257 88 A C 1.477 179.185 177.584 0.207 0.000 1.089 88 A CA -0.609 51.524 52.037 0.160 0.000 0.794 88 A CB 0.548 19.612 19.000 0.108 0.000 1.029 88 A HN 0.434 nan 8.150 nan 0.000 0.488 89 V N 2.056 122.122 119.914 0.254 0.000 2.392 89 V HA -0.234 3.886 4.120 -0.001 0.000 0.249 89 V C 2.728 178.937 176.094 0.191 0.000 1.059 89 V CA 2.659 65.121 62.300 0.269 0.000 1.051 89 V CB -1.352 30.638 31.823 0.278 0.000 0.658 89 V HN 1.098 nan 8.190 nan 0.000 0.455 90 T N -1.223 113.405 114.554 0.124 0.000 3.051 90 T HA -0.225 4.124 4.350 -0.001 0.000 0.269 90 T C 1.825 176.519 174.700 -0.010 0.000 1.127 90 T CA 1.312 63.441 62.100 0.048 0.000 1.107 90 T CB -0.415 68.476 68.868 0.037 0.000 0.898 90 T HN 0.493 nan 8.240 nan 0.000 0.517 91 R N -0.238 120.207 120.500 -0.091 0.000 2.115 91 R HA -0.027 4.313 4.340 -0.001 0.000 0.230 91 R C 1.359 177.387 176.300 -0.453 0.000 1.111 91 R CA 1.204 57.102 56.100 -0.336 0.000 0.976 91 R CB -0.229 29.730 30.300 -0.569 0.000 0.870 91 R HN 0.539 nan 8.270 nan 0.000 0.445 92 Y N -2.971 117.366 120.300 0.063 0.000 2.497 92 Y HA 0.136 4.685 4.550 -0.001 0.000 0.265 92 Y C 0.128 176.101 175.900 0.122 0.000 1.111 92 Y CA -0.260 57.869 58.100 0.048 0.000 1.288 92 Y CB 0.495 38.953 38.460 -0.005 0.000 1.082 92 Y HN 0.095 nan 8.280 nan 0.000 0.536 93 W N 3.740 125.041 121.300 0.001 0.000 2.237 93 W HA 0.401 5.060 4.660 -0.001 0.000 0.289 93 W C -2.269 174.193 176.519 -0.095 0.000 0.988 93 W CA -3.581 53.724 57.345 -0.067 0.000 1.671 93 W CB 0.858 30.234 29.460 -0.140 0.000 1.746 93 W HN -0.177 nan 8.180 nan 0.000 0.380 94 P HA -0.222 nan 4.420 nan 0.000 0.221 94 P C 0.788 177.995 177.300 -0.155 0.000 1.145 94 P CA 1.676 64.749 63.100 -0.045 0.000 0.795 94 P CB 0.478 32.172 31.700 -0.010 0.000 0.775 95 Q N -0.806 118.826 119.800 -0.281 0.000 2.436 95 Q HA 0.003 4.342 4.340 -0.001 0.000 0.209 95 Q C 0.869 176.573 176.000 -0.494 0.000 0.965 95 Q CA 0.367 55.951 55.803 -0.367 0.000 0.910 95 Q CB -0.588 27.910 28.738 -0.400 0.000 0.980 95 Q HN 0.145 nan 8.270 nan 0.000 0.491 96 L N 1.985 122.831 121.223 -0.629 0.000 2.382 96 L HA 0.044 4.383 4.340 -0.001 0.000 0.259 96 L C 0.862 177.564 176.870 -0.280 0.000 1.291 96 L CA 0.554 55.021 54.840 -0.622 0.000 1.176 96 L CB -0.207 41.354 42.059 -0.831 0.000 1.373 96 L HN 0.211 nan 8.230 nan 0.000 0.426 97 T N -1.450 113.003 114.554 -0.168 0.000 3.081 97 T HA 0.146 4.495 4.350 -0.001 0.000 0.255 97 T C 1.026 175.762 174.700 0.059 0.000 1.113 97 T CA 0.146 62.222 62.100 -0.040 0.000 1.082 97 T CB -0.256 68.584 68.868 -0.048 0.000 0.939 97 T HN 0.506 nan 8.240 nan 0.000 0.506 98 G N 1.419 110.300 108.800 0.135 0.000 2.321 98 G HA2 0.148 4.107 3.960 -0.001 0.000 0.237 98 G HA3 0.148 4.107 3.960 -0.001 0.000 0.237 98 G C 0.614 175.639 174.900 0.209 0.000 1.282 98 G CA -0.588 44.635 45.100 0.206 0.000 0.886 98 G HN 0.425 nan 8.290 nan 0.000 0.528 99 K N 1.106 121.567 120.400 0.102 0.000 2.280 99 K HA -0.141 4.178 4.320 -0.001 0.000 0.202 99 K C 2.458 179.083 176.600 0.043 0.000 1.047 99 K CA 1.229 57.557 56.287 0.067 0.000 0.942 99 K CB 0.105 32.618 32.500 0.022 0.000 0.739 99 K HN 0.738 nan 8.250 nan 0.000 0.457 100 Q N -0.197 119.599 119.800 -0.006 0.000 2.436 100 Q HA -0.148 4.191 4.340 -0.001 0.000 0.209 100 Q C 0.908 176.782 176.000 -0.210 0.000 0.965 100 Q CA 1.064 56.768 55.803 -0.166 0.000 0.910 100 Q CB -0.235 28.294 28.738 -0.349 0.000 0.980 100 Q HN 0.472 nan 8.270 nan 0.000 0.491 101 W N 1.734 123.092 121.300 0.097 0.000 3.197 101 W HA 0.202 4.861 4.660 -0.001 0.000 0.274 101 W C 0.415 176.994 176.519 0.099 0.000 1.297 101 W CA -0.439 56.987 57.345 0.135 0.000 1.662 101 W CB 0.563 30.087 29.460 0.107 0.000 1.106 101 W HN 0.094 nan 8.180 nan 0.000 0.663 102 Q N 0.350 120.271 119.800 0.202 0.000 2.297 102 Q HA 0.349 4.688 4.340 -0.001 0.000 0.267 102 Q C 1.118 177.187 176.000 0.115 0.000 1.006 102 Q CA 1.105 56.996 55.803 0.147 0.000 0.896 102 Q CB 0.871 29.667 28.738 0.096 0.000 1.186 102 Q HN 0.319 nan 8.270 nan 0.000 0.392 103 G N 2.821 111.697 108.800 0.128 0.000 2.194 103 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.236 103 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.236 103 G C 0.150 175.134 174.900 0.140 0.000 0.987 103 G CA -0.549 44.619 45.100 0.114 0.000 0.635 103 G HN 0.568 nan 8.290 nan 0.000 0.520 104 I N 1.790 122.468 120.570 0.180 0.000 2.371 104 I HA 0.428 4.597 4.170 -0.001 0.000 0.290 104 I C 1.013 177.273 176.117 0.238 0.000 1.028 104 I CA -0.534 60.891 61.300 0.209 0.000 1.345 104 I CB 0.893 39.038 38.000 0.241 0.000 1.407 104 I HN 0.102 nan 8.210 nan 0.000 0.501 105 R N 4.749 125.373 120.500 0.208 0.000 2.700 105 R HA 0.443 4.782 4.340 -0.001 0.000 0.253 105 R C 0.794 177.218 176.300 0.205 0.000 1.091 105 R CA -0.976 55.244 56.100 0.199 0.000 1.104 105 R CB 0.885 31.283 30.300 0.164 0.000 1.202 105 R HN 0.489 nan 8.270 nan 0.000 0.532 106 M N 0.785 120.512 119.600 0.212 0.000 2.159 106 M HA -0.108 4.371 4.480 -0.001 0.000 0.263 106 M C 2.024 178.370 176.300 0.077 0.000 1.063 106 M CA 1.413 56.853 55.300 0.233 0.000 1.110 106 M CB -0.875 31.896 32.600 0.286 0.000 1.374 106 M HN 0.540 nan 8.290 nan 0.000 0.411 107 L N 1.155 122.392 121.223 0.024 0.000 2.042 107 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 107 L C 1.816 178.664 176.870 -0.036 0.000 1.076 107 L CA 2.021 56.805 54.840 -0.094 0.000 0.749 107 L CB -0.891 41.155 42.059 -0.021 0.000 0.893 107 L HN 0.246 nan 8.230 nan 0.000 0.432 108 D N -0.479 119.974 120.400 0.089 0.000 2.117 108 D HA -0.192 4.448 4.640 -0.001 0.000 0.197 108 D C 2.344 178.648 176.300 0.007 0.000 0.987 108 D CA 1.639 55.697 54.000 0.097 0.000 0.829 108 D CB -0.136 40.749 40.800 0.141 0.000 0.961 108 D HN 0.407 nan 8.370 nan 0.000 0.460 109 L N 0.840 122.081 121.223 0.030 0.000 2.017 109 L HA -0.152 4.188 4.340 -0.001 0.000 0.208 109 L C 2.613 179.389 176.870 -0.158 0.000 1.073 109 L CA 1.142 56.001 54.840 0.031 0.000 0.745 109 L CB -0.433 41.727 42.059 0.167 0.000 0.894 109 L HN -0.019 nan 8.230 nan 0.000 0.432 110 A N -0.336 122.218 122.820 -0.444 0.000 1.969 110 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 110 A C 2.036 179.191 177.584 -0.715 0.000 1.169 110 A CA 1.938 53.473 52.037 -0.838 0.000 0.635 110 A CB -0.623 17.437 19.000 -1.567 0.000 0.810 110 A HN 0.515 nan 8.150 nan 0.000 0.445 111 T N -6.024 108.224 114.554 -0.510 0.000 3.176 111 T HA 0.335 4.684 4.350 -0.001 0.000 0.263 111 T C 0.267 174.700 174.700 -0.445 0.000 1.021 111 T CA 0.223 62.026 62.100 -0.495 0.000 0.905 111 T CB -0.857 68.035 68.868 0.041 0.000 1.057 111 T HN 0.676 nan 8.240 nan 0.000 0.558 112 Y N 0.647 120.909 120.300 -0.063 0.000 4.490 112 Y HA -0.287 4.262 4.550 -0.001 0.000 0.233 112 Y C 1.327 177.163 175.900 -0.106 0.000 1.101 112 Y CA 0.521 58.582 58.100 -0.064 0.000 2.010 112 Y CB -2.904 35.534 38.460 -0.037 0.000 1.622 112 Y HN 0.595 nan 8.280 nan 0.000 0.675 113 T N -3.998 110.520 114.554 -0.060 0.000 3.176 113 T HA 0.626 4.975 4.350 -0.001 0.000 0.263 113 T C 1.494 176.189 174.700 -0.009 0.000 1.021 113 T CA 0.198 62.199 62.100 -0.164 0.000 0.905 113 T CB 0.704 69.252 68.868 -0.534 0.000 1.057 113 T HN 0.480 nan 8.240 nan 0.000 0.558 114 A N 1.549 124.411 122.820 0.070 0.000 2.019 114 A HA 0.486 4.805 4.320 -0.001 0.000 0.219 114 A C 1.964 179.692 177.584 0.240 0.000 1.164 114 A CA 0.927 53.034 52.037 0.117 0.000 0.644 114 A CB -0.935 18.085 19.000 0.034 0.000 0.805 114 A HN 1.500 nan 8.150 nan 0.000 0.449 115 G N -3.682 105.304 108.800 0.309 0.000 2.157 115 G HA2 0.413 4.372 3.960 -0.001 0.000 0.114 115 G HA3 0.413 4.372 3.960 -0.001 0.000 0.114 115 G C 1.003 176.277 174.900 0.624 0.000 1.041 115 G CA 0.420 45.798 45.100 0.462 0.000 0.714 115 G HN 1.984 nan 8.290 nan 0.000 0.492 116 G N -0.822 108.339 108.800 0.601 0.000 2.143 116 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.175 116 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.175 116 G C 0.442 175.623 174.900 0.469 0.000 1.004 116 G CA -0.052 45.380 45.100 0.553 0.000 0.671 116 G HN 1.176 nan 8.290 nan 0.000 0.512 117 L N 2.336 123.689 121.223 0.217 0.000 2.525 117 L HA 0.222 4.561 4.340 -0.001 0.000 0.278 117 L C -0.723 176.221 176.870 0.122 0.000 1.218 117 L CA -1.162 53.603 54.840 -0.124 0.000 0.878 117 L CB 0.356 42.262 42.059 -0.255 0.000 1.127 117 L HN 0.107 nan 8.230 nan 0.000 0.492 118 P HA -0.084 nan 4.420 nan 0.000 0.269 118 P C 0.548 177.927 177.300 0.132 0.000 1.215 118 P CA -0.422 62.792 63.100 0.190 0.000 0.780 118 P CB 0.992 32.837 31.700 0.241 0.000 0.898 119 L N 0.872 122.158 121.223 0.106 0.000 2.012 119 L HA -0.143 4.196 4.340 -0.001 0.000 0.210 119 L C 1.027 177.930 176.870 0.054 0.000 1.073 119 L CA 2.055 56.940 54.840 0.075 0.000 0.748 119 L CB -0.681 41.428 42.059 0.084 0.000 0.891 119 L HN 0.371 nan 8.230 nan 0.000 0.431 120 Q N -0.762 119.062 119.800 0.040 0.000 2.297 120 Q HA 0.410 4.749 4.340 -0.001 0.000 0.268 120 Q C -0.917 175.049 176.000 -0.057 0.000 1.045 120 Q CA -0.822 54.983 55.803 0.003 0.000 0.861 120 Q CB 2.039 30.762 28.738 -0.026 0.000 1.344 120 Q HN -0.061 nan 8.270 nan 0.000 0.452 121 V N 3.123 122.982 119.914 -0.093 0.000 2.530 121 V HA 0.196 4.315 4.120 -0.001 0.000 0.282 121 V C -2.023 173.888 176.094 -0.304 0.000 1.048 121 V CA -1.380 60.741 62.300 -0.299 0.000 0.997 121 V CB 0.797 32.509 31.823 -0.184 0.000 0.987 121 V HN 0.602 nan 8.190 nan 0.000 0.477 122 P HA 0.077 nan 4.420 nan 0.000 0.265 122 P C 0.085 177.273 177.300 -0.186 0.000 1.193 122 P CA -0.101 62.832 63.100 -0.279 0.000 0.765 122 P CB 0.362 31.871 31.700 -0.319 0.000 0.823 123 D N 1.197 121.535 120.400 -0.104 0.000 2.351 123 D HA -0.185 4.455 4.640 -0.001 0.000 0.216 123 D C 1.328 177.593 176.300 -0.058 0.000 0.968 123 D CA 0.660 54.621 54.000 -0.064 0.000 0.899 123 D CB -0.514 40.264 40.800 -0.036 0.000 0.907 123 D HN 0.505 nan 8.370 nan 0.000 0.514 124 E N 0.265 120.424 120.200 -0.069 0.000 2.338 124 E HA -0.071 4.279 4.350 -0.001 0.000 0.197 124 E C -0.155 176.417 176.600 -0.048 0.000 1.007 124 E CA 0.233 56.606 56.400 -0.046 0.000 0.849 124 E CB 0.329 30.005 29.700 -0.040 0.000 0.774 124 E HN 0.108 nan 8.360 nan 0.000 0.506 125 V N 1.559 121.421 119.914 -0.086 0.000 2.385 125 V HA 0.056 4.175 4.120 -0.001 0.000 0.269 125 V C 0.943 177.014 176.094 -0.037 0.000 1.043 125 V CA 0.648 62.906 62.300 -0.071 0.000 0.906 125 V CB 1.207 32.936 31.823 -0.157 0.000 0.995 125 V HN 0.296 nan 8.190 nan 0.000 0.467 126 T N -0.618 113.932 114.554 -0.007 0.000 3.058 126 T HA 0.274 4.623 4.350 -0.001 0.000 0.278 126 T C -0.038 174.670 174.700 0.013 0.000 0.974 126 T CA 0.138 62.238 62.100 0.000 0.000 0.893 126 T CB 0.207 69.075 68.868 0.002 0.000 1.138 126 T HN 0.681 nan 8.240 nan 0.000 0.529 127 D N -0.066 120.351 120.400 0.030 0.000 2.643 127 D HA 0.291 4.930 4.640 -0.001 0.000 0.283 127 D C 0.605 176.951 176.300 0.076 0.000 1.242 127 D CA -0.829 53.196 54.000 0.042 0.000 0.863 127 D CB 0.448 41.271 40.800 0.038 0.000 1.382 127 D HN -0.116 nan 8.370 nan 0.000 0.444 128 N N -0.355 118.396 118.700 0.086 0.000 2.094 128 N HA -0.197 4.542 4.740 -0.001 0.000 0.191 128 N C 1.743 177.356 175.510 0.171 0.000 1.023 128 N CA 2.642 55.777 53.050 0.142 0.000 0.857 128 N CB -0.284 38.279 38.487 0.127 0.000 1.013 128 N HN 0.494 nan 8.380 nan 0.000 0.426 129 A N -0.161 122.729 122.820 0.116 0.000 1.877 129 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 129 A C 2.360 180.010 177.584 0.109 0.000 1.186 129 A CA 2.338 54.435 52.037 0.100 0.000 0.620 129 A CB -1.221 17.819 19.000 0.067 0.000 0.822 129 A HN 0.562 nan 8.150 nan 0.000 0.443 130 S N -0.563 115.197 115.700 0.099 0.000 2.406 130 S HA -0.085 4.385 4.470 -0.001 0.000 0.228 130 S C 1.833 176.522 174.600 0.148 0.000 1.020 130 S CA 1.275 59.533 58.200 0.098 0.000 0.965 130 S CB -0.554 62.681 63.200 0.058 0.000 0.798 130 S HN 0.394 nan 8.310 nan 0.000 0.488 131 L N 1.027 122.360 121.223 0.183 0.000 2.027 131 L HA 0.156 4.496 4.340 -0.001 0.000 0.206 131 L C 2.269 179.395 176.870 0.426 0.000 1.074 131 L CA 1.436 56.445 54.840 0.283 0.000 0.745 131 L CB -0.867 41.373 42.059 0.301 0.000 0.898 131 L HN 0.389 nan 8.230 nan 0.000 0.433 132 L N -0.324 121.126 121.223 0.377 0.000 2.046 132 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 132 L C 2.707 179.650 176.870 0.121 0.000 1.077 132 L CA 1.764 56.729 54.840 0.210 0.000 0.747 132 L CB -0.738 41.350 42.059 0.047 0.000 0.896 132 L HN 0.303 nan 8.230 nan 0.000 0.432 133 R N -1.443 119.138 120.500 0.135 0.000 2.091 133 R HA -0.246 4.093 4.340 -0.001 0.000 0.238 133 R C 2.356 178.757 176.300 0.168 0.000 1.136 133 R CA 1.961 58.132 56.100 0.118 0.000 0.959 133 R CB -0.598 29.767 30.300 0.110 0.000 0.856 133 R HN 0.458 nan 8.270 nan 0.000 0.437 134 F N 0.379 120.346 119.950 0.028 0.000 2.095 134 F HA -0.255 4.271 4.527 -0.001 0.000 0.298 134 F C 1.467 177.296 175.800 0.048 0.000 1.104 134 F CA 1.525 59.505 58.000 -0.033 0.000 1.232 134 F CB -0.621 38.261 39.000 -0.198 0.000 0.987 134 F HN 0.019 nan 8.300 nan 0.000 0.475 135 Y N 0.412 120.676 120.300 -0.059 0.000 2.314 135 Y HA -0.118 4.431 4.550 -0.001 0.000 0.293 135 Y C 2.617 178.668 175.900 0.252 0.000 1.129 135 Y CA 1.312 59.403 58.100 -0.015 0.000 1.201 135 Y CB -0.937 37.510 38.460 -0.021 0.000 0.999 135 Y HN 0.129 nan 8.280 nan 0.000 0.541 136 Q N 0.085 120.021 119.800 0.227 0.000 2.119 136 Q HA -0.157 4.182 4.340 -0.001 0.000 0.201 136 Q C 1.251 177.381 176.000 0.216 0.000 0.972 136 Q CA 1.405 57.323 55.803 0.191 0.000 0.847 136 Q CB -0.473 28.292 28.738 0.045 0.000 0.903 136 Q HN 0.667 nan 8.270 nan 0.000 0.433 137 N N -0.837 117.963 118.700 0.167 0.000 2.353 137 N HA -0.042 4.697 4.740 -0.001 0.000 0.185 137 N C -0.094 175.482 175.510 0.110 0.000 1.098 137 N CA -0.437 52.682 53.050 0.115 0.000 0.872 137 N CB 0.159 38.706 38.487 0.099 0.000 0.970 137 N HN 0.157 nan 8.380 nan 0.000 0.467 138 W N 3.031 124.301 121.300 -0.049 0.000 2.295 138 W HA 0.018 4.677 4.660 -0.001 0.000 0.335 138 W C -0.329 176.134 176.519 -0.093 0.000 1.351 138 W CA 0.072 57.350 57.345 -0.112 0.000 1.273 138 W CB 0.440 29.792 29.460 -0.180 0.000 1.214 138 W HN -0.065 nan 8.180 nan 0.000 0.563 139 Q N 8.762 128.079 119.800 -0.804 0.000 2.368 139 Q HA 0.254 4.593 4.340 -0.001 0.000 0.263 139 Q C -2.037 173.219 176.000 -1.240 0.000 1.009 139 Q CA -1.816 53.467 55.803 -0.867 0.000 0.818 139 Q CB 1.650 30.134 28.738 -0.423 0.000 1.239 139 Q HN 0.356 nan 8.270 nan 0.000 0.464 140 P HA 0.051 nan 4.420 nan 0.000 0.271 140 P C -0.237 176.726 177.300 -0.563 0.000 1.216 140 P CA 0.167 62.657 63.100 -1.017 0.000 0.771 140 P CB 1.047 32.193 31.700 -0.924 0.000 0.864 141 Q N 1.416 120.902 119.800 -0.522 0.000 2.269 141 Q HA 0.051 4.390 4.340 -0.001 0.000 0.201 141 Q C 0.236 175.703 176.000 -0.889 0.000 0.946 141 Q CA 1.099 56.390 55.803 -0.853 0.000 0.877 141 Q CB 0.195 28.065 28.738 -1.446 0.000 0.963 141 Q HN 0.587 nan 8.270 nan 0.000 0.472 142 W N 0.644 121.918 121.300 -0.043 0.000 2.992 142 W HA 0.444 5.103 4.660 -0.001 0.000 0.342 142 W C -0.381 176.113 176.519 -0.042 0.000 1.176 142 W CA -1.079 56.246 57.345 -0.035 0.000 1.118 142 W CB 0.833 30.287 29.460 -0.011 0.000 1.457 142 W HN -0.243 nan 8.180 nan 0.000 0.573 143 K N 2.072 122.604 120.400 0.221 0.000 2.202 143 K HA 0.191 4.510 4.320 -0.001 0.000 0.264 143 K C -1.995 174.683 176.600 0.130 0.000 1.010 143 K CA -1.133 55.222 56.287 0.115 0.000 0.940 143 K CB -0.017 32.534 32.500 0.085 0.000 0.983 143 K HN -0.072 nan 8.250 nan 0.000 0.475 144 P HA -0.063 nan 4.420 nan 0.000 0.267 144 P C 0.257 177.615 177.300 0.097 0.000 1.200 144 P CA 0.421 63.584 63.100 0.106 0.000 0.772 144 P CB 0.509 32.275 31.700 0.109 0.000 0.855 145 G N 1.947 110.779 108.800 0.054 0.000 2.198 145 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.260 145 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.260 145 G C 0.592 175.467 174.900 -0.041 0.000 1.025 145 G CA 0.777 45.906 45.100 0.049 0.000 0.769 145 G HN 0.799 nan 8.290 nan 0.000 0.507 146 T N -5.037 109.452 114.554 -0.109 0.000 3.010 146 T HA 0.446 4.795 4.350 -0.001 0.000 0.252 146 T C 0.664 175.217 174.700 -0.244 0.000 0.963 146 T CA 1.273 63.308 62.100 -0.109 0.000 0.952 146 T CB 1.091 69.944 68.868 -0.026 0.000 1.182 146 T HN 0.599 nan 8.240 nan 0.000 0.495 147 T N 1.908 116.278 114.554 -0.306 0.000 2.921 147 T HA 0.573 4.922 4.350 -0.001 0.000 0.297 147 T C -1.217 173.272 174.700 -0.351 0.000 1.013 147 T CA -0.737 61.091 62.100 -0.454 0.000 0.990 147 T CB 2.751 71.073 68.868 -0.911 0.000 1.023 147 T HN 0.305 nan 8.240 nan 0.000 0.447 148 R N 2.644 122.955 120.500 -0.314 0.000 2.265 148 R HA 0.647 4.986 4.340 -0.001 0.000 0.319 148 R C -1.472 174.774 176.300 -0.089 0.000 1.006 148 R CA -0.755 55.246 56.100 -0.166 0.000 0.880 148 R CB 0.433 30.660 30.300 -0.122 0.000 1.077 148 R HN 0.428 nan 8.270 nan 0.000 0.454 149 L N 6.090 127.331 121.223 0.030 0.000 2.471 149 L HA 0.241 4.580 4.340 -0.001 0.000 0.263 149 L C -1.468 175.415 176.870 0.022 0.000 0.985 149 L CA -0.701 54.180 54.840 0.068 0.000 0.868 149 L CB 0.917 43.095 42.059 0.198 0.000 1.203 149 L HN 0.629 nan 8.230 nan 0.000 0.429 150 Y N 4.561 124.697 120.300 -0.272 0.000 2.881 150 Y HA 0.345 4.894 4.550 -0.001 0.000 0.335 150 Y C 0.096 175.791 175.900 -0.341 0.000 1.263 150 Y CA 1.069 58.768 58.100 -0.668 0.000 1.572 150 Y CB 0.381 38.538 38.460 -0.505 0.000 1.237 150 Y HN 0.818 nan 8.280 nan 0.000 0.568 151 A N 5.597 128.010 122.820 -0.679 0.000 2.555 151 A HA 0.301 4.620 4.320 -0.001 0.000 0.297 151 A C -0.165 177.326 177.584 -0.155 0.000 1.060 151 A CA -0.891 51.008 52.037 -0.231 0.000 0.710 151 A CB 0.874 19.881 19.000 0.011 0.000 1.282 151 A HN 0.762 nan 8.150 nan 0.000 0.399 152 N N 1.335 119.995 118.700 -0.067 0.000 2.216 152 N HA -0.098 4.641 4.740 -0.001 0.000 0.183 152 N C 1.839 177.415 175.510 0.110 0.000 1.017 152 N CA 1.585 54.658 53.050 0.038 0.000 0.861 152 N CB -0.189 38.370 38.487 0.120 0.000 0.986 152 N HN 0.841 nan 8.380 nan 0.000 0.428 153 A N -0.080 122.826 122.820 0.143 0.000 2.125 153 A HA -0.057 4.263 4.320 -0.001 0.000 0.219 153 A C 2.425 180.177 177.584 0.278 0.000 1.156 153 A CA 1.495 53.690 52.037 0.262 0.000 0.671 153 A CB -0.347 18.847 19.000 0.323 0.000 0.794 153 A HN 0.287 nan 8.150 nan 0.000 0.459 154 S N -0.874 114.934 115.700 0.181 0.000 2.357 154 S HA 0.081 4.550 4.470 -0.001 0.000 0.209 154 S C 1.822 176.505 174.600 0.138 0.000 1.023 154 S CA 0.736 59.030 58.200 0.157 0.000 0.933 154 S CB -0.350 62.957 63.200 0.179 0.000 0.897 154 S HN 0.498 nan 8.310 nan 0.000 0.529 155 I N 1.375 122.027 120.570 0.137 0.000 2.614 155 I HA 0.016 4.186 4.170 -0.001 0.000 0.258 155 I C 2.012 178.211 176.117 0.137 0.000 1.189 155 I CA 0.996 62.366 61.300 0.117 0.000 1.462 155 I CB -0.524 37.522 38.000 0.075 0.000 1.092 155 I HN 0.480 nan 8.210 nan 0.000 0.442 156 G N 1.007 109.861 108.800 0.090 0.000 2.421 156 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.216 156 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.216 156 G C 1.506 176.387 174.900 -0.031 0.000 1.171 156 G CA 0.798 45.904 45.100 0.010 0.000 0.775 156 G HN 0.372 nan 8.290 nan 0.000 0.543 157 L N -0.209 121.030 121.223 0.026 0.000 2.093 157 L HA 0.136 4.475 4.340 -0.001 0.000 0.208 157 L C 2.426 179.243 176.870 -0.089 0.000 1.085 157 L CA 1.417 56.206 54.840 -0.087 0.000 0.755 157 L CB -0.740 41.222 42.059 -0.162 0.000 0.904 157 L HN 0.235 nan 8.230 nan 0.000 0.435 158 F N 0.403 120.290 119.950 -0.106 0.000 2.065 158 F HA -0.135 4.391 4.527 -0.001 0.000 0.298 158 F C 2.187 177.926 175.800 -0.102 0.000 1.112 158 F CA 1.936 59.877 58.000 -0.099 0.000 1.212 158 F CB -1.075 37.877 39.000 -0.080 0.000 0.975 158 F HN 0.112 nan 8.300 nan 0.000 0.476 159 G N -0.420 108.240 108.800 -0.232 0.000 2.418 159 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.217 159 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.217 159 G C 1.820 176.586 174.900 -0.224 0.000 1.158 159 G CA 0.911 45.865 45.100 -0.243 0.000 0.771 159 G HN 0.677 nan 8.290 nan 0.000 0.545 160 A N 0.438 123.083 122.820 -0.292 0.000 1.933 160 A HA 0.107 4.426 4.320 -0.001 0.000 0.218 160 A C 2.411 179.821 177.584 -0.290 0.000 1.175 160 A CA 1.268 53.137 52.037 -0.280 0.000 0.628 160 A CB -0.319 18.480 19.000 -0.336 0.000 0.814 160 A HN 0.365 nan 8.150 nan 0.000 0.444 161 L N -1.224 119.786 121.223 -0.355 0.000 2.209 161 L HA -0.035 4.304 4.340 -0.001 0.000 0.207 161 L C 2.991 179.589 176.870 -0.452 0.000 1.094 161 L CA 0.735 55.362 54.840 -0.355 0.000 0.790 161 L CB -0.553 41.335 42.059 -0.284 0.000 0.932 161 L HN 0.407 nan 8.230 nan 0.000 0.447 162 A N 0.427 122.897 122.820 -0.583 0.000 2.024 162 A HA -0.155 4.164 4.320 -0.001 0.000 0.220 162 A C 2.113 179.470 177.584 -0.379 0.000 1.164 162 A CA 1.913 53.576 52.037 -0.622 0.000 0.643 162 A CB -0.701 17.785 19.000 -0.857 0.000 0.806 162 A HN 0.359 nan 8.150 nan 0.000 0.451 163 V N -3.580 116.176 119.914 -0.262 0.000 3.649 163 V HA 0.099 4.218 4.120 -0.001 0.000 0.275 163 V C 1.593 177.607 176.094 -0.133 0.000 1.281 163 V CA 1.080 63.276 62.300 -0.174 0.000 1.143 163 V CB -0.469 31.279 31.823 -0.126 0.000 0.892 163 V HN 0.426 nan 8.190 nan 0.000 0.441 164 K N 1.321 121.636 120.400 -0.142 0.000 2.103 164 K HA -0.052 4.267 4.320 -0.001 0.000 0.207 164 K C -0.156 176.427 176.600 -0.027 0.000 1.048 164 K CA 1.960 58.204 56.287 -0.072 0.000 0.930 164 K CB -1.299 31.178 32.500 -0.038 0.000 0.716 164 K HN 0.485 nan 8.250 nan 0.000 0.444 165 P HA -0.125 nan 4.420 nan 0.000 0.221 165 P C 1.343 178.634 177.300 -0.014 0.000 1.150 165 P CA 1.247 64.355 63.100 0.014 0.000 0.800 165 P CB 0.072 31.793 31.700 0.035 0.000 0.787 166 S N -1.199 114.474 115.700 -0.045 0.000 2.402 166 S HA 0.017 4.486 4.470 -0.001 0.000 0.229 166 S C 1.928 176.505 174.600 -0.039 0.000 1.021 166 S CA 1.297 59.468 58.200 -0.048 0.000 0.974 166 S CB -1.458 61.697 63.200 -0.074 0.000 0.800 166 S HN 0.280 nan 8.310 nan 0.000 0.484 167 G N 0.662 109.440 108.800 -0.037 0.000 2.199 167 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.254 167 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.254 167 G C 0.047 174.925 174.900 -0.038 0.000 0.982 167 G CA 0.453 45.535 45.100 -0.029 0.000 0.632 167 G HN 0.556 nan 8.290 nan 0.000 0.529 168 M N 0.784 120.353 119.600 -0.052 0.000 2.444 168 M HA 0.490 4.969 4.480 -0.001 0.000 0.319 168 M C -2.347 173.918 176.300 -0.059 0.000 1.183 168 M CA -1.944 53.322 55.300 -0.057 0.000 1.032 168 M CB 1.108 33.664 32.600 -0.073 0.000 1.569 168 M HN -0.117 nan 8.290 nan 0.000 0.468 169 P HA 0.037 nan 4.420 nan 0.000 0.274 169 P C -0.155 177.129 177.300 -0.027 0.000 1.231 169 P CA -0.164 62.920 63.100 -0.026 0.000 0.790 169 P CB 0.414 32.102 31.700 -0.021 0.000 0.951 170 Y N 2.303 122.537 120.300 -0.110 0.000 2.030 170 Y HA -0.338 4.211 4.550 -0.001 0.000 0.272 170 Y C 2.361 178.195 175.900 -0.110 0.000 1.185 170 Y CA 2.442 60.470 58.100 -0.121 0.000 1.120 170 Y CB -0.313 38.066 38.460 -0.136 0.000 0.955 170 Y HN 0.508 nan 8.280 nan 0.000 0.495 171 E N -0.485 119.734 120.200 0.032 0.000 2.118 171 E HA -0.332 4.018 4.350 -0.001 0.000 0.195 171 E C 2.302 178.825 176.600 -0.127 0.000 0.992 171 E CA 1.583 57.955 56.400 -0.047 0.000 0.804 171 E CB -0.285 29.417 29.700 0.004 0.000 0.741 171 E HN 0.714 nan 8.360 nan 0.000 0.458 172 Q N -0.432 119.301 119.800 -0.110 0.000 2.137 172 Q HA -0.092 4.247 4.340 -0.001 0.000 0.198 172 Q C 2.076 177.986 176.000 -0.151 0.000 0.960 172 Q CA 1.056 56.795 55.803 -0.108 0.000 0.847 172 Q CB -0.102 28.591 28.738 -0.075 0.000 0.915 172 Q HN 0.361 nan 8.270 nan 0.000 0.448 173 A N 0.699 123.399 122.820 -0.200 0.000 1.902 173 A HA -0.215 4.105 4.320 -0.001 0.000 0.217 173 A C 1.988 179.411 177.584 -0.267 0.000 1.181 173 A CA 1.639 53.540 52.037 -0.226 0.000 0.623 173 A CB -0.558 18.279 19.000 -0.272 0.000 0.818 173 A HN 0.508 nan 8.150 nan 0.000 0.443 174 M N -0.128 119.241 119.600 -0.385 0.000 2.159 174 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 174 M C 1.952 178.114 176.300 -0.230 0.000 1.063 174 M CA 2.428 57.517 55.300 -0.351 0.000 1.110 174 M CB -0.845 31.488 32.600 -0.445 0.000 1.374 174 M HN 0.343 nan 8.290 nan 0.000 0.411 175 T N -0.300 114.130 114.554 -0.207 0.000 2.770 175 T HA -0.086 4.263 4.350 -0.001 0.000 0.263 175 T C 1.692 176.310 174.700 -0.136 0.000 1.039 175 T CA 2.066 64.059 62.100 -0.177 0.000 1.142 175 T CB -0.686 68.093 68.868 -0.148 0.000 0.868 175 T HN 0.678 nan 8.240 nan 0.000 0.435 176 T N 0.786 115.270 114.554 -0.117 0.000 2.951 176 T HA 0.041 4.390 4.350 -0.001 0.000 0.268 176 T C 1.880 176.536 174.700 -0.073 0.000 1.073 176 T CA 0.446 62.493 62.100 -0.088 0.000 1.134 176 T CB -0.070 68.752 68.868 -0.077 0.000 0.884 176 T HN 0.285 nan 8.240 nan 0.000 0.479 177 R N 0.148 120.600 120.500 -0.080 0.000 2.254 177 R HA 0.368 4.708 4.340 -0.001 0.000 0.193 177 R C 1.698 177.989 176.300 -0.016 0.000 0.929 177 R CA 0.367 56.438 56.100 -0.050 0.000 1.038 177 R CB 0.190 30.454 30.300 -0.061 0.000 1.009 177 R HN 0.368 nan 8.270 nan 0.000 0.512 178 V N 0.480 120.380 119.914 -0.023 0.000 3.029 178 V HA 0.038 4.157 4.120 -0.001 0.000 0.230 178 V C 2.111 178.225 176.094 0.035 0.000 1.254 178 V CA 0.324 62.653 62.300 0.049 0.000 1.276 178 V CB -0.079 31.798 31.823 0.090 0.000 1.080 178 V HN 0.023 nan 8.190 nan 0.000 0.495 179 L N 0.068 121.253 121.223 -0.063 0.000 2.005 179 L HA -0.109 4.230 4.340 -0.001 0.000 0.207 179 L C 2.555 179.364 176.870 -0.101 0.000 1.072 179 L CA 1.771 56.542 54.840 -0.116 0.000 0.744 179 L CB -0.639 41.269 42.059 -0.251 0.000 0.895 179 L HN 0.270 nan 8.230 nan 0.000 0.433 180 K N -0.185 120.151 120.400 -0.106 0.000 2.057 180 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 180 K C -0.209 176.362 176.600 -0.049 0.000 1.049 180 K CA 1.334 57.566 56.287 -0.091 0.000 0.931 180 K CB -1.045 31.402 32.500 -0.087 0.000 0.714 180 K HN 0.257 nan 8.250 nan 0.000 0.440 181 P HA -0.125 nan 4.420 nan 0.000 0.217 181 P C 0.893 178.200 177.300 0.012 0.000 1.150 181 P CA 1.132 64.229 63.100 -0.004 0.000 0.832 181 P CB 0.133 31.838 31.700 0.009 0.000 0.787 182 L N -2.096 119.149 121.223 0.036 0.000 2.592 182 L HA 0.146 4.486 4.340 -0.001 0.000 0.227 182 L C 0.078 176.969 176.870 0.034 0.000 1.127 182 L CA -0.028 54.850 54.840 0.063 0.000 0.884 182 L CB -0.557 41.598 42.059 0.160 0.000 1.065 182 L HN -0.116 nan 8.230 nan 0.000 0.457 183 K N 0.611 121.005 120.400 -0.009 0.000 3.096 183 K HA -0.158 4.161 4.320 -0.001 0.000 0.266 183 K C -0.433 176.137 176.600 -0.050 0.000 1.043 183 K CA 0.689 56.954 56.287 -0.037 0.000 0.758 183 K CB -1.960 30.529 32.500 -0.018 0.000 1.260 183 K HN 0.252 nan 8.250 nan 0.000 0.481 184 L N 0.675 121.848 121.223 -0.083 0.000 2.449 184 L HA 0.161 4.500 4.340 -0.001 0.000 0.255 184 L C 0.565 177.254 176.870 -0.302 0.000 1.167 184 L CA -0.494 54.269 54.840 -0.129 0.000 1.090 184 L CB 0.510 42.507 42.059 -0.104 0.000 1.385 184 L HN 0.114 nan 8.230 nan 0.000 0.411 185 D N -0.515 119.701 120.400 -0.306 0.000 2.363 185 D HA -0.038 4.601 4.640 -0.001 0.000 0.220 185 D C 0.881 176.632 176.300 -0.914 0.000 0.994 185 D CA 0.989 54.671 54.000 -0.529 0.000 0.890 185 D CB 0.310 40.867 40.800 -0.405 0.000 0.906 185 D HN 0.441 nan 8.370 nan 0.000 0.530 186 H N -0.369 118.422 119.070 -0.465 0.000 2.676 186 H HA 0.266 4.821 4.556 -0.001 0.000 0.238 186 H C -0.365 174.585 175.328 -0.631 0.000 1.276 186 H CA -0.031 55.753 56.048 -0.439 0.000 0.983 186 H CB 0.391 30.093 29.762 -0.101 0.000 2.000 186 H HN -0.173 nan 8.280 nan 0.000 0.584 187 T N 0.981 114.935 114.554 -1.000 0.000 2.840 187 T HA 0.339 4.688 4.350 -0.001 0.000 0.287 187 T C -0.741 173.387 174.700 -0.954 0.000 0.991 187 T CA -0.536 61.122 62.100 -0.736 0.000 0.964 187 T CB 1.245 69.774 68.868 -0.565 0.000 0.954 187 T HN 0.245 nan 8.240 nan 0.000 0.438 188 W N 1.876 123.011 121.300 -0.276 0.000 3.031 188 W HA 0.618 5.277 4.660 -0.002 0.000 0.337 188 W C 0.585 176.940 176.519 -0.272 0.000 1.187 188 W CA -0.883 56.307 57.345 -0.257 0.000 1.166 188 W CB 1.045 30.371 29.460 -0.223 0.000 1.437 188 W HN 0.440 nan 8.180 nan 0.000 0.551 189 I N 0.941 121.537 120.570 0.043 0.000 2.927 189 I HA 0.071 4.240 4.170 -0.001 0.000 0.268 189 I C -0.174 175.924 176.117 -0.031 0.000 1.153 189 I CA 0.522 61.795 61.300 -0.045 0.000 1.459 189 I CB 0.082 38.057 38.000 -0.042 0.000 1.149 189 I HN 0.403 nan 8.210 nan 0.000 0.443 190 N N 0.531 119.237 118.700 0.010 0.000 2.531 190 N HA 0.269 5.008 4.740 -0.001 0.000 0.268 190 N C -0.815 174.599 175.510 -0.162 0.000 1.023 190 N CA -0.307 52.707 53.050 -0.061 0.000 0.896 190 N CB 2.399 40.855 38.487 -0.052 0.000 1.233 190 N HN -0.195 nan 8.380 nan 0.000 0.512 191 V N 4.212 123.962 119.914 -0.275 0.000 2.450 191 V HA 0.105 4.225 4.120 -0.001 0.000 0.281 191 V C -1.392 174.381 176.094 -0.535 0.000 1.019 191 V CA -0.945 61.023 62.300 -0.554 0.000 1.062 191 V CB -0.428 31.115 31.823 -0.465 0.000 0.979 191 V HN 0.573 nan 8.190 nan 0.000 0.477 192 P HA 0.137 nan 4.420 nan 0.000 0.272 192 P C 0.686 177.783 177.300 -0.339 0.000 1.223 192 P CA -0.474 62.301 63.100 -0.542 0.000 0.784 192 P CB 1.060 32.334 31.700 -0.710 0.000 0.923 193 K N 1.877 122.151 120.400 -0.210 0.000 2.044 193 K HA -0.162 4.157 4.320 -0.001 0.000 0.210 193 K C 1.950 178.481 176.600 -0.116 0.000 1.049 193 K CA 2.049 58.257 56.287 -0.132 0.000 0.927 193 K CB -1.124 31.321 32.500 -0.091 0.000 0.713 193 K HN 0.594 nan 8.250 nan 0.000 0.443 194 A N 0.433 123.181 122.820 -0.119 0.000 2.125 194 A HA -0.145 4.174 4.320 -0.001 0.000 0.219 194 A C 1.650 179.211 177.584 -0.038 0.000 1.156 194 A CA 1.583 53.580 52.037 -0.067 0.000 0.671 194 A CB -0.157 18.817 19.000 -0.043 0.000 0.794 194 A HN 0.272 nan 8.150 nan 0.000 0.459 195 E N -1.060 119.081 120.200 -0.098 0.000 2.498 195 E HA 0.133 4.482 4.350 -0.001 0.000 0.203 195 E C 1.504 178.102 176.600 -0.004 0.000 1.013 195 E CA -0.037 56.365 56.400 0.004 0.000 0.927 195 E CB 0.064 29.707 29.700 -0.095 0.000 1.012 195 E HN 0.639 nan 8.360 nan 0.000 0.482 196 E N 0.153 120.317 120.200 -0.060 0.000 2.160 196 E HA -0.234 4.116 4.350 -0.001 0.000 0.195 196 E C 1.726 178.320 176.600 -0.011 0.000 0.991 196 E CA 0.932 57.324 56.400 -0.013 0.000 0.810 196 E CB -0.032 29.652 29.700 -0.026 0.000 0.742 196 E HN 0.306 nan 8.360 nan 0.000 0.466 197 A N 0.600 123.363 122.820 -0.095 0.000 2.076 197 A HA -0.191 4.128 4.320 -0.001 0.000 0.220 197 A C 1.541 179.004 177.584 -0.202 0.000 1.160 197 A CA 1.264 53.197 52.037 -0.174 0.000 0.653 197 A CB -0.464 18.364 19.000 -0.288 0.000 0.801 197 A HN 0.303 nan 8.150 nan 0.000 0.455 198 H N -3.226 115.861 119.070 0.029 0.000 2.563 198 H HA 0.064 4.619 4.556 -0.002 0.000 0.264 198 H C -0.222 175.140 175.328 0.057 0.000 0.957 198 H CA -0.018 56.049 56.048 0.032 0.000 1.173 198 H CB -0.074 29.700 29.762 0.020 0.000 1.420 198 H HN 0.461 nan 8.280 nan 0.000 0.551 199 Y N 3.003 123.288 120.300 -0.025 0.000 2.587 199 Y HA 0.323 4.872 4.550 -0.001 0.000 0.344 199 Y C 0.404 176.186 175.900 -0.197 0.000 1.061 199 Y CA -1.433 56.587 58.100 -0.134 0.000 1.370 199 Y CB -0.437 37.895 38.460 -0.214 0.000 1.163 199 Y HN 0.067 nan 8.280 nan 0.000 0.527 200 A N 5.789 128.681 122.820 0.121 0.000 2.310 200 A HA 0.331 4.650 4.320 -0.001 0.000 0.260 200 A C -0.979 176.474 177.584 -0.218 0.000 1.112 200 A CA -0.394 51.621 52.037 -0.036 0.000 0.804 200 A CB 0.300 19.222 19.000 -0.130 0.000 1.081 200 A HN 0.859 nan 8.150 nan 0.000 0.499 201 W N -1.065 120.165 121.300 -0.116 0.000 2.551 201 W HA 0.533 5.192 4.660 -0.001 0.000 0.330 201 W C 0.610 176.733 176.519 -0.660 0.000 1.063 201 W CA 0.152 57.293 57.345 -0.340 0.000 1.222 201 W CB 1.726 30.926 29.460 -0.434 0.000 1.349 201 W HN 0.928 nan 8.180 nan 0.000 0.536 202 G N 1.549 110.067 108.800 -0.470 0.000 2.425 202 G HA2 0.566 4.525 3.960 -0.001 0.000 0.302 202 G HA3 0.566 4.525 3.960 -0.001 0.000 0.302 202 G C -2.075 172.403 174.900 -0.704 0.000 1.159 202 G CA -0.416 44.178 45.100 -0.843 0.000 0.865 202 G HN 0.433 nan 8.290 nan 0.000 0.515 203 Y N -0.240 119.999 120.300 -0.103 0.000 2.425 203 Y HA 0.638 5.187 4.550 -0.001 0.000 0.344 203 Y C 0.450 176.355 175.900 0.009 0.000 0.969 203 Y CA -0.882 57.209 58.100 -0.015 0.000 1.052 203 Y CB 2.591 41.039 38.460 -0.020 0.000 1.215 203 Y HN 0.502 nan 8.280 nan 0.000 0.451 204 R N 2.525 123.117 120.500 0.153 0.000 2.512 204 R HA 0.262 4.601 4.340 -0.001 0.000 0.291 204 R C -1.624 174.732 176.300 0.094 0.000 1.097 204 R CA -0.497 55.668 56.100 0.108 0.000 0.940 204 R CB 0.782 31.130 30.300 0.080 0.000 1.198 204 R HN 0.816 nan 8.270 nan 0.000 0.429 205 D N 3.537 123.984 120.400 0.079 0.000 2.699 205 D HA -0.167 4.472 4.640 -0.001 0.000 0.239 205 D C 0.873 177.206 176.300 0.056 0.000 1.136 205 D CA 2.037 56.070 54.000 0.055 0.000 0.668 205 D CB -1.069 39.756 40.800 0.042 0.000 1.060 205 D HN 1.072 nan 8.370 nan 0.000 0.429 206 G N -0.311 108.531 108.800 0.069 0.000 2.228 206 G HA2 -0.415 3.544 3.960 -0.001 0.000 0.270 206 G HA3 -0.415 3.544 3.960 -0.001 0.000 0.270 206 G C 0.416 175.380 174.900 0.106 0.000 0.976 206 G CA 1.160 46.295 45.100 0.057 0.000 0.636 206 G HN 0.752 nan 8.290 nan 0.000 0.542 207 K N 0.616 121.086 120.400 0.118 0.000 2.130 207 K HA 0.737 5.056 4.320 -0.001 0.000 0.268 207 K C 0.303 176.967 176.600 0.107 0.000 0.983 207 K CA -0.141 56.200 56.287 0.090 0.000 0.893 207 K CB 1.207 33.731 32.500 0.041 0.000 1.066 207 K HN 0.581 nan 8.250 nan 0.000 0.450 208 A N 3.672 126.487 122.820 -0.008 0.000 2.309 208 A HA 0.467 4.786 4.320 -0.001 0.000 0.290 208 A C -0.454 177.122 177.584 -0.012 0.000 1.206 208 A CA -0.520 51.388 52.037 -0.215 0.000 0.850 208 A CB 0.091 18.794 19.000 -0.496 0.000 1.118 208 A HN 0.645 nan 8.150 nan 0.000 0.523 209 V N 0.567 120.544 119.914 0.104 0.000 3.078 209 V HA 0.870 4.989 4.120 -0.001 0.000 0.311 209 V C -0.522 175.705 176.094 0.221 0.000 1.138 209 V CA -1.135 61.294 62.300 0.214 0.000 1.007 209 V CB 1.862 33.754 31.823 0.115 0.000 1.045 209 V HN 0.955 nan 8.190 nan 0.000 0.432 210 R N 0.652 121.239 120.500 0.146 0.000 2.867 210 R HA 0.743 5.082 4.340 -0.001 0.000 0.268 210 R C -1.134 175.220 176.300 0.090 0.000 1.014 210 R CA -0.872 55.253 56.100 0.041 0.000 0.946 210 R CB 2.447 32.572 30.300 -0.291 0.000 1.208 210 R HN 0.758 nan 8.270 nan 0.000 0.477 211 V N 1.590 121.566 119.914 0.103 0.000 2.763 211 V HA 0.061 4.180 4.120 -0.001 0.000 0.306 211 V C -0.303 175.853 176.094 0.102 0.000 1.059 211 V CA 0.728 63.098 62.300 0.117 0.000 1.138 211 V CB 1.388 33.300 31.823 0.147 0.000 0.940 211 V HN 0.731 nan 8.190 nan 0.000 0.489 212 S N 6.728 122.492 115.700 0.108 0.000 2.578 212 S HA 0.543 5.012 4.470 -0.001 0.000 0.283 212 S C -2.367 172.302 174.600 0.116 0.000 1.195 212 S CA -0.760 57.493 58.200 0.090 0.000 1.050 212 S CB 1.403 64.643 63.200 0.066 0.000 1.012 212 S HN 0.785 nan 8.310 nan 0.000 0.511 213 P HA 0.424 nan 4.420 nan 0.000 0.268 213 P C -0.248 177.095 177.300 0.071 0.000 1.205 213 P CA 0.024 63.155 63.100 0.052 0.000 0.771 213 P CB 0.434 32.148 31.700 0.023 0.000 0.858 214 G N 1.514 110.351 108.800 0.061 0.000 2.698 214 G HA2 0.465 4.424 3.960 -0.001 0.000 0.293 214 G HA3 0.465 4.424 3.960 -0.001 0.000 0.293 214 G C -1.103 173.800 174.900 0.004 0.000 1.437 214 G CA -0.722 44.425 45.100 0.078 0.000 0.852 214 G HN 0.268 nan 8.290 nan 0.000 0.499 215 M N 1.615 121.215 119.600 -0.001 0.000 2.238 215 M HA 0.190 4.669 4.480 -0.001 0.000 0.350 215 M C 1.018 177.282 176.300 -0.059 0.000 1.321 215 M CA 0.428 55.707 55.300 -0.034 0.000 1.097 215 M CB 0.152 32.739 32.600 -0.021 0.000 1.713 215 M HN 0.696 nan 8.290 nan 0.000 0.455 216 L N 1.477 122.626 121.223 -0.124 0.000 4.232 216 L HA -0.328 4.011 4.340 -0.001 0.000 0.415 216 L C 1.088 177.763 176.870 -0.325 0.000 1.168 216 L CA 0.560 55.284 54.840 -0.194 0.000 0.966 216 L CB -1.929 40.077 42.059 -0.088 0.000 2.052 216 L HN 0.726 nan 8.230 nan 0.000 0.887 217 D N 0.516 120.673 120.400 -0.404 0.000 2.117 217 D HA -0.133 4.506 4.640 -0.001 0.000 0.197 217 D C 1.947 177.807 176.300 -0.732 0.000 0.987 217 D CA 1.479 54.959 54.000 -0.868 0.000 0.829 217 D CB -0.089 40.342 40.800 -0.615 0.000 0.961 217 D HN 0.444 nan 8.370 nan 0.000 0.460 218 A N 0.341 122.892 122.820 -0.448 0.000 1.940 218 A HA -0.246 4.073 4.320 -0.001 0.000 0.219 218 A C 2.201 179.567 177.584 -0.363 0.000 1.176 218 A CA 1.999 53.835 52.037 -0.335 0.000 0.631 218 A CB -0.731 18.133 19.000 -0.226 0.000 0.814 218 A HN 0.249 nan 8.150 nan 0.000 0.446 219 Q N -1.052 118.425 119.800 -0.538 0.000 2.311 219 Q HA 0.290 4.630 4.340 -0.001 0.000 0.203 219 Q C 1.892 177.783 176.000 -0.182 0.000 0.954 219 Q CA 1.376 56.900 55.803 -0.466 0.000 0.885 219 Q CB -0.176 28.215 28.738 -0.577 0.000 0.963 219 Q HN 0.666 nan 8.270 nan 0.000 0.471 220 A N -0.956 121.735 122.820 -0.214 0.000 2.070 220 A HA 0.155 4.474 4.320 -0.001 0.000 0.202 220 A C 0.701 178.342 177.584 0.095 0.000 1.277 220 A CA 0.409 52.428 52.037 -0.029 0.000 0.872 220 A CB 0.224 19.265 19.000 0.069 0.000 0.933 220 A HN 0.468 nan 8.150 nan 0.000 0.475 221 Y N -4.370 115.928 120.300 -0.004 0.000 2.991 221 Y HA 0.436 4.985 4.550 -0.001 0.000 0.289 221 Y C 0.962 176.852 175.900 -0.016 0.000 1.008 221 Y CA -0.310 57.798 58.100 0.012 0.000 1.266 221 Y CB -0.380 38.098 38.460 0.030 0.000 1.401 221 Y HN 0.012 nan 8.280 nan 0.000 0.587 222 G N 1.109 109.776 108.800 -0.222 0.000 3.371 222 G HA2 0.376 4.335 3.960 -0.001 0.000 0.248 222 G HA3 0.376 4.335 3.960 -0.001 0.000 0.248 222 G C -0.259 174.564 174.900 -0.128 0.000 1.161 222 G CA 0.057 45.065 45.100 -0.153 0.000 0.796 222 G HN 0.105 nan 8.290 nan 0.000 0.539 223 V N 0.411 120.245 119.914 -0.133 0.000 2.607 223 V HA 0.415 4.535 4.120 -0.001 0.000 0.289 223 V C -0.184 175.804 176.094 -0.177 0.000 1.053 223 V CA -0.341 61.832 62.300 -0.211 0.000 0.996 223 V CB 1.458 33.059 31.823 -0.369 0.000 0.995 223 V HN 0.177 nan 8.190 nan 0.000 0.476 224 K N 1.994 122.278 120.400 -0.193 0.000 2.316 224 K HA 0.809 5.129 4.320 -0.001 0.000 0.251 224 K C -0.400 176.131 176.600 -0.114 0.000 0.934 224 K CA -0.388 55.789 56.287 -0.183 0.000 0.802 224 K CB 2.177 34.475 32.500 -0.337 0.000 1.171 224 K HN 0.794 nan 8.250 nan 0.000 0.426 225 T N 0.405 114.941 114.554 -0.030 0.000 2.718 225 T HA 0.416 4.765 4.350 -0.001 0.000 0.306 225 T C -1.839 172.943 174.700 0.136 0.000 1.485 225 T CA -0.878 61.228 62.100 0.011 0.000 0.997 225 T CB 0.772 69.611 68.868 -0.048 0.000 1.504 225 T HN 0.781 nan 8.240 nan 0.000 0.497 226 N N 0.111 118.881 118.700 0.117 0.000 2.471 226 N HA 0.454 5.193 4.740 -0.001 0.000 0.288 226 N C 0.962 176.549 175.510 0.127 0.000 1.220 226 N CA -0.617 52.532 53.050 0.164 0.000 0.893 226 N CB 0.566 39.087 38.487 0.057 0.000 1.256 226 N HN 0.262 nan 8.380 nan 0.000 0.534 227 V N -0.002 119.985 119.914 0.123 0.000 2.720 227 V HA -0.226 3.894 4.120 -0.001 0.000 0.256 227 V C 1.920 178.087 176.094 0.123 0.000 1.082 227 V CA 1.935 64.308 62.300 0.122 0.000 1.101 227 V CB -0.806 31.104 31.823 0.144 0.000 0.693 227 V HN 0.661 nan 8.190 nan 0.000 0.479 228 Q N -0.969 118.799 119.800 -0.053 0.000 2.033 228 Q HA -0.172 4.167 4.340 -0.001 0.000 0.196 228 Q C 2.012 178.067 176.000 0.092 0.000 0.970 228 Q CA 1.781 57.536 55.803 -0.079 0.000 0.828 228 Q CB -0.183 28.402 28.738 -0.255 0.000 0.895 228 Q HN 0.558 nan 8.270 nan 0.000 0.440 229 D N 0.360 120.802 120.400 0.069 0.000 2.178 229 D HA -0.146 4.493 4.640 -0.001 0.000 0.201 229 D C 1.668 178.084 176.300 0.193 0.000 0.980 229 D CA 1.012 55.072 54.000 0.100 0.000 0.842 229 D CB -0.001 40.817 40.800 0.031 0.000 0.948 229 D HN 0.081 nan 8.370 nan 0.000 0.472 230 M N 0.350 120.072 119.600 0.203 0.000 2.175 230 M HA 0.003 4.482 4.480 -0.001 0.000 0.264 230 M C 1.849 178.321 176.300 0.288 0.000 1.063 230 M CA 1.069 56.541 55.300 0.287 0.000 1.119 230 M CB -0.143 32.601 32.600 0.240 0.000 1.377 230 M HN -0.010 nan 8.290 nan 0.000 0.415 231 A N 0.160 123.128 122.820 0.248 0.000 1.902 231 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 231 A C 1.984 179.647 177.584 0.131 0.000 1.181 231 A CA 1.953 54.106 52.037 0.194 0.000 0.623 231 A CB -0.971 18.202 19.000 0.288 0.000 0.818 231 A HN 0.635 nan 8.150 nan 0.000 0.443 232 N N -1.269 117.530 118.700 0.166 0.000 2.396 232 N HA -0.132 4.607 4.740 -0.001 0.000 0.180 232 N C 1.535 177.139 175.510 0.157 0.000 1.028 232 N CA 0.906 54.027 53.050 0.119 0.000 0.893 232 N CB -0.280 38.279 38.487 0.120 0.000 0.967 232 N HN 0.851 nan 8.380 nan 0.000 0.440 233 W N 1.609 122.916 121.300 0.012 0.000 2.409 233 W HA -0.101 4.558 4.660 -0.001 0.000 0.299 233 W C 1.445 177.905 176.519 -0.098 0.000 1.203 233 W CA 0.641 57.981 57.345 -0.009 0.000 1.298 233 W CB 0.019 29.515 29.460 0.058 0.000 1.127 233 W HN -0.211 nan 8.180 nan 0.000 0.528 234 V N 1.880 121.720 119.914 -0.122 0.000 2.343 234 V HA -0.355 3.764 4.120 -0.001 0.000 0.247 234 V C 2.399 178.124 176.094 -0.617 0.000 1.051 234 V CA 2.181 64.201 62.300 -0.467 0.000 1.036 234 V CB -0.772 30.896 31.823 -0.259 0.000 0.654 234 V HN 0.194 nan 8.190 nan 0.000 0.451 235 M N -0.370 119.027 119.600 -0.339 0.000 2.175 235 M HA -0.123 4.356 4.480 -0.001 0.000 0.264 235 M C 2.315 178.417 176.300 -0.329 0.000 1.063 235 M CA 1.928 57.044 55.300 -0.307 0.000 1.119 235 M CB -0.498 32.005 32.600 -0.162 0.000 1.377 235 M HN 0.401 nan 8.290 nan 0.000 0.415 236 A N 0.413 123.051 122.820 -0.304 0.000 1.969 236 A HA -0.121 4.198 4.320 -0.001 0.000 0.218 236 A C 1.864 179.198 177.584 -0.417 0.000 1.169 236 A CA 1.470 53.337 52.037 -0.283 0.000 0.635 236 A CB -0.657 18.231 19.000 -0.188 0.000 0.810 236 A HN 0.513 nan 8.150 nan 0.000 0.445 237 N N -1.152 117.156 118.700 -0.653 0.000 2.376 237 N HA -0.015 4.724 4.740 -0.001 0.000 0.177 237 N C 1.717 176.809 175.510 -0.696 0.000 1.024 237 N CA 1.205 53.825 53.050 -0.716 0.000 0.893 237 N CB -0.078 37.837 38.487 -0.954 0.000 0.980 237 N HN 0.643 nan 8.380 nan 0.000 0.439 238 M N 0.342 119.446 119.600 -0.827 0.000 2.388 238 M HA 0.081 4.560 4.480 -0.001 0.000 0.265 238 M C 0.076 176.188 176.300 -0.313 0.000 1.088 238 M CA 0.924 55.859 55.300 -0.609 0.000 1.134 238 M CB 0.422 32.617 32.600 -0.675 0.000 1.384 238 M HN -0.071 nan 8.290 nan 0.000 0.447 239 A N 0.925 123.571 122.820 -0.291 0.000 3.216 239 A HA 0.440 4.760 4.320 -0.001 0.000 0.321 239 A C -2.206 175.274 177.584 -0.172 0.000 1.042 239 A CA -1.021 50.900 52.037 -0.193 0.000 0.838 239 A CB 0.022 18.922 19.000 -0.166 0.000 1.136 239 A HN 0.291 nan 8.150 nan 0.000 0.483 240 P HA -0.178 nan 4.420 nan 0.000 0.225 240 P C 1.003 178.249 177.300 -0.091 0.000 1.148 240 P CA 1.063 64.084 63.100 -0.131 0.000 0.779 240 P CB 0.267 31.892 31.700 -0.124 0.000 0.780 241 E N 0.813 120.962 120.200 -0.085 0.000 2.268 241 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 241 E C 1.159 177.723 176.600 -0.060 0.000 0.995 241 E CA 0.937 57.298 56.400 -0.065 0.000 0.836 241 E CB -1.417 28.245 29.700 -0.062 0.000 0.763 241 E HN 0.435 nan 8.360 nan 0.000 0.491 242 N N 0.756 119.413 118.700 -0.071 0.000 2.515 242 N HA 0.018 4.757 4.740 -0.001 0.000 0.185 242 N C -0.170 175.309 175.510 -0.052 0.000 1.109 242 N CA -0.097 52.916 53.050 -0.062 0.000 0.903 242 N CB 0.494 38.938 38.487 -0.073 0.000 0.969 242 N HN -0.059 nan 8.380 nan 0.000 0.450 243 V N 1.369 121.252 119.914 -0.053 0.000 2.488 243 V HA 0.142 4.261 4.120 -0.001 0.000 0.277 243 V C 1.091 177.169 176.094 -0.027 0.000 1.046 243 V CA -0.199 62.078 62.300 -0.037 0.000 0.986 243 V CB 1.144 32.944 31.823 -0.038 0.000 0.989 243 V HN 0.178 nan 8.190 nan 0.000 0.475 244 A N 3.818 126.626 122.820 -0.019 0.000 1.872 244 A HA -0.021 4.298 4.320 -0.001 0.000 0.214 244 A C 1.009 178.585 177.584 -0.012 0.000 1.187 244 A CA 0.679 52.707 52.037 -0.016 0.000 0.614 244 A CB -0.229 18.762 19.000 -0.014 0.000 0.826 244 A HN 0.754 nan 8.150 nan 0.000 0.442 245 D N -0.080 120.315 120.400 -0.007 0.000 2.417 245 D HA 0.441 5.080 4.640 -0.001 0.000 0.250 245 D C 1.237 177.536 176.300 -0.003 0.000 1.166 245 D CA 0.738 54.736 54.000 -0.004 0.000 0.881 245 D CB 1.443 42.243 40.800 0.000 0.000 1.164 245 D HN 0.242 nan 8.370 nan 0.000 0.467 246 A N 2.799 125.617 122.820 -0.004 0.000 1.877 246 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 246 A C 2.140 179.726 177.584 0.003 0.000 1.186 246 A CA 2.076 54.111 52.037 -0.003 0.000 0.620 246 A CB -0.513 18.485 19.000 -0.003 0.000 0.822 246 A HN 0.588 nan 8.150 nan 0.000 0.443 247 S N -0.520 115.184 115.700 0.007 0.000 2.383 247 S HA -0.111 4.358 4.470 -0.001 0.000 0.227 247 S C 1.861 176.474 174.600 0.022 0.000 1.026 247 S CA 1.362 59.571 58.200 0.014 0.000 0.981 247 S CB -0.607 62.599 63.200 0.011 0.000 0.818 247 S HN 0.380 nan 8.310 nan 0.000 0.472 248 L N 2.180 123.416 121.223 0.021 0.000 2.046 248 L HA 0.060 4.399 4.340 -0.001 0.000 0.208 248 L C 2.556 179.441 176.870 0.025 0.000 1.077 248 L CA 1.985 56.846 54.840 0.035 0.000 0.747 248 L CB -0.902 41.180 42.059 0.038 0.000 0.896 248 L HN 0.376 nan 8.230 nan 0.000 0.432 249 K N -0.980 119.424 120.400 0.007 0.000 2.063 249 K HA -0.290 4.030 4.320 -0.001 0.000 0.208 249 K C 2.201 178.798 176.600 -0.004 0.000 1.048 249 K CA 1.973 58.253 56.287 -0.011 0.000 0.928 249 K CB -0.129 32.361 32.500 -0.018 0.000 0.713 249 K HN 0.387 nan 8.250 nan 0.000 0.442 250 Q N 0.097 119.903 119.800 0.009 0.000 2.172 250 Q HA -0.020 4.319 4.340 -0.001 0.000 0.200 250 Q C 1.820 177.845 176.000 0.040 0.000 0.964 250 Q CA 1.855 57.669 55.803 0.018 0.000 0.855 250 Q CB -0.546 28.204 28.738 0.020 0.000 0.918 250 Q HN 0.428 nan 8.270 nan 0.000 0.444 251 G N 0.714 109.544 108.800 0.051 0.000 2.440 251 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.218 251 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.218 251 G C 1.432 176.390 174.900 0.097 0.000 1.154 251 G CA 1.002 46.151 45.100 0.083 0.000 0.767 251 G HN 0.433 nan 8.290 nan 0.000 0.552 252 I N 1.196 121.802 120.570 0.059 0.000 2.315 252 I HA -0.124 4.045 4.170 -0.001 0.000 0.248 252 I C 3.225 179.361 176.117 0.031 0.000 1.117 252 I CA 0.838 62.158 61.300 0.034 0.000 1.404 252 I CB -0.112 37.852 38.000 -0.059 0.000 1.071 252 I HN 0.250 nan 8.210 nan 0.000 0.419 253 A N 0.804 123.634 122.820 0.017 0.000 1.898 253 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 253 A C 2.260 179.874 177.584 0.049 0.000 1.181 253 A CA 1.184 53.225 52.037 0.006 0.000 0.620 253 A CB -0.722 18.273 19.000 -0.009 0.000 0.819 253 A HN 0.365 nan 8.150 nan 0.000 0.442 254 L N -0.820 120.459 121.223 0.094 0.000 2.141 254 L HA -0.157 4.182 4.340 -0.001 0.000 0.209 254 L C 2.927 179.954 176.870 0.260 0.000 1.094 254 L CA 0.907 55.847 54.840 0.167 0.000 0.763 254 L CB -0.373 41.788 42.059 0.170 0.000 0.908 254 L HN 0.437 nan 8.230 nan 0.000 0.437 255 A N -1.036 121.927 122.820 0.237 0.000 2.067 255 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 255 A C 2.011 179.811 177.584 0.360 0.000 1.156 255 A CA 0.916 53.148 52.037 0.325 0.000 0.683 255 A CB -0.158 19.063 19.000 0.369 0.000 0.808 255 A HN 0.456 nan 8.150 nan 0.000 0.455 256 Q N 0.046 119.967 119.800 0.201 0.000 2.220 256 Q HA 0.210 4.549 4.340 -0.001 0.000 0.205 256 Q C -0.189 175.829 176.000 0.030 0.000 0.865 256 Q CA -0.325 55.535 55.803 0.095 0.000 0.960 256 Q CB 0.435 29.141 28.738 -0.054 0.000 1.097 256 Q HN 0.507 nan 8.270 nan 0.000 0.493 257 S N 0.560 116.273 115.700 0.021 0.000 2.614 257 S HA 0.325 4.794 4.470 -0.001 0.000 0.265 257 S C 0.051 174.472 174.600 -0.299 0.000 1.303 257 S CA -0.336 57.736 58.200 -0.215 0.000 1.000 257 S CB 0.711 63.675 63.200 -0.392 0.000 0.935 257 S HN 0.223 nan 8.310 nan 0.000 0.551 258 R N 0.851 121.114 120.500 -0.394 0.000 2.246 258 R HA 0.289 4.628 4.340 -0.001 0.000 0.332 258 R C -0.519 175.564 176.300 -0.361 0.000 0.974 258 R CA -0.189 55.792 56.100 -0.198 0.000 0.837 258 R CB 0.545 30.788 30.300 -0.096 0.000 1.145 258 R HN 0.675 nan 8.270 nan 0.000 0.467 259 Y N 0.542 120.843 120.300 0.002 0.000 2.503 259 Y HA 0.167 4.717 4.550 -0.001 0.000 0.277 259 Y C 0.103 175.696 175.900 -0.513 0.000 1.102 259 Y CA 0.176 58.104 58.100 -0.287 0.000 1.261 259 Y CB 0.556 38.831 38.460 -0.310 0.000 1.096 259 Y HN 0.453 nan 8.280 nan 0.000 0.546 260 W N -0.379 121.065 121.300 0.241 0.000 3.107 260 W HA 0.576 5.235 4.660 -0.001 0.000 0.331 260 W C -0.662 175.914 176.519 0.095 0.000 1.204 260 W CA -1.290 56.144 57.345 0.149 0.000 1.184 260 W CB 1.120 30.650 29.460 0.118 0.000 1.421 260 W HN -0.503 nan 8.180 nan 0.000 0.544 261 R N 1.902 122.546 120.500 0.241 0.000 2.445 261 R HA 0.726 5.065 4.340 -0.001 0.000 0.308 261 R C -1.465 174.801 176.300 -0.057 0.000 0.961 261 R CA -0.606 55.419 56.100 -0.125 0.000 0.862 261 R CB 0.742 30.937 30.300 -0.175 0.000 1.144 261 R HN 0.566 nan 8.270 nan 0.000 0.447 262 I N 5.593 126.082 120.570 -0.135 0.000 2.595 262 I HA 0.346 4.515 4.170 -0.001 0.000 0.275 262 I C 0.799 176.851 176.117 -0.108 0.000 1.092 262 I CA 0.138 61.394 61.300 -0.074 0.000 1.145 262 I CB 1.482 39.467 38.000 -0.026 0.000 1.276 262 I HN 1.027 nan 8.210 nan 0.000 0.497 263 G N 4.242 112.977 108.800 -0.109 0.000 2.557 263 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.292 263 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.292 263 G C 0.907 175.728 174.900 -0.133 0.000 1.162 263 G CA 0.568 45.612 45.100 -0.094 0.000 0.964 263 G HN 0.730 nan 8.290 nan 0.000 0.541 264 S N 0.252 115.894 115.700 -0.096 0.000 2.556 264 S HA 0.494 4.963 4.470 -0.001 0.000 0.216 264 S C 0.904 175.467 174.600 -0.062 0.000 0.970 264 S CA 1.142 59.302 58.200 -0.067 0.000 0.912 264 S CB -0.088 63.098 63.200 -0.024 0.000 0.790 264 S HN 1.413 nan 8.310 nan 0.000 0.504 265 M N -0.124 119.408 119.600 -0.114 0.000 2.578 265 M HA 0.759 5.238 4.480 -0.001 0.000 0.321 265 M C -1.712 174.478 176.300 -0.184 0.000 1.182 265 M CA -0.826 54.473 55.300 -0.002 0.000 0.965 265 M CB 0.958 33.622 32.600 0.106 0.000 1.694 265 M HN -0.017 nan 8.290 nan 0.000 0.461 266 Y N 0.326 120.727 120.300 0.167 0.000 2.393 266 Y HA 0.560 5.109 4.550 -0.001 0.000 0.341 266 Y C -0.580 175.469 175.900 0.249 0.000 0.988 266 Y CA -0.578 57.635 58.100 0.187 0.000 1.078 266 Y CB 1.904 40.443 38.460 0.130 0.000 1.203 266 Y HN 0.681 nan 8.280 nan 0.000 0.453 267 Q N 1.715 121.774 119.800 0.433 0.000 2.303 267 Q HA 0.602 4.941 4.340 -0.001 0.000 0.257 267 Q C -0.077 176.208 176.000 0.475 0.000 0.941 267 Q CA -0.224 55.843 55.803 0.440 0.000 0.931 267 Q CB 1.227 30.238 28.738 0.456 0.000 1.215 267 Q HN 0.904 nan 8.270 nan 0.000 0.437 268 G N 2.684 111.740 108.800 0.426 0.000 2.857 268 G HA2 0.496 4.455 3.960 -0.001 0.000 0.217 268 G HA3 0.496 4.455 3.960 -0.001 0.000 0.217 268 G C -0.969 174.119 174.900 0.313 0.000 1.357 268 G CA -0.848 44.530 45.100 0.463 0.000 1.033 268 G HN 0.587 nan 8.290 nan 0.000 0.571 269 L N 1.290 122.672 121.223 0.265 0.000 2.282 269 L HA 0.425 4.764 4.340 -0.001 0.000 0.287 269 L C 1.447 178.377 176.870 0.099 0.000 1.075 269 L CA 0.526 55.399 54.840 0.056 0.000 0.839 269 L CB 0.435 42.520 42.059 0.043 0.000 1.219 269 L HN 1.055 nan 8.230 nan 0.000 0.434 270 G N 2.304 111.128 108.800 0.040 0.000 3.444 270 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.222 270 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.222 270 G C 0.037 174.987 174.900 0.083 0.000 1.358 270 G CA -0.160 44.955 45.100 0.024 0.000 0.880 270 G HN 0.526 nan 8.290 nan 0.000 0.555 271 W N 2.272 123.691 121.300 0.198 0.000 2.158 271 W HA 0.577 5.236 4.660 -0.002 0.000 0.339 271 W C 0.783 177.440 176.519 0.230 0.000 1.294 271 W CA -0.219 57.240 57.345 0.190 0.000 1.231 271 W CB 0.446 29.988 29.460 0.137 0.000 1.143 271 W HN 0.275 nan 8.180 nan 0.000 0.571 272 E N 1.910 122.453 120.200 0.571 0.000 2.238 272 E HA 0.530 4.880 4.350 -0.001 0.000 0.267 272 E C -0.859 176.019 176.600 0.463 0.000 0.887 272 E CA -1.100 55.596 56.400 0.495 0.000 0.769 272 E CB 1.744 31.736 29.700 0.487 0.000 1.187 272 E HN 0.177 nan 8.360 nan 0.000 0.416 273 M N 2.154 121.980 119.600 0.377 0.000 2.518 273 M HA 0.477 4.956 4.480 -0.001 0.000 0.300 273 M C -1.437 175.067 176.300 0.339 0.000 1.175 273 M CA -0.351 55.119 55.300 0.284 0.000 0.890 273 M CB 1.768 34.469 32.600 0.168 0.000 1.710 273 M HN 0.307 nan 8.290 nan 0.000 0.453 274 L N 0.881 122.272 121.223 0.281 0.000 2.388 274 L HA 0.559 4.898 4.340 -0.001 0.000 0.264 274 L C -0.416 176.603 176.870 0.248 0.000 0.998 274 L CA -0.492 54.511 54.840 0.272 0.000 0.817 274 L CB 2.248 44.388 42.059 0.134 0.000 1.338 274 L HN 0.673 nan 8.230 nan 0.000 0.414 275 N N 0.811 119.642 118.700 0.218 0.000 2.518 275 N HA 0.105 4.844 4.740 -0.001 0.000 0.266 275 N C -1.396 174.239 175.510 0.208 0.000 1.196 275 N CA -0.219 52.925 53.050 0.157 0.000 0.947 275 N CB 0.915 39.464 38.487 0.102 0.000 1.098 275 N HN 0.481 nan 8.380 nan 0.000 0.450 276 W N 3.583 124.915 121.300 0.053 0.000 2.573 276 W HA 0.410 5.069 4.660 -0.001 0.000 0.326 276 W C -2.705 173.840 176.519 0.043 0.000 1.049 276 W CA -1.859 55.529 57.345 0.073 0.000 1.220 276 W CB 1.038 30.555 29.460 0.095 0.000 1.373 276 W HN 0.420 nan 8.180 nan 0.000 0.507 277 P HA 0.192 nan 4.420 nan 0.000 0.271 277 P C -1.145 175.772 177.300 -0.638 0.000 1.218 277 P CA -0.178 62.105 63.100 -1.360 0.000 0.780 277 P CB 1.613 32.728 31.700 -0.975 0.000 0.901 278 V N 1.607 121.149 119.914 -0.621 0.000 2.888 278 V HA 0.294 4.413 4.120 -0.001 0.000 0.309 278 V C -0.601 175.373 176.094 -0.200 0.000 1.114 278 V CA -0.798 61.347 62.300 -0.259 0.000 0.940 278 V CB 2.209 33.953 31.823 -0.131 0.000 1.021 278 V HN 0.417 nan 8.190 nan 0.000 0.426 279 E N 2.895 122.970 120.200 -0.208 0.000 2.383 279 E HA 0.548 4.897 4.350 -0.001 0.000 0.264 279 E C 1.012 177.345 176.600 -0.445 0.000 1.050 279 E CA 0.736 56.994 56.400 -0.238 0.000 0.896 279 E CB 1.683 31.272 29.700 -0.184 0.000 0.982 279 E HN 0.840 nan 8.360 nan 0.000 0.424 280 A N 3.467 125.858 122.820 -0.715 0.000 1.883 280 A HA -0.292 4.027 4.320 -0.001 0.000 0.217 280 A C 1.908 179.197 177.584 -0.492 0.000 1.186 280 A CA 2.198 53.641 52.037 -0.989 0.000 0.624 280 A CB -0.815 17.627 19.000 -0.929 0.000 0.822 280 A HN 0.771 nan 8.150 nan 0.000 0.444 281 N N -0.462 118.048 118.700 -0.316 0.000 2.137 281 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 281 N C 1.551 176.952 175.510 -0.182 0.000 1.017 281 N CA 2.499 55.429 53.050 -0.201 0.000 0.859 281 N CB -0.513 37.889 38.487 -0.143 0.000 1.002 281 N HN 0.406 nan 8.380 nan 0.000 0.428 282 T N -0.686 113.746 114.554 -0.203 0.000 2.777 282 T HA -0.041 4.309 4.350 -0.001 0.000 0.266 282 T C 1.891 176.495 174.700 -0.160 0.000 1.040 282 T CA 1.368 63.372 62.100 -0.160 0.000 1.141 282 T CB -0.303 68.473 68.868 -0.153 0.000 0.868 282 T HN 0.074 nan 8.240 nan 0.000 0.444 283 V N 1.153 120.921 119.914 -0.245 0.000 2.379 283 V HA -0.092 4.027 4.120 -0.001 0.000 0.245 283 V C 2.658 178.700 176.094 -0.087 0.000 1.044 283 V CA 1.019 63.197 62.300 -0.204 0.000 1.036 283 V CB -0.764 30.796 31.823 -0.438 0.000 0.664 283 V HN 0.285 nan 8.190 nan 0.000 0.453 284 V N 1.573 121.398 119.914 -0.148 0.000 2.261 284 V HA -0.283 3.836 4.120 -0.001 0.000 0.246 284 V C 2.603 178.650 176.094 -0.078 0.000 1.047 284 V CA 2.443 64.677 62.300 -0.110 0.000 1.015 284 V CB -0.841 30.895 31.823 -0.145 0.000 0.642 284 V HN 0.861 nan 8.190 nan 0.000 0.446 285 E N 0.850 121.001 120.200 -0.081 0.000 2.274 285 E HA -0.080 4.269 4.350 -0.001 0.000 0.194 285 E C 2.124 178.697 176.600 -0.044 0.000 0.996 285 E CA 1.222 57.586 56.400 -0.061 0.000 0.840 285 E CB -0.533 29.130 29.700 -0.062 0.000 0.772 285 E HN 0.518 nan 8.360 nan 0.000 0.491 286 G N 1.584 110.365 108.800 -0.032 0.000 2.534 286 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.217 286 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.217 286 G C 1.710 176.611 174.900 0.002 0.000 1.128 286 G CA 0.702 45.798 45.100 -0.006 0.000 0.784 286 G HN 0.420 nan 8.290 nan 0.000 0.542 287 S N -0.223 115.475 115.700 -0.003 0.000 2.527 287 S HA 0.021 4.490 4.470 -0.001 0.000 0.222 287 S C 0.749 175.308 174.600 -0.068 0.000 0.985 287 S CA 0.120 58.303 58.200 -0.029 0.000 0.921 287 S CB 0.042 63.222 63.200 -0.034 0.000 0.772 287 S HN 0.209 nan 8.310 nan 0.000 0.529 288 D N 2.027 122.392 120.400 -0.058 0.000 2.425 288 D HA 0.223 4.862 4.640 -0.001 0.000 0.247 288 D C 0.879 177.142 176.300 -0.062 0.000 1.147 288 D CA 0.205 54.170 54.000 -0.059 0.000 0.879 288 D CB 1.353 42.125 40.800 -0.046 0.000 1.179 288 D HN 0.153 nan 8.370 nan 0.000 0.456 289 S N 3.658 119.320 115.700 -0.064 0.000 2.413 289 S HA -0.237 4.232 4.470 -0.001 0.000 0.237 289 S C 1.688 176.260 174.600 -0.046 0.000 1.044 289 S CA 1.141 59.304 58.200 -0.063 0.000 1.024 289 S CB -0.059 63.114 63.200 -0.046 0.000 0.829 289 S HN 0.587 nan 8.310 nan 0.000 0.475 290 K N 0.225 120.604 120.400 -0.035 0.000 2.097 290 K HA -0.051 4.268 4.320 -0.001 0.000 0.206 290 K C 1.928 178.511 176.600 -0.028 0.000 1.049 290 K CA 1.270 57.542 56.287 -0.025 0.000 0.933 290 K CB -0.159 32.329 32.500 -0.021 0.000 0.717 290 K HN 0.264 nan 8.250 nan 0.000 0.442 291 V N 0.173 120.064 119.914 -0.038 0.000 2.581 291 V HA -0.022 4.097 4.120 -0.001 0.000 0.240 291 V C 2.123 178.186 176.094 -0.052 0.000 1.054 291 V CA 1.367 63.643 62.300 -0.039 0.000 1.076 291 V CB -0.041 31.761 31.823 -0.035 0.000 0.748 291 V HN 0.238 nan 8.190 nan 0.000 0.474 292 A N -0.023 122.752 122.820 -0.076 0.000 1.940 292 A HA -0.130 4.189 4.320 -0.001 0.000 0.219 292 A C 2.011 179.505 177.584 -0.150 0.000 1.176 292 A CA 1.729 53.688 52.037 -0.130 0.000 0.631 292 A CB -0.458 18.430 19.000 -0.187 0.000 0.814 292 A HN 0.516 nan 8.150 nan 0.000 0.446 293 L N -1.090 120.076 121.223 -0.095 0.000 2.607 293 L HA 0.273 4.613 4.340 -0.001 0.000 0.228 293 L C 1.091 177.965 176.870 0.007 0.000 1.123 293 L CA -0.118 54.698 54.840 -0.039 0.000 0.890 293 L CB -0.250 41.797 42.059 -0.019 0.000 1.103 293 L HN 0.366 nan 8.230 nan 0.000 0.468 294 A N 1.525 124.339 122.820 -0.010 0.000 2.340 294 A HA 0.519 4.839 4.320 -0.001 0.000 0.268 294 A C -2.257 175.317 177.584 -0.017 0.000 1.100 294 A CA -1.088 50.950 52.037 0.002 0.000 0.803 294 A CB -0.167 18.826 19.000 -0.012 0.000 1.043 294 A HN -0.087 nan 8.150 nan 0.000 0.488 295 P HA 0.483 nan 4.420 nan 0.000 0.286 295 P C -1.119 176.052 177.300 -0.214 0.000 1.269 295 P CA 0.143 63.153 63.100 -0.151 0.000 0.787 295 P CB 0.829 32.428 31.700 -0.167 0.000 0.920 296 L N 4.844 125.921 121.223 -0.245 0.000 2.393 296 L HA 0.537 4.876 4.340 -0.001 0.000 0.260 296 L C -2.369 174.349 176.870 -0.253 0.000 1.002 296 L CA -2.681 52.035 54.840 -0.206 0.000 0.818 296 L CB 3.026 45.012 42.059 -0.121 0.000 1.369 296 L HN 0.190 nan 8.230 nan 0.000 0.412 297 P HA 0.186 nan 4.420 nan 0.000 0.275 297 P C -0.971 176.247 177.300 -0.135 0.000 1.228 297 P CA -0.219 62.766 63.100 -0.192 0.000 0.786 297 P CB 1.624 33.243 31.700 -0.136 0.000 0.927 298 V N -1.112 118.726 119.914 -0.128 0.000 3.019 298 V HA 0.941 5.060 4.120 -0.001 0.000 0.317 298 V C -0.617 175.542 176.094 0.109 0.000 1.094 298 V CA -1.432 60.848 62.300 -0.034 0.000 1.000 298 V CB 1.518 33.224 31.823 -0.194 0.000 1.060 298 V HN 0.694 nan 8.190 nan 0.000 0.443 299 A N 1.563 124.517 122.820 0.224 0.000 2.319 299 A HA 0.640 4.959 4.320 -0.001 0.000 0.310 299 A C -0.236 177.559 177.584 0.351 0.000 1.152 299 A CA -0.582 51.590 52.037 0.225 0.000 0.783 299 A CB 0.916 19.986 19.000 0.116 0.000 1.184 299 A HN 1.033 nan 8.150 nan 0.000 0.474 300 E N 1.863 122.248 120.200 0.310 0.000 2.384 300 E HA 0.332 4.681 4.350 -0.001 0.000 0.266 300 E C -0.995 175.581 176.600 -0.040 0.000 1.012 300 E CA -0.070 56.358 56.400 0.047 0.000 0.901 300 E CB 0.674 30.362 29.700 -0.020 0.000 0.967 300 E HN 0.367 nan 8.360 nan 0.000 0.435 301 V N 6.207 126.026 119.914 -0.159 0.000 2.259 301 V HA 0.204 4.323 4.120 -0.001 0.000 0.267 301 V C -0.194 175.806 176.094 -0.155 0.000 1.051 301 V CA -0.684 61.559 62.300 -0.094 0.000 0.830 301 V CB 0.592 32.384 31.823 -0.052 0.000 1.080 301 V HN 0.531 nan 8.190 nan 0.000 0.467 302 N N 5.119 123.757 118.700 -0.103 0.000 2.461 302 N HA 0.554 5.293 4.740 -0.001 0.000 0.284 302 N C -2.522 172.955 175.510 -0.054 0.000 1.049 302 N CA -1.139 51.857 53.050 -0.090 0.000 0.889 302 N CB 2.461 40.901 38.487 -0.079 0.000 1.365 302 N HN 0.331 nan 8.380 nan 0.000 0.499 303 P HA 0.366 nan 4.420 nan 0.000 0.272 303 P C -2.588 174.645 177.300 -0.112 0.000 1.223 303 P CA -0.777 62.283 63.100 -0.067 0.000 0.784 303 P CB -0.074 31.596 31.700 -0.050 0.000 0.923 304 P HA 0.123 nan 4.420 nan 0.000 0.265 304 P C -0.792 176.356 177.300 -0.254 0.000 1.193 304 P CA 0.095 63.019 63.100 -0.293 0.000 0.765 304 P CB 0.323 31.764 31.700 -0.431 0.000 0.823 305 A N 6.098 128.763 122.820 -0.258 0.000 2.362 305 A HA 0.436 4.755 4.320 -0.001 0.000 0.276 305 A C -1.985 175.471 177.584 -0.213 0.000 1.153 305 A CA -1.411 50.508 52.037 -0.197 0.000 0.813 305 A CB -0.623 18.270 19.000 -0.178 0.000 1.081 305 A HN 0.397 nan 8.150 nan 0.000 0.507 306 P HA 0.193 nan 4.420 nan 0.000 0.270 306 P C -2.643 174.581 177.300 -0.126 0.000 1.223 306 P CA -1.246 61.778 63.100 -0.127 0.000 0.785 306 P CB -0.601 31.046 31.700 -0.089 0.000 0.923 307 P HA -0.058 nan 4.420 nan 0.000 0.261 307 P C -0.528 176.712 177.300 -0.100 0.000 1.165 307 P CA 0.697 63.737 63.100 -0.100 0.000 0.759 307 P CB 0.038 31.688 31.700 -0.083 0.000 0.772 308 V N 5.340 125.188 119.914 -0.111 0.000 2.370 308 V HA 0.140 4.259 4.120 -0.001 0.000 0.283 308 V C 1.399 177.449 176.094 -0.074 0.000 1.023 308 V CA -0.165 62.078 62.300 -0.096 0.000 0.857 308 V CB 1.386 33.136 31.823 -0.123 0.000 0.985 308 V HN 0.441 nan 8.190 nan 0.000 0.443 309 K N 3.675 124.042 120.400 -0.056 0.000 2.097 309 K HA 0.028 4.347 4.320 -0.001 0.000 0.206 309 K C 1.423 178.008 176.600 -0.025 0.000 1.049 309 K CA 1.290 57.547 56.287 -0.050 0.000 0.933 309 K CB -0.088 32.386 32.500 -0.044 0.000 0.717 309 K HN 0.809 nan 8.250 nan 0.000 0.442 310 A N 1.021 123.854 122.820 0.021 0.000 3.051 310 A HA 0.234 4.553 4.320 -0.001 0.000 0.257 310 A C -0.584 177.096 177.584 0.160 0.000 1.785 310 A CA -0.012 52.098 52.037 0.122 0.000 1.420 310 A CB -0.264 18.819 19.000 0.138 0.000 1.063 310 A HN 0.058 nan 8.150 nan 0.000 0.630 311 S N 0.203 115.956 115.700 0.089 0.000 2.599 311 S HA 0.581 5.051 4.470 -0.001 0.000 0.287 311 S C -1.060 173.586 174.600 0.077 0.000 1.105 311 S CA -0.575 57.685 58.200 0.100 0.000 0.899 311 S CB 1.293 64.472 63.200 -0.034 0.000 1.100 311 S HN 0.677 nan 8.310 nan 0.000 0.482 312 W N 3.620 124.895 121.300 -0.042 0.000 2.282 312 W HA 0.559 5.218 4.660 -0.001 0.000 0.322 312 W C -1.894 174.451 176.519 -0.289 0.000 1.011 312 W CA -0.659 56.600 57.345 -0.144 0.000 1.392 312 W CB 0.464 29.955 29.460 0.052 0.000 1.215 312 W HN 0.335 nan 8.180 nan 0.000 0.394 313 V N 7.752 127.233 119.914 -0.721 0.000 2.370 313 V HA 0.383 4.502 4.120 -0.001 0.000 0.279 313 V C 0.138 175.816 176.094 -0.692 0.000 1.029 313 V CA -0.188 61.642 62.300 -0.782 0.000 0.870 313 V CB 0.776 31.674 31.823 -1.542 0.000 0.984 313 V HN 0.656 nan 8.190 nan 0.000 0.451 314 H N 2.660 121.639 119.070 -0.152 0.000 2.960 314 H HA 0.915 5.471 4.556 -0.001 0.000 0.323 314 H C -1.228 174.298 175.328 0.330 0.000 1.326 314 H CA -1.352 54.708 56.048 0.019 0.000 1.124 314 H CB 2.289 32.082 29.762 0.051 0.000 1.853 314 H HN 0.425 nan 8.280 nan 0.000 0.536 315 K N 1.205 121.667 120.400 0.104 0.000 2.575 315 K HA 0.242 4.561 4.320 -0.001 0.000 0.255 315 K C -1.422 175.238 176.600 0.101 0.000 0.953 315 K CA -0.111 56.207 56.287 0.052 0.000 0.840 315 K CB 2.042 34.580 32.500 0.063 0.000 1.303 315 K HN 0.913 nan 8.250 nan 0.000 0.438 316 T N -0.059 114.572 114.554 0.129 0.000 2.918 316 T HA 0.865 5.214 4.350 -0.001 0.000 0.283 316 T C 0.267 175.045 174.700 0.130 0.000 1.001 316 T CA -0.533 61.692 62.100 0.208 0.000 1.041 316 T CB 1.642 70.553 68.868 0.072 0.000 1.028 316 T HN 0.653 nan 8.240 nan 0.000 0.511 317 G N 0.316 109.198 108.800 0.136 0.000 2.766 317 G HA2 0.562 4.521 3.960 -0.001 0.000 0.297 317 G HA3 0.562 4.521 3.960 -0.001 0.000 0.297 317 G C -1.315 173.663 174.900 0.131 0.000 1.431 317 G CA -0.786 44.396 45.100 0.137 0.000 1.042 317 G HN 0.841 nan 8.290 nan 0.000 0.542 318 S N -0.427 115.347 115.700 0.123 0.000 2.579 318 S HA 0.904 5.374 4.470 -0.001 0.000 0.272 318 S C -0.057 174.619 174.600 0.126 0.000 1.141 318 S CA -0.461 57.816 58.200 0.129 0.000 0.843 318 S CB 2.235 65.478 63.200 0.072 0.000 1.122 318 S HN 1.337 nan 8.310 nan 0.000 0.468 319 T N -2.066 112.593 114.554 0.174 0.000 2.742 319 T HA 0.668 5.017 4.350 -0.001 0.000 0.282 319 T C 1.362 176.154 174.700 0.154 0.000 1.025 319 T CA -0.215 61.968 62.100 0.138 0.000 1.020 319 T CB 0.713 69.696 68.868 0.191 0.000 1.317 319 T HN 0.606 nan 8.240 nan 0.000 0.538 320 G N -0.032 108.841 108.800 0.122 0.000 2.505 320 G HA2 0.093 4.052 3.960 -0.001 0.000 0.220 320 G HA3 0.093 4.052 3.960 -0.001 0.000 0.220 320 G C 1.144 176.129 174.900 0.141 0.000 1.145 320 G CA 0.817 45.982 45.100 0.108 0.000 0.761 320 G HN 1.261 nan 8.290 nan 0.000 0.571 321 G N -1.453 107.478 108.800 0.218 0.000 3.377 321 G HA2 0.479 4.438 3.960 -0.001 0.000 0.257 321 G HA3 0.479 4.438 3.960 -0.001 0.000 0.257 321 G C -0.449 174.465 174.900 0.023 0.000 1.038 321 G CA -0.502 44.663 45.100 0.108 0.000 0.809 321 G HN 0.182 nan 8.290 nan 0.000 0.526 322 F N 0.027 120.075 119.950 0.162 0.000 2.563 322 F HA 0.715 5.241 4.527 -0.001 0.000 0.316 322 F C 0.399 176.313 175.800 0.190 0.000 1.076 322 F CA -1.118 57.017 58.000 0.225 0.000 0.921 322 F CB 2.649 41.800 39.000 0.251 0.000 1.209 322 F HN 0.004 nan 8.300 nan 0.000 0.462 323 G N 1.015 110.049 108.800 0.391 0.000 2.744 323 G HA2 0.578 4.537 3.960 -0.001 0.000 0.286 323 G HA3 0.578 4.537 3.960 -0.001 0.000 0.286 323 G C -1.567 173.470 174.900 0.228 0.000 1.497 323 G CA -0.547 44.679 45.100 0.210 0.000 1.070 323 G HN 0.578 nan 8.290 nan 0.000 0.539 324 S N 0.200 116.012 115.700 0.187 0.000 2.632 324 S HA 0.819 5.288 4.470 -0.001 0.000 0.289 324 S C -1.753 173.004 174.600 0.261 0.000 1.115 324 S CA -0.653 57.674 58.200 0.212 0.000 0.889 324 S CB 2.104 65.427 63.200 0.205 0.000 1.116 324 S HN 0.704 nan 8.310 nan 0.000 0.486 325 Y N 0.891 121.260 120.300 0.116 0.000 2.519 325 Y HA 0.554 5.104 4.550 -0.001 0.000 0.336 325 Y C -1.636 174.370 175.900 0.176 0.000 1.089 325 Y CA -0.941 57.237 58.100 0.129 0.000 1.025 325 Y CB 1.139 39.672 38.460 0.122 0.000 1.318 325 Y HN 0.623 nan 8.280 nan 0.000 0.452 326 V N 1.703 121.372 119.914 -0.408 0.000 2.760 326 V HA 1.072 5.192 4.120 -0.001 0.000 0.309 326 V C -1.093 174.722 176.094 -0.465 0.000 1.077 326 V CA -0.418 61.751 62.300 -0.220 0.000 0.910 326 V CB 1.118 33.043 31.823 0.171 0.000 1.008 326 V HN 1.419 nan 8.190 nan 0.000 0.424 327 A N 4.379 126.992 122.820 -0.346 0.000 2.547 327 A HA 1.024 5.343 4.320 -0.001 0.000 0.297 327 A C -1.189 176.148 177.584 -0.413 0.000 1.056 327 A CA -0.518 51.187 52.037 -0.554 0.000 0.688 327 A CB 1.766 20.302 19.000 -0.773 0.000 1.282 327 A HN 2.207 nan 8.150 nan 0.000 0.400 328 F N -0.546 118.993 119.950 -0.685 0.000 2.654 328 F HA 0.825 5.352 4.527 -0.001 0.000 0.308 328 F C -1.420 174.030 175.800 -0.584 0.000 1.108 328 F CA -1.206 56.453 58.000 -0.568 0.000 0.957 328 F CB 1.295 40.031 39.000 -0.440 0.000 1.309 328 F HN 0.312 nan 8.300 nan 0.000 0.446 329 I N 2.882 123.256 120.570 -0.326 0.000 2.464 329 I HA 0.316 4.485 4.170 -0.001 0.000 0.277 329 I C -2.088 173.910 176.117 -0.197 0.000 1.040 329 I CA -1.915 59.154 61.300 -0.384 0.000 1.153 329 I CB 1.769 39.384 38.000 -0.643 0.000 1.274 329 I HN 0.400 nan 8.210 nan 0.000 0.469 330 P HA -0.233 nan 4.420 nan 0.000 0.216 330 P C 1.439 178.677 177.300 -0.103 0.000 1.153 330 P CA 1.267 64.326 63.100 -0.067 0.000 0.858 330 P CB 0.311 31.982 31.700 -0.048 0.000 0.789 331 E N 0.134 120.268 120.200 -0.110 0.000 2.153 331 E HA -0.194 4.156 4.350 -0.001 0.000 0.194 331 E C 1.376 177.920 176.600 -0.094 0.000 0.988 331 E CA 1.177 57.529 56.400 -0.079 0.000 0.811 331 E CB -0.171 29.512 29.700 -0.027 0.000 0.746 331 E HN 0.176 nan 8.360 nan 0.000 0.466 332 K N -0.388 119.921 120.400 -0.152 0.000 2.374 332 K HA 0.065 4.385 4.320 -0.001 0.000 0.196 332 K C -0.070 176.452 176.600 -0.130 0.000 1.023 332 K CA 0.032 56.237 56.287 -0.137 0.000 1.103 332 K CB 0.729 33.116 32.500 -0.187 0.000 0.848 332 K HN 0.010 nan 8.250 nan 0.000 0.528 333 Q N 0.499 120.219 119.800 -0.134 0.000 2.475 333 Q HA -0.190 4.149 4.340 -0.001 0.000 0.280 333 Q C -0.379 175.552 176.000 -0.115 0.000 1.234 333 Q CA 1.120 56.846 55.803 -0.129 0.000 0.873 333 Q CB -2.216 26.445 28.738 -0.129 0.000 1.256 333 Q HN 0.592 nan 8.270 nan 0.000 0.475 334 I N -3.945 116.556 120.570 -0.114 0.000 2.646 334 I HA 0.962 5.131 4.170 -0.001 0.000 0.299 334 I C 0.441 176.501 176.117 -0.095 0.000 1.036 334 I CA -0.716 60.541 61.300 -0.071 0.000 1.074 334 I CB 2.557 40.531 38.000 -0.043 0.000 1.258 334 I HN 0.008 nan 8.210 nan 0.000 0.430 335 G N 4.245 113.009 108.800 -0.061 0.000 2.660 335 G HA2 0.707 4.666 3.960 -0.001 0.000 0.290 335 G HA3 0.707 4.666 3.960 -0.001 0.000 0.290 335 G C -2.080 172.805 174.900 -0.025 0.000 1.432 335 G CA -0.738 44.327 45.100 -0.057 0.000 0.807 335 G HN 0.840 nan 8.290 nan 0.000 0.485 336 I N -0.126 120.435 120.570 -0.015 0.000 2.752 336 I HA 0.661 4.831 4.170 -0.001 0.000 0.295 336 I C -1.390 174.770 176.117 0.072 0.000 1.219 336 I CA -0.954 60.373 61.300 0.046 0.000 1.030 336 I CB 2.327 40.373 38.000 0.077 0.000 1.259 336 I HN 0.378 nan 8.210 nan 0.000 0.423 337 V N 7.549 127.536 119.914 0.123 0.000 2.531 337 V HA 0.532 4.651 4.120 -0.001 0.000 0.301 337 V C -0.502 175.696 176.094 0.174 0.000 1.034 337 V CA -0.397 61.989 62.300 0.144 0.000 0.865 337 V CB 1.864 33.781 31.823 0.157 0.000 0.995 337 V HN 0.647 nan 8.190 nan 0.000 0.424 338 M N 6.347 126.059 119.600 0.187 0.000 2.106 338 M HA 0.573 5.052 4.480 -0.001 0.000 0.288 338 M C -1.387 174.991 176.300 0.129 0.000 0.941 338 M CA -0.137 55.279 55.300 0.194 0.000 0.934 338 M CB 1.818 34.587 32.600 0.281 0.000 1.551 338 M HN 0.375 nan 8.290 nan 0.000 0.437 339 L N 2.921 124.122 121.223 -0.038 0.000 2.333 339 L HA 0.956 5.296 4.340 -0.001 0.000 0.280 339 L C -0.322 176.379 176.870 -0.281 0.000 1.004 339 L CA -0.671 54.005 54.840 -0.273 0.000 0.820 339 L CB 1.715 43.301 42.059 -0.789 0.000 1.247 339 L HN 0.767 nan 8.230 nan 0.000 0.416 340 A N 2.124 125.029 122.820 0.142 0.000 2.454 340 A HA 0.578 4.897 4.320 -0.001 0.000 0.302 340 A C -0.275 177.636 177.584 0.545 0.000 1.079 340 A CA -0.745 51.524 52.037 0.387 0.000 0.731 340 A CB 1.277 20.524 19.000 0.412 0.000 1.299 340 A HN 0.751 nan 8.150 nan 0.000 0.413 341 N N 0.740 119.688 118.700 0.413 0.000 2.575 341 N HA 0.216 4.955 4.740 -0.001 0.000 0.275 341 N C -0.535 174.926 175.510 -0.081 0.000 1.202 341 N CA 0.131 53.132 53.050 -0.082 0.000 0.945 341 N CB 0.771 39.175 38.487 -0.138 0.000 1.247 341 N HN 0.471 nan 8.380 nan 0.000 0.510 342 T N -1.234 113.382 114.554 0.102 0.000 3.159 342 T HA 0.211 4.560 4.350 -0.001 0.000 0.343 342 T C -1.738 173.130 174.700 0.280 0.000 1.364 342 T CA -0.562 61.633 62.100 0.158 0.000 1.102 342 T CB 1.085 70.056 68.868 0.173 0.000 1.263 342 T HN 0.061 nan 8.240 nan 0.000 0.477 343 S N 4.109 119.938 115.700 0.216 0.000 2.485 343 S HA 0.515 4.984 4.470 -0.001 0.000 0.312 343 S C -0.440 174.274 174.600 0.189 0.000 1.102 343 S CA -0.645 57.663 58.200 0.180 0.000 1.066 343 S CB -0.851 62.423 63.200 0.123 0.000 1.102 343 S HN 0.523 nan 8.310 nan 0.000 0.519 344 Y N 2.693 123.032 120.300 0.065 0.000 2.496 344 Y HA 0.762 5.311 4.550 -0.001 0.000 0.331 344 Y C -2.764 173.151 175.900 0.026 0.000 1.140 344 Y CA -3.742 54.382 58.100 0.040 0.000 1.166 344 Y CB -1.046 37.435 38.460 0.035 0.000 1.249 344 Y HN 0.317 nan 8.280 nan 0.000 0.479 345 P HA -0.066 nan 4.420 nan 0.000 0.259 345 P C 0.188 177.382 177.300 -0.176 0.000 1.163 345 P CA 0.545 63.613 63.100 -0.055 0.000 0.760 345 P CB 0.650 32.364 31.700 0.025 0.000 0.762 346 N N 4.957 123.549 118.700 -0.180 0.000 2.061 346 N HA -0.143 4.597 4.740 -0.001 0.000 0.193 346 N C -0.811 174.584 175.510 -0.191 0.000 1.030 346 N CA 1.839 54.760 53.050 -0.215 0.000 0.856 346 N CB -1.816 36.575 38.487 -0.160 0.000 1.023 346 N HN 0.437 nan 8.380 nan 0.000 0.424 347 P HA -0.111 nan 4.420 nan 0.000 0.216 347 P C 1.056 178.306 177.300 -0.083 0.000 1.153 347 P CA 1.809 64.851 63.100 -0.097 0.000 0.858 347 P CB -0.105 31.558 31.700 -0.061 0.000 0.789 348 A N -0.442 122.362 122.820 -0.027 0.000 2.019 348 A HA -0.203 4.117 4.320 -0.001 0.000 0.219 348 A C 2.166 179.793 177.584 0.071 0.000 1.164 348 A CA 1.355 53.425 52.037 0.055 0.000 0.644 348 A CB -0.874 18.236 19.000 0.183 0.000 0.805 348 A HN 0.129 nan 8.150 nan 0.000 0.449 349 R N -0.778 119.700 120.500 -0.037 0.000 2.062 349 R HA -0.028 4.312 4.340 -0.001 0.000 0.229 349 R C 1.964 178.128 176.300 -0.227 0.000 1.128 349 R CA 1.355 57.406 56.100 -0.083 0.000 0.960 349 R CB -0.587 29.526 30.300 -0.312 0.000 0.855 349 R HN 0.359 nan 8.270 nan 0.000 0.432 350 V N 1.549 121.234 119.914 -0.382 0.000 2.427 350 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 350 V C 2.342 178.431 176.094 -0.010 0.000 1.051 350 V CA 1.988 64.121 62.300 -0.278 0.000 1.048 350 V CB -0.475 31.243 31.823 -0.174 0.000 0.666 350 V HN 0.393 nan 8.190 nan 0.000 0.456 351 E N 0.537 120.675 120.200 -0.103 0.000 2.072 351 E HA -0.204 4.145 4.350 -0.001 0.000 0.191 351 E C 2.207 178.621 176.600 -0.311 0.000 0.985 351 E CA 1.361 57.623 56.400 -0.231 0.000 0.801 351 E CB -0.263 29.299 29.700 -0.230 0.000 0.750 351 E HN 0.548 nan 8.360 nan 0.000 0.452 352 A N 1.112 123.881 122.820 -0.085 0.000 1.902 352 A HA -0.075 4.244 4.320 -0.001 0.000 0.217 352 A C 2.407 180.083 177.584 0.154 0.000 1.181 352 A CA 1.774 53.834 52.037 0.037 0.000 0.623 352 A CB -0.810 18.251 19.000 0.101 0.000 0.818 352 A HN 0.427 nan 8.150 nan 0.000 0.443 353 A N -1.833 121.134 122.820 0.244 0.000 1.930 353 A HA -0.067 4.252 4.320 -0.001 0.000 0.217 353 A C 2.132 179.974 177.584 0.430 0.000 1.175 353 A CA 1.560 53.821 52.037 0.373 0.000 0.627 353 A CB -0.725 18.639 19.000 0.607 0.000 0.815 353 A HN 0.674 nan 8.150 nan 0.000 0.443 354 Y N 0.132 120.643 120.300 0.351 0.000 2.200 354 Y HA -0.223 4.326 4.550 -0.001 0.000 0.290 354 Y C 2.375 178.471 175.900 0.327 0.000 1.137 354 Y CA 2.152 60.486 58.100 0.390 0.000 1.163 354 Y CB -0.513 38.047 38.460 0.167 0.000 0.988 354 Y HN 0.566 nan 8.280 nan 0.000 0.518 355 H N -0.767 118.526 119.070 0.371 0.000 2.290 355 H HA -0.208 4.347 4.556 -0.001 0.000 0.298 355 H C 2.314 177.716 175.328 0.123 0.000 1.087 355 H CA 1.651 57.836 56.048 0.229 0.000 1.291 355 H CB -0.187 29.677 29.762 0.170 0.000 1.369 355 H HN 0.305 nan 8.280 nan 0.000 0.492 356 I N 0.787 121.508 120.570 0.252 0.000 2.179 356 I HA -0.278 3.891 4.170 -0.001 0.000 0.242 356 I C 2.108 178.265 176.117 0.067 0.000 1.088 356 I CA 1.096 62.472 61.300 0.126 0.000 1.357 356 I CB -0.192 37.877 38.000 0.114 0.000 1.051 356 I HN 0.250 nan 8.210 nan 0.000 0.409 357 L N 0.269 121.537 121.223 0.074 0.000 2.275 357 L HA -0.188 4.151 4.340 -0.001 0.000 0.215 357 L C 2.448 179.307 176.870 -0.018 0.000 1.119 357 L CA 1.010 55.850 54.840 -0.001 0.000 0.790 357 L CB -0.540 41.504 42.059 -0.025 0.000 0.919 357 L HN 0.326 nan 8.230 nan 0.000 0.443 358 E N 0.791 120.994 120.200 0.004 0.000 2.150 358 E HA -0.191 4.158 4.350 -0.001 0.000 0.193 358 E C 2.048 178.675 176.600 0.045 0.000 0.985 358 E CA 1.027 57.446 56.400 0.031 0.000 0.814 358 E CB 0.064 29.824 29.700 0.100 0.000 0.752 358 E HN 0.443 nan 8.360 nan 0.000 0.466 359 A N 0.367 123.200 122.820 0.023 0.000 2.235 359 A HA 0.154 4.473 4.320 -0.001 0.000 0.208 359 A C 0.693 178.254 177.584 -0.038 0.000 1.172 359 A CA 0.186 52.218 52.037 -0.008 0.000 0.786 359 A CB -0.110 18.871 19.000 -0.031 0.000 0.804 359 A HN 0.153 nan 8.150 nan 0.000 0.479 360 L N 0.000 121.211 121.223 -0.020 0.000 2.949 360 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 360 L CA 0.000 54.849 54.840 0.015 0.000 0.813 360 L CB 0.000 42.054 42.059 -0.009 0.000 0.961 360 L HN 0.000 nan 8.230 nan 0.000 0.502