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 2ca0_1_B DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGDEVW LVVGYDRARA DATA SEQUENCE VLADPRFSKD WRNSTTPLTE AEAALNHNML ESDPPRHTRL RKLVAREFTM DATA SEQUENCE RRVELLRPRV QEIVDGLVDA MLAAPDGRAD LMESLAWPLP ITVISELLGV DATA SEQUENCE PEPDRAAFRV WTDAFVFPDD PAQAQTAMAE MSGYLSRLID SKRGQDGEDL DATA SEQUENCE LSALVRTSDE DGSRLTSEEL LGMAHILLVA GHETTVNLIA NGMYALLSHP DATA SEQUENCE DQLAALRADM TLLDGAVEEM LRYEGPVESA TYRFPVEPVD LDGTVIPAGD DATA SEQUENCE TVLVVLADAH RTPERFPDPH RFDIRRDTAG HLAFGHGIHF CIGAPLARLE DATA SEQUENCE ARIAVRALLE RCPDLALDVS PGELVWYPNP MIRGLKALPI RWR 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 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.036 176.094 -0.096 0.000 1.182 14 V CA 0.000 62.230 62.300 -0.116 0.000 1.235 14 V CB 0.000 31.759 31.823 -0.106 0.000 1.184 15 L N 1.631 122.792 121.223 -0.103 0.000 2.949 15 L HA 0.537 4.877 4.340 0.000 0.000 0.258 15 L C -1.163 175.635 176.870 -0.120 0.000 0.941 15 L CA 0.053 54.832 54.840 -0.102 0.000 1.053 15 L CB 1.489 43.486 42.059 -0.102 0.000 1.550 15 L HN 0.841 nan 8.230 nan 0.000 0.493 16 D N 3.771 124.104 120.400 -0.111 0.000 2.414 16 D HA 0.224 4.865 4.640 0.000 0.000 0.242 16 D C 0.586 176.777 176.300 -0.182 0.000 1.129 16 D CA 0.173 54.100 54.000 -0.121 0.000 0.885 16 D CB 1.305 42.052 40.800 -0.089 0.000 1.198 16 D HN 0.773 nan 8.370 nan 0.000 0.437 17 L N 2.523 123.603 121.223 -0.237 0.000 2.575 17 L HA 0.221 4.561 4.340 0.000 0.000 0.228 17 L C 2.321 179.006 176.870 -0.309 0.000 1.075 17 L CA 0.180 54.763 54.840 -0.428 0.000 0.867 17 L CB 0.279 41.965 42.059 -0.623 0.000 1.097 17 L HN 0.498 nan 8.230 nan 0.000 0.485 18 G N -0.030 108.673 108.800 -0.163 0.000 2.511 18 G HA2 -0.095 3.865 3.960 0.000 0.000 0.217 18 G HA3 -0.095 3.865 3.960 0.000 0.000 0.217 18 G C 1.707 176.573 174.900 -0.056 0.000 1.133 18 G CA 0.771 45.824 45.100 -0.078 0.000 0.792 18 G HN 0.362 nan 8.290 nan 0.000 0.539 19 A N 0.938 123.713 122.820 -0.075 0.000 1.930 19 A HA 0.124 4.444 4.320 0.000 0.000 0.217 19 A C 2.287 179.850 177.584 -0.036 0.000 1.175 19 A CA 0.973 52.980 52.037 -0.050 0.000 0.627 19 A CB -0.312 18.653 19.000 -0.057 0.000 0.815 19 A HN 0.356 nan 8.150 nan 0.000 0.443 20 L N -0.980 120.211 121.223 -0.053 0.000 2.376 20 L HA 0.164 4.504 4.340 0.000 0.000 0.219 20 L C 1.672 178.570 176.870 0.047 0.000 1.133 20 L CA 0.262 55.099 54.840 -0.006 0.000 0.816 20 L CB -1.514 40.541 42.059 -0.006 0.000 0.933 20 L HN 0.602 nan 8.230 nan 0.000 0.449 21 G N 0.769 109.597 108.800 0.047 0.000 2.601 21 G HA2 -0.466 3.494 3.960 0.000 0.000 0.261 21 G HA3 -0.466 3.494 3.960 0.000 0.000 0.261 21 G C 0.470 175.449 174.900 0.132 0.000 1.289 21 G CA 0.650 45.796 45.100 0.077 0.000 0.920 21 G HN 0.345 nan 8.290 nan 0.000 0.571 22 Q N -0.572 119.294 119.800 0.110 0.000 2.248 22 Q HA -0.125 4.215 4.340 0.000 0.000 0.208 22 Q C 2.005 178.058 176.000 0.089 0.000 0.984 22 Q CA 2.729 58.604 55.803 0.120 0.000 0.875 22 Q CB -0.305 28.496 28.738 0.104 0.000 0.910 22 Q HN 0.637 nan 8.270 nan 0.000 0.433 23 D N -0.406 120.038 120.400 0.073 0.000 2.126 23 D HA -0.211 4.429 4.640 0.000 0.000 0.190 23 D C 1.527 177.835 176.300 0.013 0.000 1.001 23 D CA 1.635 55.657 54.000 0.036 0.000 0.841 23 D CB -0.445 40.378 40.800 0.038 0.000 0.949 23 D HN 0.422 nan 8.370 nan 0.000 0.446 24 F N 1.675 121.579 119.950 -0.078 0.000 2.134 24 F HA -0.141 4.386 4.527 0.000 0.000 0.299 24 F C 2.210 177.924 175.800 -0.144 0.000 1.097 24 F CA 1.634 59.554 58.000 -0.133 0.000 1.264 24 F CB -0.380 38.548 39.000 -0.119 0.000 1.001 24 F HN -0.060 nan 8.300 nan 0.000 0.479 25 A N 1.071 123.859 122.820 -0.054 0.000 1.870 25 A HA -0.273 4.047 4.320 0.000 0.000 0.219 25 A C 2.470 179.839 177.584 -0.359 0.000 1.224 25 A CA 2.933 54.901 52.037 -0.115 0.000 0.650 25 A CB -1.795 17.297 19.000 0.153 0.000 0.836 25 A HN 0.624 nan 8.150 nan 0.000 0.454 26 A N -1.614 121.023 122.820 -0.304 0.000 1.897 26 A HA 0.020 4.340 4.320 0.000 0.000 0.215 26 A C 1.332 178.562 177.584 -0.590 0.000 1.181 26 A CA 1.875 53.504 52.037 -0.680 0.000 0.620 26 A CB -0.269 18.542 19.000 -0.315 0.000 0.821 26 A HN 0.484 nan 8.150 nan 0.000 0.443 27 D N -1.571 118.602 120.400 -0.379 0.000 2.943 27 D HA 0.229 4.869 4.640 0.000 0.000 0.347 27 D C -1.961 174.126 176.300 -0.356 0.000 1.305 27 D CA -1.415 52.441 54.000 -0.241 0.000 0.870 27 D CB 0.793 41.516 40.800 -0.128 0.000 1.081 27 D HN 0.190 nan 8.370 nan 0.000 0.492 28 P HA -0.087 nan 4.420 nan 0.000 0.245 28 P C 0.659 177.403 177.300 -0.928 0.000 1.212 28 P CA 0.332 62.772 63.100 -1.101 0.000 0.774 28 P CB 0.030 30.673 31.700 -1.762 0.000 0.999 29 Y N 1.226 121.319 120.300 -0.345 0.000 2.153 29 Y HA -0.038 4.512 4.550 0.000 0.000 0.289 29 Y C -0.068 175.820 175.900 -0.019 0.000 1.127 29 Y CA 1.505 59.575 58.100 -0.051 0.000 1.131 29 Y CB -2.413 36.075 38.460 0.048 0.000 0.995 29 Y HN 0.131 nan 8.280 nan 0.000 0.505 30 P HA -0.152 nan 4.420 nan 0.000 0.215 30 P C 1.467 178.778 177.300 0.019 0.000 1.157 30 P CA 2.530 65.660 63.100 0.050 0.000 0.868 30 P CB -0.210 31.488 31.700 -0.004 0.000 0.788 31 T N -1.802 112.706 114.554 -0.078 0.000 2.778 31 T HA -0.228 4.122 4.350 0.000 0.000 0.269 31 T C 1.554 176.254 174.700 -0.001 0.000 1.050 31 T CA 1.509 63.560 62.100 -0.080 0.000 1.137 31 T CB -1.188 67.606 68.868 -0.123 0.000 0.860 31 T HN 0.268 nan 8.240 nan 0.000 0.468 32 Y N 0.875 121.225 120.300 0.084 0.000 2.337 32 Y HA 0.127 4.677 4.550 0.000 0.000 0.293 32 Y C 2.871 178.829 175.900 0.096 0.000 1.123 32 Y CA 0.116 58.270 58.100 0.091 0.000 1.201 32 Y CB -0.269 38.244 38.460 0.089 0.000 1.011 32 Y HN 0.206 nan 8.280 nan 0.000 0.545 33 A N 1.122 124.089 122.820 0.246 0.000 1.902 33 A HA -0.211 4.109 4.320 0.000 0.000 0.217 33 A C 2.371 180.028 177.584 0.120 0.000 1.181 33 A CA 2.069 54.215 52.037 0.183 0.000 0.623 33 A CB -1.151 17.946 19.000 0.161 0.000 0.818 33 A HN 0.420 nan 8.150 nan 0.000 0.443 34 R N 0.024 120.570 120.500 0.077 0.000 2.088 34 R HA -0.041 4.300 4.340 0.000 0.000 0.232 34 R C 2.200 178.502 176.300 0.003 0.000 1.136 34 R CA 1.753 57.869 56.100 0.028 0.000 0.926 34 R CB -1.742 28.555 30.300 -0.005 0.000 0.837 34 R HN 0.558 nan 8.270 nan 0.000 0.429 35 L N 0.077 121.273 121.223 -0.044 0.000 2.021 35 L HA -0.250 4.090 4.340 0.000 0.000 0.215 35 L C 3.073 180.012 176.870 0.115 0.000 1.074 35 L CA 2.188 56.889 54.840 -0.231 0.000 0.760 35 L CB -0.453 41.513 42.059 -0.156 0.000 0.889 35 L HN 0.449 nan 8.230 nan 0.000 0.433 36 R N 0.191 120.811 120.500 0.199 0.000 2.115 36 R HA -0.130 4.210 4.340 0.000 0.000 0.230 36 R C 2.186 178.591 176.300 0.174 0.000 1.111 36 R CA 1.241 57.478 56.100 0.229 0.000 0.976 36 R CB -0.119 30.295 30.300 0.190 0.000 0.870 36 R HN 0.380 nan 8.270 nan 0.000 0.445 37 A N 0.778 123.674 122.820 0.125 0.000 2.066 37 A HA -0.053 4.267 4.320 0.000 0.000 0.218 37 A C 1.422 179.065 177.584 0.098 0.000 1.157 37 A CA 0.629 52.724 52.037 0.097 0.000 0.670 37 A CB -0.080 18.963 19.000 0.071 0.000 0.804 37 A HN 0.298 nan 8.150 nan 0.000 0.453 38 E N 0.104 120.368 120.200 0.106 0.000 3.541 38 E HA 0.174 4.524 4.350 0.000 0.000 0.521 38 E C 1.241 177.973 176.600 0.220 0.000 0.390 38 E CA 0.655 57.133 56.400 0.130 0.000 3.173 38 E CB -0.675 29.058 29.700 0.057 0.000 2.100 38 E HN 0.366 nan 8.360 nan 0.000 0.407 39 G N 0.134 109.177 108.800 0.405 0.000 2.736 39 G HA2 0.222 4.182 3.960 0.000 0.000 0.229 39 G HA3 0.222 4.182 3.960 0.000 0.000 0.229 39 G C -2.000 172.999 174.900 0.165 0.000 1.380 39 G CA -0.416 44.828 45.100 0.241 0.000 1.040 39 G HN 0.187 nan 8.290 nan 0.000 0.568 40 P HA 0.225 nan 4.420 nan 0.000 0.218 40 P C 0.387 177.549 177.300 -0.230 0.000 1.151 40 P CA 0.901 63.974 63.100 -0.046 0.000 0.850 40 P CB 0.725 32.417 31.700 -0.013 0.000 0.801 41 A N -0.019 122.581 122.820 -0.368 0.000 2.354 41 A HA 0.760 5.080 4.320 0.000 0.000 0.321 41 A C -0.717 176.529 177.584 -0.564 0.000 1.125 41 A CA -0.470 51.404 52.037 -0.272 0.000 0.799 41 A CB 0.975 20.013 19.000 0.063 0.000 1.293 41 A HN 0.145 nan 8.150 nan 0.000 0.452 42 H N 0.095 119.395 119.070 0.383 0.000 3.037 42 H HA 0.403 4.959 4.556 0.000 0.000 0.355 42 H C -1.205 173.968 175.328 -0.257 0.000 1.263 42 H CA -0.718 55.380 56.048 0.083 0.000 1.129 42 H CB 1.465 31.252 29.762 0.043 0.000 1.861 42 H HN 0.703 nan 8.280 nan 0.000 0.546 43 R N 1.861 122.020 120.500 -0.570 0.000 2.310 43 R HA 0.461 4.801 4.340 0.000 0.000 0.324 43 R C -0.468 175.612 176.300 -0.366 0.000 0.955 43 R CA -0.623 54.957 56.100 -0.866 0.000 0.830 43 R CB 0.948 30.461 30.300 -1.311 0.000 1.154 43 R HN 0.441 nan 8.270 nan 0.000 0.458 44 V N 1.038 120.816 119.914 -0.226 0.000 3.019 44 V HA 0.641 4.761 4.120 0.000 0.000 0.317 44 V C -0.399 175.624 176.094 -0.119 0.000 1.094 44 V CA -1.225 60.995 62.300 -0.133 0.000 1.000 44 V CB 1.967 33.749 31.823 -0.068 0.000 1.060 44 V HN 0.673 nan 8.190 nan 0.000 0.443 45 R N 1.843 122.279 120.500 -0.106 0.000 2.239 45 R HA 0.495 4.835 4.340 0.000 0.000 0.332 45 R C 0.446 176.698 176.300 -0.080 0.000 0.988 45 R CA 0.122 56.175 56.100 -0.080 0.000 0.859 45 R CB 0.895 31.148 30.300 -0.077 0.000 1.148 45 R HN 1.160 nan 8.270 nan 0.000 0.482 46 T N 1.242 115.772 114.554 -0.040 0.000 2.724 46 T HA 0.086 4.436 4.350 0.000 0.000 0.324 46 T C -1.682 172.988 174.700 -0.051 0.000 1.071 46 T CA -1.074 61.002 62.100 -0.038 0.000 1.061 46 T CB 0.657 69.551 68.868 0.043 0.000 0.990 46 T HN 0.329 nan 8.240 nan 0.000 0.543 47 P HA 0.069 nan 4.420 nan 0.000 0.229 47 P C 0.960 178.263 177.300 0.004 0.000 1.160 47 P CA 0.602 63.681 63.100 -0.035 0.000 0.777 47 P CB 0.057 31.746 31.700 -0.018 0.000 0.814 48 E N -1.203 119.012 120.200 0.026 0.000 2.299 48 E HA 0.206 4.556 4.350 0.000 0.000 0.193 48 E C 1.447 178.064 176.600 0.028 0.000 0.998 48 E CA 0.882 57.305 56.400 0.038 0.000 0.851 48 E CB -0.680 29.058 29.700 0.065 0.000 0.795 48 E HN 0.149 nan 8.360 nan 0.000 0.492 49 G N 0.555 109.367 108.800 0.021 0.000 2.145 49 G HA2 -0.160 3.801 3.960 0.000 0.000 0.145 49 G HA3 -0.160 3.801 3.960 0.000 0.000 0.145 49 G C -0.841 174.073 174.900 0.024 0.000 1.017 49 G CA -0.324 44.783 45.100 0.012 0.000 0.682 49 G HN 0.135 nan 8.290 nan 0.000 0.504 50 D N 1.696 122.122 120.400 0.044 0.000 2.359 50 D HA 0.513 5.153 4.640 0.000 0.000 0.230 50 D C 0.637 176.961 176.300 0.041 0.000 1.118 50 D CA 0.605 54.642 54.000 0.063 0.000 0.844 50 D CB 1.106 41.985 40.800 0.132 0.000 1.059 50 D HN 0.636 nan 8.370 nan 0.000 0.493 51 E N 2.053 122.263 120.200 0.016 0.000 2.159 51 E HA 0.400 4.750 4.350 0.000 0.000 0.272 51 E C 0.249 176.855 176.600 0.011 0.000 1.138 51 E CA -0.474 55.917 56.400 -0.014 0.000 0.915 51 E CB 0.472 30.158 29.700 -0.023 0.000 1.028 51 E HN 0.385 nan 8.360 nan 0.000 0.423 52 V N -1.587 118.332 119.914 0.007 0.000 3.139 52 V HA 0.929 5.049 4.120 0.000 0.000 0.310 52 V C -1.031 175.072 176.094 0.015 0.000 1.260 52 V CA -1.506 60.858 62.300 0.105 0.000 1.064 52 V CB 1.435 33.375 31.823 0.196 0.000 1.160 52 V HN 0.698 nan 8.190 nan 0.000 0.470 53 W N 0.079 121.423 121.300 0.072 0.000 2.736 53 W HA 0.831 5.491 4.660 0.000 0.000 0.335 53 W C -0.948 175.617 176.519 0.077 0.000 1.059 53 W CA -0.561 56.828 57.345 0.073 0.000 1.226 53 W CB 1.878 31.374 29.460 0.060 0.000 1.416 53 W HN 0.513 nan 8.180 nan 0.000 0.505 54 L N 4.023 125.427 121.223 0.301 0.000 2.316 54 L HA 0.441 4.781 4.340 0.000 0.000 0.280 54 L C -0.373 176.595 176.870 0.163 0.000 1.006 54 L CA -1.176 53.783 54.840 0.198 0.000 0.836 54 L CB 0.897 43.073 42.059 0.194 0.000 1.221 54 L HN 0.036 nan 8.230 nan 0.000 0.418 55 V N 4.730 124.689 119.914 0.074 0.000 2.370 55 V HA 0.107 4.228 4.120 0.000 0.000 0.257 55 V C 0.610 176.690 176.094 -0.024 0.000 1.064 55 V CA -0.399 61.907 62.300 0.010 0.000 0.975 55 V CB 0.976 32.756 31.823 -0.072 0.000 1.067 55 V HN 0.565 nan 8.190 nan 0.000 0.485 56 V N 2.343 122.276 119.914 0.031 0.000 3.109 56 V HA 1.071 5.191 4.120 0.000 0.000 0.317 56 V C 0.430 176.552 176.094 0.047 0.000 1.074 56 V CA -0.172 62.144 62.300 0.026 0.000 1.033 56 V CB 1.168 33.066 31.823 0.125 0.000 1.111 56 V HN 1.498 nan 8.190 nan 0.000 0.458 57 G N 0.319 109.165 108.800 0.076 0.000 3.322 57 G HA2 -0.213 3.747 3.960 0.000 0.000 0.686 57 G HA3 -0.213 3.747 3.960 0.000 0.000 0.686 57 G C -0.648 174.329 174.900 0.127 0.000 1.015 57 G CA 0.247 45.416 45.100 0.114 0.000 0.826 57 G HN 1.821 nan 8.290 nan 0.000 0.538 58 Y N 1.800 122.140 120.300 0.067 0.000 2.014 58 Y HA -0.237 4.314 4.550 0.000 0.000 0.270 58 Y C 2.527 178.440 175.900 0.023 0.000 1.145 58 Y CA 2.739 60.884 58.100 0.076 0.000 1.106 58 Y CB -0.130 38.409 38.460 0.132 0.000 0.968 58 Y HN 0.677 nan 8.280 nan 0.000 0.484 59 D N -0.229 120.260 120.400 0.147 0.000 2.160 59 D HA -0.282 4.358 4.640 0.000 0.000 0.189 59 D C 2.246 178.478 176.300 -0.114 0.000 1.003 59 D CA 2.122 56.115 54.000 -0.012 0.000 0.846 59 D CB -0.407 40.444 40.800 0.084 0.000 0.949 59 D HN 0.196 nan 8.370 nan 0.000 0.446 60 R N 0.947 121.412 120.500 -0.059 0.000 2.083 60 R HA -0.065 4.275 4.340 0.000 0.000 0.237 60 R C 2.172 178.376 176.300 -0.159 0.000 1.137 60 R CA 1.693 57.742 56.100 -0.086 0.000 0.951 60 R CB -0.993 29.278 30.300 -0.048 0.000 0.851 60 R HN 0.170 nan 8.270 nan 0.000 0.434 61 A N 0.273 122.992 122.820 -0.169 0.000 1.908 61 A HA -0.214 4.106 4.320 0.000 0.000 0.218 61 A C 2.212 179.636 177.584 -0.267 0.000 1.181 61 A CA 1.811 53.722 52.037 -0.211 0.000 0.627 61 A CB -0.605 18.297 19.000 -0.163 0.000 0.818 61 A HN 0.392 nan 8.150 nan 0.000 0.445 62 R N -0.501 119.762 120.500 -0.394 0.000 2.159 62 R HA -0.094 4.246 4.340 0.000 0.000 0.237 62 R C 1.993 178.177 176.300 -0.194 0.000 1.131 62 R CA 1.443 57.286 56.100 -0.430 0.000 0.982 62 R CB -0.301 29.596 30.300 -0.671 0.000 0.868 62 R HN 0.462 nan 8.270 nan 0.000 0.453 63 A N -0.323 122.392 122.820 -0.176 0.000 2.030 63 A HA 0.068 4.388 4.320 0.000 0.000 0.215 63 A C 2.028 179.507 177.584 -0.175 0.000 1.164 63 A CA 0.618 52.590 52.037 -0.109 0.000 0.697 63 A CB 0.047 18.992 19.000 -0.091 0.000 0.827 63 A HN 0.171 nan 8.150 nan 0.000 0.457 64 V N 0.565 120.294 119.914 -0.309 0.000 2.229 64 V HA -0.264 3.856 4.120 0.000 0.000 0.243 64 V C 2.455 178.308 176.094 -0.402 0.000 1.042 64 V CA 1.918 63.849 62.300 -0.615 0.000 1.000 64 V CB -1.303 30.104 31.823 -0.694 0.000 0.637 64 V HN 0.541 nan 8.190 nan 0.000 0.446 65 L N 0.366 121.449 121.223 -0.235 0.000 2.103 65 L HA -0.270 4.070 4.340 0.000 0.000 0.215 65 L C 2.496 179.363 176.870 -0.006 0.000 1.080 65 L CA 1.888 56.675 54.840 -0.087 0.000 0.764 65 L CB -0.706 41.359 42.059 0.010 0.000 0.890 65 L HN 0.458 nan 8.230 nan 0.000 0.435 66 A N -2.180 120.658 122.820 0.029 0.000 2.115 66 A HA -0.023 4.298 4.320 0.000 0.000 0.211 66 A C 0.923 178.503 177.584 -0.007 0.000 1.169 66 A CA -0.141 51.895 52.037 -0.001 0.000 0.787 66 A CB -0.079 18.954 19.000 0.055 0.000 0.858 66 A HN 0.234 nan 8.150 nan 0.000 0.474 67 D N 0.303 120.700 120.400 -0.006 0.000 2.458 67 D HA 0.134 4.774 4.640 0.000 0.000 0.243 67 D C -1.575 174.785 176.300 0.101 0.000 1.146 67 D CA -1.258 52.770 54.000 0.048 0.000 0.877 67 D CB 1.315 42.157 40.800 0.071 0.000 1.176 67 D HN 0.016 nan 8.370 nan 0.000 0.461 68 P HA -0.082 nan 4.420 nan 0.000 0.214 68 P C 1.294 178.660 177.300 0.110 0.000 1.162 68 P CA 0.920 64.067 63.100 0.078 0.000 0.879 68 P CB 0.226 31.954 31.700 0.046 0.000 0.786 69 R N -1.147 119.421 120.500 0.113 0.000 2.196 69 R HA -0.186 4.154 4.340 0.000 0.000 0.259 69 R C 0.292 176.592 176.300 -0.000 0.000 1.154 69 R CA 1.145 57.275 56.100 0.051 0.000 0.976 69 R CB -1.417 28.916 30.300 0.056 0.000 0.888 69 R HN 0.254 nan 8.270 nan 0.000 0.453 70 F N 1.109 121.033 119.950 -0.043 0.000 2.413 70 F HA 0.150 4.677 4.527 0.000 0.000 0.359 70 F C 0.839 176.610 175.800 -0.048 0.000 1.122 70 F CA -0.392 57.569 58.000 -0.064 0.000 1.160 70 F CB 1.095 40.035 39.000 -0.100 0.000 1.146 70 F HN -0.142 nan 8.300 nan 0.000 0.514 71 S N 2.921 118.682 115.700 0.101 0.000 2.610 71 S HA 0.340 4.811 4.470 0.000 0.000 0.273 71 S C 0.845 175.511 174.600 0.110 0.000 1.274 71 S CA -0.539 57.735 58.200 0.123 0.000 1.023 71 S CB 0.909 64.196 63.200 0.145 0.000 0.962 71 S HN 0.743 nan 8.310 nan 0.000 0.523 72 K N 1.022 121.476 120.400 0.089 0.000 2.402 72 K HA 0.152 4.472 4.320 0.000 0.000 0.203 72 K C -0.317 176.404 176.600 0.202 0.000 1.077 72 K CA -0.224 56.069 56.287 0.010 0.000 1.051 72 K CB 0.288 32.665 32.500 -0.205 0.000 0.907 72 K HN 0.614 nan 8.250 nan 0.000 0.554 73 D N -0.019 120.502 120.400 0.202 0.000 2.339 73 D HA -0.034 4.606 4.640 0.000 0.000 0.256 73 D C 0.387 176.729 176.300 0.069 0.000 1.214 73 D CA -0.164 53.935 54.000 0.165 0.000 0.877 73 D CB 0.480 41.356 40.800 0.128 0.000 1.111 73 D HN 0.068 nan 8.370 nan 0.000 0.478 74 W N 3.414 124.689 121.300 -0.042 0.000 2.341 74 W HA -0.152 4.508 4.660 0.000 0.000 0.283 74 W C 2.384 178.678 176.519 -0.374 0.000 1.215 74 W CA 0.347 57.482 57.345 -0.351 0.000 1.211 74 W CB -0.083 29.252 29.460 -0.207 0.000 1.131 74 W HN 0.456 nan 8.180 nan 0.000 0.552 75 R N 0.010 120.520 120.500 0.017 0.000 2.261 75 R HA -0.170 4.170 4.340 0.000 0.000 0.236 75 R C 1.343 177.587 176.300 -0.092 0.000 1.141 75 R CA 1.219 57.306 56.100 -0.022 0.000 1.001 75 R CB -0.356 29.953 30.300 0.015 0.000 0.866 75 R HN 0.259 nan 8.270 nan 0.000 0.468 76 N N -0.586 118.009 118.700 -0.175 0.000 2.325 76 N HA -0.013 4.727 4.740 0.000 0.000 0.182 76 N C 0.325 175.649 175.510 -0.310 0.000 1.088 76 N CA 0.178 53.127 53.050 -0.169 0.000 0.879 76 N CB 0.532 38.986 38.487 -0.056 0.000 0.983 76 N HN -0.040 nan 8.380 nan 0.000 0.471 77 S N 0.033 115.306 115.700 -0.711 0.000 2.603 77 S HA 0.156 4.627 4.470 0.000 0.000 0.268 77 S C 1.443 175.882 174.600 -0.268 0.000 1.317 77 S CA -0.157 57.593 58.200 -0.751 0.000 1.012 77 S CB 0.826 63.162 63.200 -1.440 0.000 0.926 77 S HN 0.404 nan 8.310 nan 0.000 0.539 78 T N -0.047 114.428 114.554 -0.131 0.000 3.037 78 T HA 0.151 4.501 4.350 0.000 0.000 0.252 78 T C 0.690 175.379 174.700 -0.017 0.000 1.073 78 T CA 0.051 62.117 62.100 -0.057 0.000 1.091 78 T CB -0.401 68.451 68.868 -0.027 0.000 0.935 78 T HN 0.520 nan 8.240 nan 0.000 0.488 79 T N 4.519 119.081 114.554 0.013 0.000 2.834 79 T HA 0.313 4.663 4.350 0.000 0.000 0.298 79 T C -2.076 172.679 174.700 0.092 0.000 0.966 79 T CA -0.782 61.361 62.100 0.073 0.000 1.141 79 T CB 1.075 70.030 68.868 0.144 0.000 0.905 79 T HN 0.207 nan 8.240 nan 0.000 0.535 80 P HA 0.429 nan 4.420 nan 0.000 0.333 80 P C -0.569 176.633 177.300 -0.162 0.000 1.343 80 P CA -0.520 62.549 63.100 -0.051 0.000 0.761 80 P CB 0.534 32.196 31.700 -0.063 0.000 1.701 81 L N -2.044 119.028 121.223 -0.251 0.000 2.393 81 L HA 0.455 4.795 4.340 0.000 0.000 0.260 81 L C 0.136 176.847 176.870 -0.265 0.000 1.002 81 L CA -0.859 53.735 54.840 -0.410 0.000 0.818 81 L CB 2.145 43.836 42.059 -0.612 0.000 1.369 81 L HN 0.310 nan 8.230 nan 0.000 0.412 82 T N -2.488 111.909 114.554 -0.261 0.000 2.913 82 T HA 0.334 4.685 4.350 0.000 0.000 0.287 82 T C 1.130 175.721 174.700 -0.182 0.000 1.008 82 T CA 0.203 62.194 62.100 -0.182 0.000 1.067 82 T CB 1.649 70.422 68.868 -0.158 0.000 0.996 82 T HN 0.778 nan 8.240 nan 0.000 0.513 83 E N 1.334 121.454 120.200 -0.134 0.000 2.233 83 E HA -0.085 4.265 4.350 0.000 0.000 0.199 83 E C 2.216 178.736 176.600 -0.134 0.000 1.004 83 E CA 2.025 58.355 56.400 -0.118 0.000 0.819 83 E CB -1.131 28.517 29.700 -0.086 0.000 0.738 83 E HN 0.989 nan 8.360 nan 0.000 0.478 84 A N 0.548 123.276 122.820 -0.154 0.000 1.861 84 A HA -0.030 4.290 4.320 0.000 0.000 0.212 84 A C 2.216 179.664 177.584 -0.227 0.000 1.199 84 A CA 1.408 53.339 52.037 -0.176 0.000 0.613 84 A CB -0.115 18.780 19.000 -0.174 0.000 0.846 84 A HN 0.543 nan 8.150 nan 0.000 0.446 85 E N 0.139 120.182 120.200 -0.261 0.000 2.007 85 E HA -0.107 4.243 4.350 0.000 0.000 0.194 85 E C 2.322 178.727 176.600 -0.325 0.000 0.999 85 E CA 0.981 57.188 56.400 -0.320 0.000 0.811 85 E CB -0.433 29.040 29.700 -0.379 0.000 0.762 85 E HN 0.528 nan 8.360 nan 0.000 0.450 86 A N 1.735 124.350 122.820 -0.340 0.000 1.954 86 A HA -0.312 4.008 4.320 0.000 0.000 0.222 86 A C 2.425 179.912 177.584 -0.163 0.000 1.199 86 A CA 2.274 54.135 52.037 -0.292 0.000 0.657 86 A CB -1.030 17.834 19.000 -0.228 0.000 0.823 86 A HN 0.343 nan 8.150 nan 0.000 0.463 87 A N -1.365 121.376 122.820 -0.132 0.000 2.125 87 A HA 0.111 4.431 4.320 0.000 0.000 0.219 87 A C 1.838 179.392 177.584 -0.049 0.000 1.156 87 A CA 1.504 53.502 52.037 -0.064 0.000 0.671 87 A CB -0.347 18.598 19.000 -0.092 0.000 0.794 87 A HN 0.536 nan 8.150 nan 0.000 0.459 88 L N -0.829 120.312 121.223 -0.137 0.000 2.858 88 L HA 0.088 4.428 4.340 0.000 0.000 0.251 88 L C 1.896 178.737 176.870 -0.049 0.000 1.149 88 L CA 0.369 55.117 54.840 -0.152 0.000 0.955 88 L CB -0.250 41.508 42.059 -0.502 0.000 1.289 88 L HN 0.547 nan 8.230 nan 0.000 0.542 89 N N 0.790 119.415 118.700 -0.125 0.000 2.513 89 N HA -0.224 4.516 4.740 0.000 0.000 0.187 89 N C 0.661 176.135 175.510 -0.061 0.000 1.056 89 N CA 0.883 53.863 53.050 -0.116 0.000 0.907 89 N CB -0.020 38.261 38.487 -0.343 0.000 0.954 89 N HN 0.449 nan 8.380 nan 0.000 0.445 90 H N 0.733 119.864 119.070 0.102 0.000 2.989 90 H HA 0.082 4.638 4.556 0.000 0.000 0.284 90 H C -0.069 175.351 175.328 0.153 0.000 1.440 90 H CA -0.006 56.114 56.048 0.120 0.000 1.209 90 H CB -0.545 29.261 29.762 0.074 0.000 1.453 90 H HN 0.592 nan 8.280 nan 0.000 0.550 91 N N -0.806 118.049 118.700 0.258 0.000 2.813 91 N HA 0.139 4.879 4.740 0.000 0.000 0.320 91 N C 1.435 177.080 175.510 0.225 0.000 1.315 91 N CA -0.792 52.398 53.050 0.234 0.000 0.871 91 N CB 0.636 39.261 38.487 0.231 0.000 1.241 91 N HN 0.026 nan 8.380 nan 0.000 0.602 92 M N -1.746 117.980 119.600 0.209 0.000 2.288 92 M HA 0.180 4.660 4.480 0.000 0.000 0.266 92 M C 1.262 177.783 176.300 0.369 0.000 1.072 92 M CA 0.962 56.430 55.300 0.280 0.000 1.132 92 M CB -0.280 32.448 32.600 0.212 0.000 1.386 92 M HN 0.436 nan 8.290 nan 0.000 0.432 93 L N 1.713 123.076 121.223 0.233 0.000 2.109 93 L HA 0.056 4.396 4.340 0.000 0.000 0.207 93 L C 1.078 177.960 176.870 0.019 0.000 1.086 93 L CA 1.760 56.667 54.840 0.112 0.000 0.760 93 L CB -0.499 41.593 42.059 0.055 0.000 0.910 93 L HN 0.360 nan 8.230 nan 0.000 0.437 94 E N 0.247 120.535 120.200 0.147 0.000 2.354 94 E HA 0.229 4.579 4.350 0.000 0.000 0.252 94 E C -0.466 176.261 176.600 0.213 0.000 1.330 94 E CA -0.015 56.496 56.400 0.186 0.000 1.658 94 E CB -0.126 29.798 29.700 0.373 0.000 1.460 94 E HN 0.477 nan 8.360 nan 0.000 0.435 95 S N -0.556 115.261 115.700 0.195 0.000 2.547 95 S HA 0.460 4.930 4.470 0.000 0.000 0.270 95 S C -1.063 173.695 174.600 0.263 0.000 1.150 95 S CA -1.211 57.128 58.200 0.232 0.000 0.850 95 S CB 2.164 65.520 63.200 0.260 0.000 1.118 95 S HN -0.079 nan 8.310 nan 0.000 0.461 96 D N 0.646 121.174 120.400 0.214 0.000 2.525 96 D HA 0.675 5.315 4.640 0.000 0.000 0.249 96 D C -2.843 173.565 176.300 0.179 0.000 1.072 96 D CA -1.688 52.419 54.000 0.178 0.000 1.067 96 D CB 0.558 41.437 40.800 0.131 0.000 1.282 96 D HN 0.236 nan 8.370 nan 0.000 0.587 97 P HA 0.134 nan 4.420 nan 0.000 0.271 97 P C -1.480 175.876 177.300 0.093 0.000 1.218 97 P CA -0.653 62.519 63.100 0.120 0.000 0.780 97 P CB 0.312 32.061 31.700 0.081 0.000 0.901 98 P HA -0.015 nan 4.420 nan 0.000 0.221 98 P C 1.469 178.827 177.300 0.095 0.000 1.155 98 P CA 0.713 63.860 63.100 0.078 0.000 0.812 98 P CB 0.263 31.996 31.700 0.054 0.000 0.801 99 R N 0.105 120.670 120.500 0.109 0.000 2.178 99 R HA -0.261 4.079 4.340 0.000 0.000 0.257 99 R C 2.443 178.830 176.300 0.146 0.000 1.163 99 R CA 1.870 58.043 56.100 0.122 0.000 0.981 99 R CB -1.019 29.369 30.300 0.145 0.000 0.878 99 R HN 0.372 nan 8.270 nan 0.000 0.454 100 H N -0.278 118.843 119.070 0.085 0.000 2.290 100 H HA -0.120 4.437 4.556 0.000 0.000 0.298 100 H C 1.506 176.863 175.328 0.048 0.000 1.087 100 H CA 2.469 58.566 56.048 0.082 0.000 1.291 100 H CB -0.077 29.712 29.762 0.046 0.000 1.369 100 H HN 0.352 nan 8.280 nan 0.000 0.492 101 T N 0.797 115.296 114.554 -0.092 0.000 2.622 101 T HA -0.223 4.127 4.350 0.000 0.000 0.266 101 T C 2.116 176.755 174.700 -0.102 0.000 1.047 101 T CA 1.539 63.549 62.100 -0.150 0.000 1.159 101 T CB -0.555 68.296 68.868 -0.028 0.000 0.863 101 T HN 0.364 nan 8.240 nan 0.000 0.422 102 R N 1.192 121.674 120.500 -0.030 0.000 2.143 102 R HA -0.166 4.174 4.340 0.000 0.000 0.239 102 R C 2.450 178.740 176.300 -0.017 0.000 1.126 102 R CA 1.878 57.972 56.100 -0.009 0.000 0.927 102 R CB -0.756 29.555 30.300 0.019 0.000 0.860 102 R HN 0.421 nan 8.270 nan 0.000 0.433 103 L N 0.039 121.256 121.223 -0.011 0.000 1.970 103 L HA -0.199 4.141 4.340 0.000 0.000 0.212 103 L C 2.996 179.849 176.870 -0.029 0.000 1.071 103 L CA 1.469 56.312 54.840 0.005 0.000 0.751 103 L CB -0.808 41.279 42.059 0.048 0.000 0.889 103 L HN 0.320 nan 8.230 nan 0.000 0.432 104 R N 1.038 121.460 120.500 -0.131 0.000 2.133 104 R HA -0.235 4.105 4.340 0.000 0.000 0.247 104 R C 2.457 178.726 176.300 -0.053 0.000 1.151 104 R CA 2.285 58.306 56.100 -0.131 0.000 0.971 104 R CB -0.424 29.669 30.300 -0.344 0.000 0.866 104 R HN 0.411 nan 8.270 nan 0.000 0.447 105 K N 0.386 120.749 120.400 -0.061 0.000 2.103 105 K HA -0.132 4.188 4.320 0.000 0.000 0.207 105 K C 2.226 178.827 176.600 0.002 0.000 1.048 105 K CA 1.592 57.864 56.287 -0.025 0.000 0.930 105 K CB -0.687 31.799 32.500 -0.025 0.000 0.716 105 K HN 0.069 nan 8.250 nan 0.000 0.444 106 L N 0.432 121.661 121.223 0.011 0.000 2.056 106 L HA -0.064 4.276 4.340 0.000 0.000 0.207 106 L C 2.513 179.409 176.870 0.043 0.000 1.078 106 L CA 1.819 56.674 54.840 0.025 0.000 0.749 106 L CB -0.109 41.970 42.059 0.033 0.000 0.901 106 L HN 0.432 nan 8.230 nan 0.000 0.433 107 V N -4.346 115.616 119.914 0.082 0.000 3.621 107 V HA 0.387 4.507 4.120 0.000 0.000 0.285 107 V C 2.054 178.265 176.094 0.194 0.000 1.346 107 V CA 0.508 62.898 62.300 0.151 0.000 1.104 107 V CB -0.499 31.495 31.823 0.284 0.000 0.913 107 V HN 0.183 nan 8.190 nan 0.000 0.432 108 A N 1.491 124.383 122.820 0.120 0.000 1.858 108 A HA -0.109 4.211 4.320 0.000 0.000 0.216 108 A C 2.622 180.248 177.584 0.069 0.000 1.190 108 A CA 2.946 55.054 52.037 0.118 0.000 0.617 108 A CB -1.035 17.999 19.000 0.057 0.000 0.827 108 A HN 0.815 nan 8.150 nan 0.000 0.443 109 R N 0.041 120.548 120.500 0.012 0.000 2.119 109 R HA -0.234 4.107 4.340 0.000 0.000 0.246 109 R C 1.810 178.061 176.300 -0.082 0.000 1.146 109 R CA 2.267 58.352 56.100 -0.026 0.000 0.962 109 R CB -1.463 28.816 30.300 -0.034 0.000 0.863 109 R HN 0.744 nan 8.270 nan 0.000 0.442 110 E N 0.320 120.419 120.200 -0.169 0.000 2.012 110 E HA -0.126 4.224 4.350 0.000 0.000 0.197 110 E C 1.738 178.055 176.600 -0.472 0.000 1.007 110 E CA 1.356 57.514 56.400 -0.404 0.000 0.816 110 E CB -0.666 28.621 29.700 -0.689 0.000 0.762 110 E HN 0.701 nan 8.360 nan 0.000 0.451 111 F N 2.282 122.234 119.950 0.003 0.000 2.754 111 F HA 0.019 4.546 4.527 0.000 0.000 0.303 111 F C 0.983 176.782 175.800 -0.002 0.000 1.196 111 F CA 0.101 58.102 58.000 0.002 0.000 1.416 111 F CB -0.944 38.059 39.000 0.005 0.000 1.092 111 F HN -0.182 nan 8.300 nan 0.000 0.541 112 T N -2.206 112.383 114.554 0.059 0.000 2.937 112 T HA -0.114 4.236 4.350 0.000 0.000 0.316 112 T C 1.434 176.158 174.700 0.040 0.000 1.079 112 T CA -0.547 61.580 62.100 0.045 0.000 1.131 112 T CB 0.955 69.828 68.868 0.008 0.000 1.000 112 T HN 0.433 nan 8.240 nan 0.000 0.549 113 M N 0.993 120.615 119.600 0.036 0.000 2.260 113 M HA -0.197 4.284 4.480 0.000 0.000 0.261 113 M C 1.918 178.229 176.300 0.018 0.000 1.066 113 M CA 1.650 56.968 55.300 0.029 0.000 1.082 113 M CB -0.137 32.476 32.600 0.022 0.000 1.388 113 M HN 0.626 nan 8.290 nan 0.000 0.419 114 R N -0.308 120.198 120.500 0.009 0.000 2.048 114 R HA 0.033 4.373 4.340 0.000 0.000 0.224 114 R C 2.184 178.480 176.300 -0.007 0.000 1.163 114 R CA 1.468 57.568 56.100 0.000 0.000 0.956 114 R CB -0.816 29.481 30.300 -0.004 0.000 0.849 114 R HN 0.293 nan 8.270 nan 0.000 0.435 115 R N 0.366 120.855 120.500 -0.019 0.000 2.193 115 R HA -0.050 4.290 4.340 0.000 0.000 0.229 115 R C 1.871 178.150 176.300 -0.035 0.000 1.110 115 R CA 0.741 56.819 56.100 -0.037 0.000 0.988 115 R CB -0.199 30.062 30.300 -0.065 0.000 0.871 115 R HN 0.047 nan 8.270 nan 0.000 0.458 116 V N 0.383 120.290 119.914 -0.011 0.000 2.307 116 V HA -0.216 3.904 4.120 0.000 0.000 0.245 116 V C 2.120 178.221 176.094 0.012 0.000 1.045 116 V CA 2.048 64.357 62.300 0.015 0.000 1.024 116 V CB -0.351 31.507 31.823 0.058 0.000 0.651 116 V HN 0.358 nan 8.190 nan 0.000 0.449 117 E N 0.598 120.804 120.200 0.010 0.000 2.147 117 E HA -0.253 4.098 4.350 0.000 0.000 0.199 117 E C 1.930 178.530 176.600 -0.000 0.000 1.005 117 E CA 1.623 58.028 56.400 0.008 0.000 0.810 117 E CB -0.590 29.113 29.700 0.006 0.000 0.736 117 E HN 0.597 nan 8.360 nan 0.000 0.460 118 L N -0.064 121.154 121.223 -0.008 0.000 2.270 118 L HA -0.216 4.124 4.340 0.000 0.000 0.217 118 L C 2.302 179.165 176.870 -0.013 0.000 1.107 118 L CA 0.866 55.697 54.840 -0.014 0.000 0.772 118 L CB -0.476 41.569 42.059 -0.024 0.000 0.902 118 L HN 0.258 nan 8.230 nan 0.000 0.439 119 L N -0.884 120.334 121.223 -0.008 0.000 2.341 119 L HA -0.098 4.242 4.340 0.000 0.000 0.214 119 L C 2.675 179.542 176.870 -0.004 0.000 1.115 119 L CA 0.394 55.230 54.840 -0.006 0.000 0.820 119 L CB -0.440 41.620 42.059 0.002 0.000 0.944 119 L HN 0.250 nan 8.230 nan 0.000 0.452 120 R N 0.858 121.358 120.500 -0.000 0.000 2.165 120 R HA -0.242 4.098 4.340 0.000 0.000 0.254 120 R C -0.615 175.682 176.300 -0.005 0.000 1.153 120 R CA 2.253 58.353 56.100 0.000 0.000 0.971 120 R CB -1.113 29.189 30.300 0.002 0.000 0.878 120 R HN 0.256 nan 8.270 nan 0.000 0.449 121 P HA -0.071 nan 4.420 nan 0.000 0.215 121 P C 0.696 177.988 177.300 -0.013 0.000 1.157 121 P CA 1.172 64.266 63.100 -0.010 0.000 0.856 121 P CB -0.108 31.585 31.700 -0.010 0.000 0.786 122 R N 0.110 120.602 120.500 -0.014 0.000 2.200 122 R HA -0.084 4.256 4.340 0.000 0.000 0.234 122 R C 1.325 177.612 176.300 -0.021 0.000 1.127 122 R CA 1.567 57.656 56.100 -0.018 0.000 0.989 122 R CB -1.147 29.142 30.300 -0.018 0.000 0.869 122 R HN 0.048 nan 8.270 nan 0.000 0.459 123 V N -0.369 119.534 119.914 -0.017 0.000 3.471 123 V HA 0.069 4.189 4.120 0.000 0.000 0.258 123 V C 1.709 177.792 176.094 -0.019 0.000 1.192 123 V CA 0.772 63.060 62.300 -0.019 0.000 1.116 123 V CB 0.259 32.075 31.823 -0.011 0.000 0.792 123 V HN 0.230 nan 8.190 nan 0.000 0.459 124 Q N 0.645 120.436 119.800 -0.016 0.000 2.398 124 Q HA -0.009 4.331 4.340 0.000 0.000 0.204 124 Q C 1.765 177.752 176.000 -0.022 0.000 0.932 124 Q CA 1.032 56.826 55.803 -0.016 0.000 0.916 124 Q CB 0.112 28.843 28.738 -0.012 0.000 1.024 124 Q HN 0.735 nan 8.270 nan 0.000 0.504 125 E N -0.081 120.105 120.200 -0.023 0.000 2.002 125 E HA -0.115 4.235 4.350 0.000 0.000 0.196 125 E C 1.828 178.408 176.600 -0.032 0.000 0.974 125 E CA 1.007 57.392 56.400 -0.026 0.000 0.853 125 E CB -0.331 29.354 29.700 -0.024 0.000 0.808 125 E HN 0.224 nan 8.360 nan 0.000 0.492 126 I N 1.291 121.839 120.570 -0.037 0.000 2.267 126 I HA -0.428 3.742 4.170 0.000 0.000 0.239 126 I C 2.401 178.490 176.117 -0.047 0.000 0.984 126 I CA 1.355 62.627 61.300 -0.047 0.000 1.272 126 I CB -1.016 36.948 38.000 -0.060 0.000 0.976 126 I HN 0.053 nan 8.210 nan 0.000 0.407 127 V N 1.057 120.945 119.914 -0.044 0.000 2.254 127 V HA -0.419 3.701 4.120 0.000 0.000 0.242 127 V C 2.236 178.304 176.094 -0.044 0.000 1.024 127 V CA 2.509 64.784 62.300 -0.042 0.000 1.009 127 V CB -0.769 31.034 31.823 -0.032 0.000 0.653 127 V HN 0.479 nan 8.190 nan 0.000 0.474 128 D N 0.261 120.636 120.400 -0.041 0.000 2.248 128 D HA -0.255 4.386 4.640 0.000 0.000 0.189 128 D C 2.016 178.287 176.300 -0.048 0.000 1.011 128 D CA 2.093 56.065 54.000 -0.045 0.000 0.868 128 D CB -0.878 39.900 40.800 -0.037 0.000 0.931 128 D HN 0.576 nan 8.370 nan 0.000 0.449 129 G N 1.058 109.834 108.800 -0.041 0.000 2.553 129 G HA2 -0.263 3.697 3.960 0.000 0.000 0.218 129 G HA3 -0.263 3.697 3.960 0.000 0.000 0.218 129 G C 1.907 176.781 174.900 -0.043 0.000 1.195 129 G CA 1.037 46.114 45.100 -0.038 0.000 0.779 129 G HN 0.288 nan 8.290 nan 0.000 0.577 130 L N 0.086 121.282 121.223 -0.045 0.000 1.990 130 L HA -0.129 4.211 4.340 0.000 0.000 0.213 130 L C 2.838 179.674 176.870 -0.058 0.000 1.072 130 L CA 0.743 55.557 54.840 -0.044 0.000 0.755 130 L CB -0.736 41.296 42.059 -0.045 0.000 0.889 130 L HN 0.084 nan 8.230 nan 0.000 0.432 131 V N 0.084 119.954 119.914 -0.074 0.000 3.284 131 V HA -0.226 3.894 4.120 0.000 0.000 0.273 131 V C 1.643 177.649 176.094 -0.147 0.000 1.178 131 V CA 1.229 63.460 62.300 -0.116 0.000 1.177 131 V CB -0.883 30.874 31.823 -0.109 0.000 0.793 131 V HN 0.449 nan 8.190 nan 0.000 0.536 132 D N 0.897 121.236 120.400 -0.102 0.000 2.394 132 D HA 0.042 4.682 4.640 0.000 0.000 0.237 132 D C 2.285 178.536 176.300 -0.080 0.000 1.028 132 D CA 1.294 55.238 54.000 -0.093 0.000 0.937 132 D CB -0.560 40.206 40.800 -0.057 0.000 1.072 132 D HN 0.362 nan 8.370 nan 0.000 0.457 133 A N 1.211 124.004 122.820 -0.044 0.000 2.042 133 A HA -0.235 4.085 4.320 0.000 0.000 0.222 133 A C 2.140 179.720 177.584 -0.007 0.000 1.167 133 A CA 1.784 53.813 52.037 -0.012 0.000 0.649 133 A CB -0.714 18.288 19.000 0.003 0.000 0.809 133 A HN 0.234 nan 8.150 nan 0.000 0.457 134 M N -1.123 118.441 119.600 -0.060 0.000 2.160 134 M HA 0.099 4.579 4.480 0.000 0.000 0.264 134 M C 1.538 177.677 176.300 -0.268 0.000 1.073 134 M CA 1.291 56.540 55.300 -0.085 0.000 1.142 134 M CB -0.057 32.464 32.600 -0.130 0.000 1.358 134 M HN 0.368 nan 8.290 nan 0.000 0.422 135 L N 0.351 121.328 121.223 -0.409 0.000 2.622 135 L HA 0.019 4.359 4.340 0.000 0.000 0.233 135 L C 1.690 178.484 176.870 -0.128 0.000 1.156 135 L CA -0.030 54.478 54.840 -0.553 0.000 0.866 135 L CB -0.482 41.299 42.059 -0.463 0.000 0.980 135 L HN 0.312 nan 8.230 nan 0.000 0.448 136 A N -0.075 122.731 122.820 -0.022 0.000 2.327 136 A HA 0.477 4.797 4.320 0.000 0.000 0.228 136 A C 0.951 178.615 177.584 0.133 0.000 1.275 136 A CA 0.140 52.208 52.037 0.052 0.000 0.875 136 A CB -0.296 18.718 19.000 0.025 0.000 0.925 136 A HN 0.223 nan 8.150 nan 0.000 0.493 137 A N 0.365 123.345 122.820 0.268 0.000 2.292 137 A HA 0.654 4.974 4.320 0.000 0.000 0.319 137 A C -1.476 176.247 177.584 0.232 0.000 1.206 137 A CA -1.496 50.697 52.037 0.260 0.000 0.835 137 A CB 0.752 19.946 19.000 0.324 0.000 1.164 137 A HN 0.151 nan 8.150 nan 0.000 0.505 138 P HA -0.160 nan 4.420 nan 0.000 0.212 138 P C 0.796 178.116 177.300 0.034 0.000 1.180 138 P CA 1.490 64.638 63.100 0.080 0.000 0.906 138 P CB -0.001 31.726 31.700 0.045 0.000 0.782 139 D N -0.829 119.565 120.400 -0.010 0.000 2.263 139 D HA -0.236 4.404 4.640 0.000 0.000 0.193 139 D C 1.497 177.667 176.300 -0.218 0.000 1.013 139 D CA 1.885 55.832 54.000 -0.088 0.000 0.892 139 D CB -1.262 39.489 40.800 -0.082 0.000 0.909 139 D HN 0.410 nan 8.370 nan 0.000 0.449 140 G N 0.627 109.239 108.800 -0.314 0.000 2.132 140 G HA2 -0.286 3.675 3.960 0.000 0.000 0.234 140 G HA3 -0.286 3.675 3.960 0.000 0.000 0.234 140 G C 0.106 174.060 174.900 -1.577 0.000 0.989 140 G CA 0.169 44.727 45.100 -0.904 0.000 0.676 140 G HN 0.564 nan 8.290 nan 0.000 0.522 141 R N -0.581 119.338 120.500 -0.968 0.000 2.725 141 R HA 0.876 5.216 4.340 0.000 0.000 0.277 141 R C -0.332 175.844 176.300 -0.207 0.000 0.987 141 R CA -0.161 55.538 56.100 -0.670 0.000 0.901 141 R CB 2.273 32.377 30.300 -0.326 0.000 1.207 141 R HN 1.244 nan 8.270 nan 0.000 0.463 142 A N 0.887 123.720 122.820 0.021 0.000 2.590 142 A HA 0.231 4.551 4.320 0.000 0.000 0.294 142 A C -1.798 175.882 177.584 0.161 0.000 1.046 142 A CA -0.825 51.326 52.037 0.190 0.000 0.684 142 A CB 1.595 20.840 19.000 0.408 0.000 1.279 142 A HN 0.687 nan 8.150 nan 0.000 0.415 143 D N 2.042 122.505 120.400 0.105 0.000 2.498 143 D HA 0.187 4.827 4.640 0.000 0.000 0.229 143 D C 1.321 177.676 176.300 0.091 0.000 1.188 143 D CA -0.319 53.724 54.000 0.072 0.000 1.028 143 D CB 0.108 40.928 40.800 0.034 0.000 1.087 143 D HN 0.621 nan 8.370 nan 0.000 0.510 144 L N 4.263 125.555 121.223 0.116 0.000 2.113 144 L HA -0.312 4.028 4.340 0.000 0.000 0.221 144 L C 1.941 178.862 176.870 0.085 0.000 1.084 144 L CA 2.244 57.147 54.840 0.105 0.000 0.787 144 L CB -0.809 41.313 42.059 0.106 0.000 0.893 144 L HN 0.514 nan 8.230 nan 0.000 0.440 145 M N -0.180 119.460 119.600 0.066 0.000 2.115 145 M HA -0.263 4.218 4.480 0.000 0.000 0.258 145 M C 2.205 178.581 176.300 0.126 0.000 1.071 145 M CA 2.448 57.792 55.300 0.073 0.000 1.100 145 M CB -0.789 31.824 32.600 0.022 0.000 1.292 145 M HN 0.390 nan 8.290 nan 0.000 0.415 146 E N -0.142 120.120 120.200 0.103 0.000 2.147 146 E HA -0.163 4.187 4.350 0.000 0.000 0.199 146 E C 1.529 178.246 176.600 0.195 0.000 1.005 146 E CA 2.136 58.618 56.400 0.137 0.000 0.810 146 E CB -0.309 29.437 29.700 0.077 0.000 0.736 146 E HN 0.703 nan 8.360 nan 0.000 0.460 147 S N -0.520 115.261 115.700 0.136 0.000 2.288 147 S HA 0.004 4.474 4.470 0.000 0.000 0.191 147 S C 1.517 176.167 174.600 0.084 0.000 1.028 147 S CA 0.463 58.725 58.200 0.103 0.000 1.030 147 S CB -0.748 62.494 63.200 0.069 0.000 0.932 147 S HN 0.223 nan 8.310 nan 0.000 0.463 148 L N 1.952 123.210 121.223 0.058 0.000 1.890 148 L HA 0.138 4.478 4.340 0.000 0.000 0.219 148 L C 2.531 179.431 176.870 0.050 0.000 1.104 148 L CA 2.064 56.922 54.840 0.030 0.000 0.792 148 L CB -1.573 40.500 42.059 0.023 0.000 0.887 148 L HN 0.403 nan 8.230 nan 0.000 0.432 149 A N -1.265 121.598 122.820 0.072 0.000 1.925 149 A HA -0.391 3.929 4.320 0.000 0.000 0.244 149 A C 2.088 179.754 177.584 0.137 0.000 1.963 149 A CA 3.236 55.331 52.037 0.097 0.000 0.753 149 A CB -1.961 17.104 19.000 0.108 0.000 0.842 149 A HN 0.827 nan 8.150 nan 0.000 0.530 150 W N -0.015 121.280 121.300 -0.009 0.000 2.633 150 W HA 0.178 4.838 4.660 0.000 0.000 0.295 150 W C -1.026 175.453 176.519 -0.066 0.000 1.133 150 W CA 0.984 58.314 57.345 -0.026 0.000 1.490 150 W CB -1.107 28.365 29.460 0.020 0.000 1.127 150 W HN 0.191 nan 8.180 nan 0.000 0.538 151 P HA -0.324 nan 4.420 nan 0.000 0.212 151 P C 1.806 178.770 177.300 -0.560 0.000 0.886 151 P CA 2.798 65.454 63.100 -0.739 0.000 1.017 151 P CB -0.603 30.933 31.700 -0.273 0.000 0.686 152 L N -0.789 120.256 121.223 -0.297 0.000 2.320 152 L HA -0.314 4.026 4.340 0.000 0.000 0.243 152 L C -0.734 175.985 176.870 -0.252 0.000 1.131 152 L CA 3.492 58.205 54.840 -0.212 0.000 0.843 152 L CB -2.123 39.861 42.059 -0.125 0.000 0.976 152 L HN 0.179 nan 8.230 nan 0.000 0.437 153 P HA -0.251 nan 4.420 nan 0.000 0.208 153 P C 1.674 178.769 177.300 -0.342 0.000 1.180 153 P CA 1.825 64.763 63.100 -0.271 0.000 0.935 153 P CB -0.154 31.361 31.700 -0.309 0.000 0.785 154 I N -1.378 118.858 120.570 -0.556 0.000 2.597 154 I HA -0.250 3.921 4.170 0.000 0.000 0.262 154 I C 1.624 177.548 176.117 -0.322 0.000 1.194 154 I CA 1.935 62.962 61.300 -0.457 0.000 1.437 154 I CB -1.004 36.648 38.000 -0.580 0.000 1.096 154 I HN -0.024 nan 8.210 nan 0.000 0.451 155 T N -1.052 113.316 114.554 -0.311 0.000 2.755 155 T HA -0.051 4.299 4.350 0.000 0.000 0.251 155 T C 1.943 176.564 174.700 -0.132 0.000 1.044 155 T CA 1.375 63.352 62.100 -0.205 0.000 1.154 155 T CB -0.390 68.364 68.868 -0.190 0.000 0.866 155 T HN 0.103 nan 8.240 nan 0.000 0.416 156 V N 1.917 121.762 119.914 -0.115 0.000 2.222 156 V HA -0.241 3.880 4.120 0.000 0.000 0.252 156 V C 2.423 178.493 176.094 -0.040 0.000 1.060 156 V CA 2.097 64.360 62.300 -0.061 0.000 1.027 156 V CB -0.718 31.080 31.823 -0.042 0.000 0.644 156 V HN 0.397 nan 8.190 nan 0.000 0.448 157 I N -0.132 120.410 120.570 -0.047 0.000 2.145 157 I HA -0.285 3.886 4.170 0.000 0.000 0.244 157 I C 2.566 178.667 176.117 -0.025 0.000 1.075 157 I CA 2.190 63.481 61.300 -0.015 0.000 1.332 157 I CB -0.528 37.452 38.000 -0.033 0.000 1.033 157 I HN 0.290 nan 8.210 nan 0.000 0.410 158 S N -0.022 115.635 115.700 -0.072 0.000 2.359 158 S HA -0.275 4.196 4.470 0.000 0.000 0.223 158 S C 1.848 176.436 174.600 -0.021 0.000 1.039 158 S CA 1.794 59.957 58.200 -0.062 0.000 1.042 158 S CB -0.416 62.734 63.200 -0.084 0.000 0.915 158 S HN 0.533 nan 8.310 nan 0.000 0.439 159 E N 1.153 121.338 120.200 -0.024 0.000 2.033 159 E HA -0.156 4.195 4.350 0.000 0.000 0.199 159 E C 2.041 178.641 176.600 0.000 0.000 1.011 159 E CA 1.238 57.632 56.400 -0.011 0.000 0.815 159 E CB -0.508 29.181 29.700 -0.019 0.000 0.755 159 E HN 0.416 nan 8.360 nan 0.000 0.451 160 L N -0.404 120.822 121.223 0.005 0.000 2.103 160 L HA -0.231 4.110 4.340 0.000 0.000 0.215 160 L C 1.732 178.619 176.870 0.028 0.000 1.080 160 L CA 1.052 55.901 54.840 0.014 0.000 0.764 160 L CB -0.392 41.696 42.059 0.049 0.000 0.890 160 L HN 0.163 nan 8.230 nan 0.000 0.435 161 L N -0.847 120.399 121.223 0.039 0.000 3.014 161 L HA 0.310 4.651 4.340 0.000 0.000 0.263 161 L C 1.026 177.926 176.870 0.051 0.000 1.207 161 L CA -0.014 54.858 54.840 0.053 0.000 1.017 161 L CB 0.472 42.578 42.059 0.078 0.000 1.360 161 L HN 0.299 nan 8.230 nan 0.000 0.560 162 G N 1.086 109.908 108.800 0.037 0.000 2.314 162 G HA2 -0.232 3.728 3.960 0.000 0.000 0.292 162 G HA3 -0.232 3.728 3.960 0.000 0.000 0.292 162 G C -0.045 174.899 174.900 0.074 0.000 1.059 162 G CA 0.143 45.269 45.100 0.044 0.000 0.982 162 G HN 0.127 nan 8.290 nan 0.000 0.505 163 V N 1.088 121.045 119.914 0.071 0.000 2.304 163 V HA 0.273 4.394 4.120 0.000 0.000 0.262 163 V C -1.131 175.029 176.094 0.110 0.000 1.061 163 V CA -1.620 60.755 62.300 0.124 0.000 0.872 163 V CB 0.901 32.747 31.823 0.037 0.000 1.077 163 V HN 0.229 nan 8.190 nan 0.000 0.480 164 P HA -0.108 nan 4.420 nan 0.000 0.269 164 P C 1.093 178.447 177.300 0.090 0.000 1.185 164 P CA 0.386 63.556 63.100 0.116 0.000 0.769 164 P CB 0.764 32.556 31.700 0.153 0.000 0.809 165 E N 3.122 123.357 120.200 0.059 0.000 2.077 165 E HA -0.144 4.206 4.350 0.000 0.000 0.193 165 E C -0.712 175.923 176.600 0.058 0.000 0.989 165 E CA 2.000 58.425 56.400 0.041 0.000 0.800 165 E CB -1.725 27.991 29.700 0.026 0.000 0.746 165 E HN 0.400 nan 8.360 nan 0.000 0.452 166 P HA -0.078 nan 4.420 nan 0.000 0.220 166 P C 0.558 177.903 177.300 0.076 0.000 1.148 166 P CA 1.181 64.323 63.100 0.070 0.000 0.803 166 P CB 0.048 31.794 31.700 0.076 0.000 0.782 167 D N -1.182 119.284 120.400 0.111 0.000 2.271 167 D HA 0.004 4.645 4.640 0.000 0.000 0.206 167 D C 1.625 177.981 176.300 0.092 0.000 0.967 167 D CA 0.476 54.526 54.000 0.084 0.000 0.867 167 D CB -0.519 40.420 40.800 0.231 0.000 0.960 167 D HN 0.160 nan 8.370 nan 0.000 0.509 168 R N 0.886 121.458 120.500 0.121 0.000 2.417 168 R HA -0.015 4.325 4.340 0.000 0.000 0.220 168 R C 1.767 178.228 176.300 0.268 0.000 1.128 168 R CA 0.704 56.894 56.100 0.150 0.000 1.048 168 R CB -0.192 30.134 30.300 0.043 0.000 0.835 168 R HN 0.105 nan 8.270 nan 0.000 0.483 169 A N 1.190 124.104 122.820 0.156 0.000 1.903 169 A HA 0.068 4.389 4.320 0.000 0.000 0.213 169 A C 2.321 179.850 177.584 -0.091 0.000 1.185 169 A CA 1.038 53.132 52.037 0.094 0.000 0.628 169 A CB -0.335 18.665 19.000 0.001 0.000 0.830 169 A HN 0.332 nan 8.150 nan 0.000 0.446 170 A N -1.351 121.255 122.820 -0.357 0.000 2.121 170 A HA 0.095 4.415 4.320 0.000 0.000 0.218 170 A C 1.792 178.777 177.584 -0.999 0.000 1.154 170 A CA 1.059 52.464 52.037 -1.055 0.000 0.679 170 A CB -0.730 17.174 19.000 -1.827 0.000 0.795 170 A HN 0.435 nan 8.150 nan 0.000 0.458 171 F N -0.251 119.576 119.950 -0.204 0.000 2.113 171 F HA -0.068 4.459 4.527 0.000 0.000 0.297 171 F C 2.443 178.230 175.800 -0.022 0.000 1.103 171 F CA 1.727 59.838 58.000 0.185 0.000 1.248 171 F CB -0.276 38.886 39.000 0.271 0.000 0.999 171 F HN 0.200 nan 8.300 nan 0.000 0.475 172 R N 0.545 121.181 120.500 0.227 0.000 2.092 172 R HA -0.116 4.224 4.340 0.000 0.000 0.231 172 R C 1.935 178.110 176.300 -0.209 0.000 1.119 172 R CA 1.526 57.633 56.100 0.011 0.000 0.970 172 R CB -0.409 29.708 30.300 -0.306 0.000 0.864 172 R HN 0.201 nan 8.270 nan 0.000 0.440 173 V N -0.153 119.595 119.914 -0.276 0.000 2.427 173 V HA -0.213 3.907 4.120 0.000 0.000 0.248 173 V C 2.143 178.072 176.094 -0.274 0.000 1.051 173 V CA 1.362 63.462 62.300 -0.333 0.000 1.048 173 V CB -0.637 30.913 31.823 -0.455 0.000 0.666 173 V HN 0.416 nan 8.190 nan 0.000 0.456 174 W N 0.608 121.729 121.300 -0.298 0.000 2.444 174 W HA -0.054 4.606 4.660 0.000 0.000 0.308 174 W C 2.670 178.700 176.519 -0.814 0.000 1.183 174 W CA 1.567 58.645 57.345 -0.444 0.000 1.340 174 W CB -1.625 27.537 29.460 -0.496 0.000 1.138 174 W HN 0.242 nan 8.180 nan 0.000 0.510 175 T N 0.887 115.117 114.554 -0.541 0.000 2.882 175 T HA -0.213 4.137 4.350 0.000 0.000 0.268 175 T C 0.877 175.348 174.700 -0.381 0.000 1.104 175 T CA 1.989 63.717 62.100 -0.620 0.000 1.118 175 T CB -0.282 68.321 68.868 -0.442 0.000 0.831 175 T HN 0.006 nan 8.240 nan 0.000 0.529 176 D N 0.574 120.809 120.400 -0.276 0.000 2.213 176 D HA 0.195 4.835 4.640 0.000 0.000 0.205 176 D C 2.290 178.524 176.300 -0.109 0.000 0.961 176 D CA 0.874 54.750 54.000 -0.208 0.000 0.853 176 D CB -0.422 40.272 40.800 -0.177 0.000 0.967 176 D HN 0.401 nan 8.370 nan 0.000 0.496 177 A N 0.547 123.366 122.820 -0.001 0.000 1.855 177 A HA -0.130 4.191 4.320 0.000 0.000 0.215 177 A C 2.091 179.845 177.584 0.284 0.000 1.191 177 A CA 0.959 53.095 52.037 0.165 0.000 0.613 177 A CB -1.239 17.943 19.000 0.304 0.000 0.829 177 A HN 0.276 nan 8.150 nan 0.000 0.442 178 F N -0.313 119.637 119.950 0.000 0.000 2.192 178 F HA -0.212 4.315 4.527 0.000 0.000 0.301 178 F C 2.157 177.942 175.800 -0.025 0.000 1.079 178 F CA 0.752 58.755 58.000 0.005 0.000 1.303 178 F CB -0.350 38.665 39.000 0.025 0.000 1.024 178 F HN 0.071 nan 8.300 nan 0.000 0.494 179 V N 0.045 120.005 119.914 0.078 0.000 2.365 179 V HA -0.064 4.056 4.120 0.000 0.000 0.232 179 V C 1.022 177.052 176.094 -0.105 0.000 1.065 179 V CA 1.497 63.744 62.300 -0.089 0.000 1.054 179 V CB -0.876 30.725 31.823 -0.371 0.000 0.685 179 V HN 0.154 nan 8.190 nan 0.000 0.480 180 F N 3.182 123.017 119.950 -0.192 0.000 2.366 180 F HA 0.647 5.174 4.527 0.000 0.000 0.328 180 F C -2.438 173.341 175.800 -0.036 0.000 1.180 180 F CA -2.650 55.292 58.000 -0.097 0.000 1.232 180 F CB -0.707 38.217 39.000 -0.127 0.000 1.513 180 F HN 0.185 nan 8.300 nan 0.000 0.540 181 P HA 0.258 nan 4.420 nan 0.000 0.266 181 P C 0.733 178.048 177.300 0.024 0.000 1.215 181 P CA 1.180 64.303 63.100 0.038 0.000 0.763 181 P CB 0.539 32.279 31.700 0.066 0.000 0.806 182 D N 3.288 123.699 120.400 0.017 0.000 2.170 182 D HA -0.220 4.420 4.640 0.000 0.000 0.193 182 D C 0.549 176.858 176.300 0.016 0.000 1.004 182 D CA 2.182 56.189 54.000 0.012 0.000 0.860 182 D CB -0.495 40.310 40.800 0.007 0.000 0.931 182 D HN 0.738 nan 8.370 nan 0.000 0.448 183 D N -4.533 115.879 120.400 0.021 0.000 2.654 183 D HA 0.416 5.056 4.640 0.000 0.000 0.231 183 D C -3.173 173.140 176.300 0.022 0.000 1.239 183 D CA -1.752 52.259 54.000 0.019 0.000 0.790 183 D CB 1.261 42.069 40.800 0.013 0.000 1.480 183 D HN -0.095 nan 8.370 nan 0.000 0.442 184 P HA 0.279 nan 4.420 nan 0.000 0.229 184 P C -0.340 176.965 177.300 0.009 0.000 1.597 184 P CA 0.489 63.598 63.100 0.016 0.000 1.030 184 P CB -0.048 31.660 31.700 0.013 0.000 1.897 185 A N -0.021 122.807 122.820 0.013 0.000 2.011 185 A HA -0.018 4.302 4.320 0.000 0.000 0.170 185 A C 1.804 179.400 177.584 0.021 0.000 1.938 185 A CA 0.021 52.063 52.037 0.008 0.000 1.498 185 A CB -0.254 18.750 19.000 0.008 0.000 1.619 185 A HN 0.138 nan 8.150 nan 0.000 0.343 186 Q N 0.285 120.110 119.800 0.042 0.000 2.050 186 Q HA -0.066 4.274 4.340 0.000 0.000 0.202 186 Q C 2.300 178.359 176.000 0.098 0.000 0.980 186 Q CA 1.584 57.432 55.803 0.075 0.000 0.840 186 Q CB -0.300 28.490 28.738 0.086 0.000 0.898 186 Q HN 0.688 nan 8.270 nan 0.000 0.424 187 A N 1.000 123.869 122.820 0.083 0.000 2.032 187 A HA -0.229 4.091 4.320 0.000 0.000 0.221 187 A C 1.963 179.491 177.584 -0.093 0.000 1.165 187 A CA 1.402 53.465 52.037 0.042 0.000 0.645 187 A CB -0.261 18.746 19.000 0.011 0.000 0.807 187 A HN 0.278 nan 8.150 nan 0.000 0.453 188 Q N -1.718 118.046 119.800 -0.061 0.000 2.402 188 Q HA 0.015 4.355 4.340 0.000 0.000 0.206 188 Q C 1.492 177.449 176.000 -0.071 0.000 0.919 188 Q CA 1.226 56.970 55.803 -0.098 0.000 0.923 188 Q CB 0.105 28.797 28.738 -0.076 0.000 1.048 188 Q HN 0.616 nan 8.270 nan 0.000 0.515 189 T N 0.334 114.881 114.554 -0.011 0.000 3.044 189 T HA 0.149 4.499 4.350 0.000 0.000 0.255 189 T C 1.680 176.415 174.700 0.059 0.000 1.073 189 T CA 0.713 62.826 62.100 0.021 0.000 1.125 189 T CB 0.282 69.180 68.868 0.051 0.000 0.908 189 T HN 0.270 nan 8.240 nan 0.000 0.480 190 A N 1.198 124.083 122.820 0.108 0.000 1.930 190 A HA 0.136 4.456 4.320 0.000 0.000 0.215 190 A C 2.205 179.680 177.584 -0.182 0.000 1.176 190 A CA 0.931 53.081 52.037 0.188 0.000 0.632 190 A CB -0.482 18.866 19.000 0.579 0.000 0.819 190 A HN 0.403 nan 8.150 nan 0.000 0.445 191 M N -0.686 118.789 119.600 -0.208 0.000 2.229 191 M HA -0.093 4.387 4.480 0.000 0.000 0.264 191 M C 2.280 178.405 176.300 -0.292 0.000 1.063 191 M CA 1.330 56.418 55.300 -0.353 0.000 1.114 191 M CB -0.201 32.145 32.600 -0.423 0.000 1.387 191 M HN 0.496 nan 8.290 nan 0.000 0.420 192 A N -0.491 122.208 122.820 -0.201 0.000 2.044 192 A HA -0.009 4.311 4.320 0.000 0.000 0.213 192 A C 1.832 179.340 177.584 -0.126 0.000 1.169 192 A CA 0.617 52.565 52.037 -0.147 0.000 0.724 192 A CB -0.242 18.703 19.000 -0.092 0.000 0.840 192 A HN 0.412 nan 8.150 nan 0.000 0.463 193 E N -0.779 119.347 120.200 -0.124 0.000 2.107 193 E HA -0.102 4.248 4.350 0.000 0.000 0.191 193 E C 1.937 178.382 176.600 -0.259 0.000 0.982 193 E CA 1.060 57.455 56.400 -0.008 0.000 0.809 193 E CB -0.142 29.742 29.700 0.307 0.000 0.756 193 E HN 0.662 nan 8.360 nan 0.000 0.459 194 M N 0.105 119.208 119.600 -0.830 0.000 2.388 194 M HA -0.041 4.439 4.480 0.000 0.000 0.265 194 M C 2.107 178.169 176.300 -0.396 0.000 1.088 194 M CA 0.849 55.462 55.300 -1.145 0.000 1.134 194 M CB 0.263 31.977 32.600 -1.477 0.000 1.384 194 M HN -0.061 nan 8.290 nan 0.000 0.447 195 S N -0.361 115.170 115.700 -0.282 0.000 2.603 195 S HA 0.087 4.558 4.470 0.000 0.000 0.220 195 S C 1.451 176.002 174.600 -0.082 0.000 0.967 195 S CA 0.804 58.912 58.200 -0.153 0.000 0.920 195 S CB -0.206 62.891 63.200 -0.173 0.000 0.773 195 S HN 0.644 nan 8.310 nan 0.000 0.529 196 G N -0.362 108.402 108.800 -0.060 0.000 2.556 196 G HA2 0.002 3.962 3.960 0.000 0.000 0.209 196 G HA3 0.002 3.962 3.960 0.000 0.000 0.209 196 G C 1.091 176.028 174.900 0.061 0.000 1.159 196 G CA 0.367 45.472 45.100 0.007 0.000 0.828 196 G HN 0.572 nan 8.290 nan 0.000 0.553 197 Y N 1.378 121.681 120.300 0.005 0.000 2.181 197 Y HA 0.019 4.569 4.550 0.000 0.000 0.288 197 Y C 2.412 178.372 175.900 0.101 0.000 1.146 197 Y CA 1.167 59.325 58.100 0.097 0.000 1.164 197 Y CB -0.236 38.347 38.460 0.205 0.000 0.982 197 Y HN 0.046 nan 8.280 nan 0.000 0.515 198 L N -0.638 120.583 121.223 -0.003 0.000 1.955 198 L HA -0.283 4.058 4.340 0.000 0.000 0.213 198 L C 2.550 179.357 176.870 -0.104 0.000 1.072 198 L CA 2.018 56.831 54.840 -0.046 0.000 0.755 198 L CB -1.173 40.955 42.059 0.116 0.000 0.888 198 L HN 0.208 nan 8.230 nan 0.000 0.432 199 S N -0.508 115.163 115.700 -0.048 0.000 2.389 199 S HA -0.268 4.202 4.470 0.000 0.000 0.231 199 S C 1.983 176.545 174.600 -0.064 0.000 1.052 199 S CA 1.523 59.700 58.200 -0.040 0.000 1.053 199 S CB -0.372 62.812 63.200 -0.027 0.000 0.886 199 S HN 0.322 nan 8.310 nan 0.000 0.456 200 R N 0.114 120.559 120.500 -0.092 0.000 2.120 200 R HA -0.025 4.315 4.340 0.000 0.000 0.234 200 R C 2.203 178.428 176.300 -0.124 0.000 1.123 200 R CA 0.988 57.034 56.100 -0.089 0.000 0.975 200 R CB -0.412 29.848 30.300 -0.067 0.000 0.866 200 R HN 0.294 nan 8.270 nan 0.000 0.446 201 L N 0.903 121.991 121.223 -0.225 0.000 2.376 201 L HA -0.043 4.297 4.340 0.000 0.000 0.219 201 L C 1.700 178.523 176.870 -0.078 0.000 1.133 201 L CA 1.323 56.051 54.840 -0.187 0.000 0.816 201 L CB -0.082 41.806 42.059 -0.286 0.000 0.933 201 L HN 0.139 nan 8.230 nan 0.000 0.449 202 I N -0.212 120.323 120.570 -0.059 0.000 2.315 202 I HA -0.249 3.921 4.170 0.000 0.000 0.248 202 I C 1.781 177.888 176.117 -0.017 0.000 1.117 202 I CA 1.223 62.509 61.300 -0.023 0.000 1.404 202 I CB -0.430 37.563 38.000 -0.013 0.000 1.071 202 I HN 0.342 nan 8.210 nan 0.000 0.419 203 D N 0.472 120.859 120.400 -0.022 0.000 2.123 203 D HA -0.139 4.501 4.640 0.000 0.000 0.200 203 D C 2.219 178.515 176.300 -0.007 0.000 0.976 203 D CA 1.616 55.608 54.000 -0.012 0.000 0.831 203 D CB -0.573 40.221 40.800 -0.011 0.000 0.974 203 D HN 0.349 nan 8.370 nan 0.000 0.469 204 S N 0.425 116.119 115.700 -0.011 0.000 2.442 204 S HA -0.081 4.389 4.470 0.000 0.000 0.236 204 S C 1.697 176.299 174.600 0.003 0.000 1.007 204 S CA 0.631 58.831 58.200 -0.001 0.000 0.965 204 S CB -0.042 63.158 63.200 -0.000 0.000 0.773 204 S HN 0.087 nan 8.310 nan 0.000 0.504 205 K N 1.171 121.571 120.400 -0.001 0.000 2.202 205 K HA 0.127 4.447 4.320 0.000 0.000 0.201 205 K C 1.156 177.759 176.600 0.005 0.000 1.051 205 K CA 0.136 56.426 56.287 0.005 0.000 0.977 205 K CB -0.130 32.374 32.500 0.006 0.000 0.792 205 K HN 0.415 nan 8.250 nan 0.000 0.469 206 R N 0.468 120.969 120.500 0.002 0.000 2.309 206 R HA 0.129 4.469 4.340 0.000 0.000 0.331 206 R C 0.268 176.570 176.300 0.003 0.000 1.116 206 R CA 0.939 57.040 56.100 0.002 0.000 0.970 206 R CB -0.152 30.148 30.300 0.000 0.000 1.024 206 R HN 0.376 nan 8.270 nan 0.000 0.472 207 G N 2.859 111.661 108.800 0.003 0.000 2.797 207 G HA2 -0.190 3.770 3.960 0.000 0.000 0.195 207 G HA3 -0.190 3.770 3.960 0.000 0.000 0.195 207 G C -0.159 174.743 174.900 0.005 0.000 1.026 207 G CA -0.526 44.576 45.100 0.004 0.000 0.759 207 G HN 0.530 nan 8.290 nan 0.000 0.475 208 Q N 0.799 120.602 119.800 0.006 0.000 2.179 208 Q HA 0.492 4.832 4.340 0.000 0.000 0.174 208 Q C -0.574 175.429 176.000 0.005 0.000 1.044 208 Q CA -0.068 55.738 55.803 0.006 0.000 1.105 208 Q CB 0.403 29.146 28.738 0.008 0.000 1.213 208 Q HN 0.315 nan 8.270 nan 0.000 0.574 209 D N 0.320 120.723 120.400 0.005 0.000 3.010 209 D HA 0.248 4.888 4.640 0.000 0.000 0.347 209 D C -0.045 176.258 176.300 0.004 0.000 1.340 209 D CA -0.052 53.950 54.000 0.003 0.000 0.858 209 D CB 0.327 41.129 40.800 0.003 0.000 1.111 209 D HN 0.510 nan 8.370 nan 0.000 0.482 210 G N 0.315 109.119 108.800 0.005 0.000 2.491 210 G HA2 0.066 4.026 3.960 0.000 0.000 0.242 210 G HA3 0.066 4.026 3.960 0.000 0.000 0.242 210 G C 0.710 175.612 174.900 0.003 0.000 1.266 210 G CA -0.133 44.971 45.100 0.006 0.000 0.844 210 G HN 0.128 nan 8.290 nan 0.000 0.571 211 E N -0.255 119.946 120.200 0.001 0.000 2.473 211 E HA 0.036 4.386 4.350 0.000 0.000 0.204 211 E C -0.011 176.585 176.600 -0.006 0.000 0.994 211 E CA -0.063 56.334 56.400 -0.005 0.000 0.945 211 E CB 0.352 30.047 29.700 -0.007 0.000 0.990 211 E HN 0.820 nan 8.360 nan 0.000 0.493 212 D N 0.425 120.825 120.400 0.000 0.000 2.399 212 D HA -0.065 4.576 4.640 0.000 0.000 0.241 212 D C 1.101 177.404 176.300 0.005 0.000 1.133 212 D CA -0.382 53.620 54.000 0.003 0.000 0.890 212 D CB 1.029 41.837 40.800 0.014 0.000 1.201 212 D HN -0.167 nan 8.370 nan 0.000 0.432 213 L N 2.290 123.515 121.223 0.003 0.000 2.021 213 L HA -0.181 4.159 4.340 0.000 0.000 0.215 213 L C 1.891 178.779 176.870 0.030 0.000 1.074 213 L CA 1.645 56.491 54.840 0.009 0.000 0.760 213 L CB -0.951 41.116 42.059 0.013 0.000 0.889 213 L HN 0.727 nan 8.230 nan 0.000 0.433 214 L N -1.231 120.018 121.223 0.043 0.000 2.042 214 L HA -0.222 4.118 4.340 0.000 0.000 0.210 214 L C 2.511 179.401 176.870 0.032 0.000 1.076 214 L CA 2.132 57.001 54.840 0.049 0.000 0.749 214 L CB -0.788 41.305 42.059 0.056 0.000 0.893 214 L HN 0.311 nan 8.230 nan 0.000 0.432 215 S N -0.678 115.035 115.700 0.023 0.000 2.383 215 S HA -0.079 4.392 4.470 0.000 0.000 0.227 215 S C 2.044 176.652 174.600 0.012 0.000 1.026 215 S CA 0.953 59.162 58.200 0.015 0.000 0.981 215 S CB -0.446 62.761 63.200 0.011 0.000 0.818 215 S HN 0.655 nan 8.310 nan 0.000 0.472 216 A N 1.001 123.827 122.820 0.010 0.000 2.015 216 A HA 0.077 4.397 4.320 0.000 0.000 0.219 216 A C 1.846 179.436 177.584 0.011 0.000 1.163 216 A CA 0.953 52.994 52.037 0.006 0.000 0.646 216 A CB -0.479 18.520 19.000 -0.003 0.000 0.806 216 A HN 0.487 nan 8.150 nan 0.000 0.448 217 L N -0.691 120.545 121.223 0.020 0.000 2.558 217 L HA 0.007 4.347 4.340 0.000 0.000 0.225 217 L C 1.939 178.823 176.870 0.023 0.000 1.128 217 L CA -0.035 54.822 54.840 0.027 0.000 0.868 217 L CB -0.006 42.079 42.059 0.043 0.000 1.006 217 L HN 0.203 nan 8.230 nan 0.000 0.454 218 V N -0.259 119.666 119.914 0.018 0.000 2.331 218 V HA -0.157 3.963 4.120 0.000 0.000 0.242 218 V C 2.538 178.637 176.094 0.009 0.000 1.034 218 V CA 1.357 63.665 62.300 0.014 0.000 1.027 218 V CB -0.397 31.433 31.823 0.011 0.000 0.667 218 V HN 0.318 nan 8.190 nan 0.000 0.457 219 R N 0.463 120.968 120.500 0.007 0.000 2.083 219 R HA -0.144 4.196 4.340 0.000 0.000 0.237 219 R C 2.422 178.726 176.300 0.006 0.000 1.137 219 R CA 2.106 58.209 56.100 0.005 0.000 0.951 219 R CB -1.182 29.120 30.300 0.003 0.000 0.851 219 R HN 0.510 nan 8.270 nan 0.000 0.434 220 T N -0.338 114.220 114.554 0.007 0.000 2.751 220 T HA -0.244 4.106 4.350 0.000 0.000 0.268 220 T C 1.890 176.596 174.700 0.009 0.000 1.045 220 T CA 1.922 64.027 62.100 0.009 0.000 1.142 220 T CB -0.332 68.543 68.868 0.012 0.000 0.851 220 T HN 0.246 nan 8.240 nan 0.000 0.474 221 S N 0.224 115.930 115.700 0.010 0.000 2.387 221 S HA -0.056 4.414 4.470 0.000 0.000 0.221 221 S C 1.618 176.220 174.600 0.004 0.000 1.041 221 S CA 0.729 58.934 58.200 0.008 0.000 0.959 221 S CB -0.319 62.887 63.200 0.011 0.000 0.843 221 S HN 0.397 nan 8.310 nan 0.000 0.488 222 D N 0.999 121.401 120.400 0.003 0.000 2.264 222 D HA -0.010 4.630 4.640 0.000 0.000 0.208 222 D C 1.819 178.120 176.300 0.001 0.000 0.966 222 D CA 0.822 54.822 54.000 0.001 0.000 0.864 222 D CB -0.048 40.753 40.800 0.001 0.000 0.933 222 D HN 0.449 nan 8.370 nan 0.000 0.499 223 E N -0.409 119.792 120.200 0.002 0.000 2.170 223 E HA 0.023 4.373 4.350 0.000 0.000 0.191 223 E C -0.177 176.424 176.600 0.001 0.000 0.981 223 E CA 0.655 57.056 56.400 0.001 0.000 0.830 223 E CB 0.513 30.214 29.700 0.002 0.000 0.775 223 E HN -0.029 nan 8.360 nan 0.000 0.470 224 D N -1.810 118.591 120.400 0.002 0.000 2.333 224 D HA 0.147 4.788 4.640 0.000 0.000 0.225 224 D C 0.501 176.802 176.300 0.002 0.000 1.345 224 D CA -0.018 53.983 54.000 0.001 0.000 0.971 224 D CB 0.817 41.618 40.800 0.002 0.000 1.451 224 D HN 0.055 nan 8.370 nan 0.000 0.561 225 G N 1.135 109.934 108.800 -0.001 0.000 2.408 225 G HA2 -0.210 3.751 3.960 0.000 0.000 0.217 225 G HA3 -0.210 3.751 3.960 0.000 0.000 0.217 225 G C 1.390 176.288 174.900 -0.003 0.000 1.150 225 G CA 0.927 46.024 45.100 -0.004 0.000 0.776 225 G HN 0.476 nan 8.290 nan 0.000 0.542 226 S N -0.156 115.543 115.700 -0.001 0.000 2.462 226 S HA -0.127 4.343 4.470 0.000 0.000 0.243 226 S C 2.086 176.690 174.600 0.007 0.000 1.003 226 S CA 1.390 59.591 58.200 0.002 0.000 0.970 226 S CB -0.177 63.024 63.200 0.003 0.000 0.762 226 S HN 0.514 nan 8.310 nan 0.000 0.510 227 R N -0.239 120.265 120.500 0.007 0.000 2.468 227 R HA 0.390 4.730 4.340 0.000 0.000 0.280 227 R C -1.072 175.237 176.300 0.015 0.000 0.963 227 R CA -0.039 56.068 56.100 0.011 0.000 1.083 227 R CB 0.207 30.512 30.300 0.009 0.000 1.200 227 R HN 0.315 nan 8.270 nan 0.000 0.541 228 L N 0.418 121.649 121.223 0.012 0.000 4.880 228 L HA 0.025 4.365 4.340 0.000 0.000 0.251 228 L C -0.843 176.028 176.870 0.003 0.000 1.109 228 L CA -0.034 54.816 54.840 0.016 0.000 1.220 228 L CB 0.609 42.682 42.059 0.023 0.000 1.906 228 L HN 0.216 nan 8.230 nan 0.000 0.592 229 T N -0.076 114.472 114.554 -0.011 0.000 2.868 229 T HA 0.405 4.756 4.350 0.000 0.000 0.292 229 T C 1.373 176.055 174.700 -0.030 0.000 1.028 229 T CA 0.132 62.210 62.100 -0.037 0.000 1.059 229 T CB 1.280 70.096 68.868 -0.086 0.000 0.991 229 T HN 1.101 nan 8.240 nan 0.000 0.531 230 S N 0.352 116.031 115.700 -0.035 0.000 2.493 230 S HA -0.129 4.341 4.470 0.000 0.000 0.243 230 S C 1.427 176.015 174.600 -0.021 0.000 0.991 230 S CA 0.960 59.148 58.200 -0.021 0.000 0.957 230 S CB -0.648 62.538 63.200 -0.023 0.000 0.756 230 S HN 0.833 nan 8.310 nan 0.000 0.521 231 E N 1.183 121.346 120.200 -0.062 0.000 2.075 231 E HA -0.033 4.318 4.350 0.000 0.000 0.190 231 E C 2.129 178.750 176.600 0.035 0.000 0.969 231 E CA 0.939 57.303 56.400 -0.061 0.000 0.815 231 E CB -0.140 29.382 29.700 -0.296 0.000 0.776 231 E HN 0.692 nan 8.360 nan 0.000 0.457 232 E N 1.024 121.234 120.200 0.015 0.000 2.110 232 E HA -0.190 4.160 4.350 0.000 0.000 0.193 232 E C 2.105 178.762 176.600 0.096 0.000 0.988 232 E CA 0.654 57.110 56.400 0.094 0.000 0.804 232 E CB -0.050 29.687 29.700 0.063 0.000 0.745 232 E HN 0.064 nan 8.360 nan 0.000 0.458 233 L N 1.192 122.451 121.223 0.060 0.000 1.970 233 L HA -0.169 4.171 4.340 0.000 0.000 0.212 233 L C 2.172 179.094 176.870 0.086 0.000 1.071 233 L CA 1.631 56.508 54.840 0.063 0.000 0.751 233 L CB -0.959 41.122 42.059 0.037 0.000 0.889 233 L HN 0.159 nan 8.230 nan 0.000 0.432 234 L N 0.426 121.695 121.223 0.077 0.000 2.079 234 L HA -0.033 4.307 4.340 0.000 0.000 0.210 234 L C 2.327 179.291 176.870 0.156 0.000 1.081 234 L CA 2.078 56.974 54.840 0.093 0.000 0.752 234 L CB -1.511 40.581 42.059 0.055 0.000 0.896 234 L HN 0.413 nan 8.230 nan 0.000 0.433 235 G N -1.129 107.778 108.800 0.179 0.000 2.402 235 G HA2 -0.323 3.638 3.960 0.000 0.000 0.216 235 G HA3 -0.323 3.638 3.960 0.000 0.000 0.216 235 G C 1.534 176.586 174.900 0.254 0.000 1.162 235 G CA 0.973 46.234 45.100 0.268 0.000 0.777 235 G HN 0.380 nan 8.290 nan 0.000 0.539 236 M N 1.449 121.156 119.600 0.178 0.000 2.059 236 M HA 0.154 4.634 4.480 0.000 0.000 0.259 236 M C 2.805 179.196 176.300 0.151 0.000 1.072 236 M CA 1.693 57.080 55.300 0.145 0.000 1.117 236 M CB -0.691 31.983 32.600 0.124 0.000 1.320 236 M HN 0.248 nan 8.290 nan 0.000 0.408 237 A N -0.202 122.716 122.820 0.164 0.000 1.870 237 A HA -0.335 3.985 4.320 0.000 0.000 0.219 237 A C 2.288 180.011 177.584 0.232 0.000 1.224 237 A CA 2.586 54.734 52.037 0.185 0.000 0.650 237 A CB -1.865 17.243 19.000 0.181 0.000 0.836 237 A HN 0.821 nan 8.150 nan 0.000 0.454 238 H N -0.865 118.308 119.070 0.170 0.000 2.290 238 H HA -0.164 4.392 4.556 0.000 0.000 0.298 238 H C 2.051 177.491 175.328 0.187 0.000 1.087 238 H CA 2.107 58.271 56.048 0.193 0.000 1.291 238 H CB -0.420 29.422 29.762 0.134 0.000 1.369 238 H HN 0.351 nan 8.280 nan 0.000 0.492 239 I N 1.124 121.537 120.570 -0.262 0.000 2.361 239 I HA -0.219 3.951 4.170 0.000 0.000 0.251 239 I C 2.509 178.579 176.117 -0.079 0.000 1.133 239 I CA 0.768 61.907 61.300 -0.268 0.000 1.413 239 I CB -0.502 37.455 38.000 -0.072 0.000 1.073 239 I HN 0.318 nan 8.210 nan 0.000 0.424 240 L N -1.005 120.226 121.223 0.014 0.000 2.240 240 L HA -0.074 4.267 4.340 0.000 0.000 0.211 240 L C 2.283 179.191 176.870 0.064 0.000 1.106 240 L CA 1.102 55.964 54.840 0.037 0.000 0.793 240 L CB -0.586 41.542 42.059 0.115 0.000 0.927 240 L HN 0.284 nan 8.230 nan 0.000 0.446 241 L N -1.100 120.190 121.223 0.111 0.000 1.971 241 L HA -0.153 4.187 4.340 0.000 0.000 0.208 241 L C 2.441 179.427 176.870 0.194 0.000 1.083 241 L CA 1.071 56.015 54.840 0.174 0.000 0.753 241 L CB -0.572 41.695 42.059 0.347 0.000 0.893 241 L HN 0.000 nan 8.230 nan 0.000 0.436 242 V N -0.696 119.332 119.914 0.190 0.000 2.222 242 V HA -0.289 3.831 4.120 0.000 0.000 0.240 242 V C 2.567 178.744 176.094 0.138 0.000 1.040 242 V CA 1.514 63.921 62.300 0.179 0.000 0.988 242 V CB -1.732 30.218 31.823 0.211 0.000 0.633 242 V HN 0.527 nan 8.190 nan 0.000 0.452 243 A N 1.239 124.095 122.820 0.060 0.000 1.762 243 A HA -0.286 4.034 4.320 0.000 0.000 0.285 243 A C 1.710 179.349 177.584 0.091 0.000 2.926 243 A CA 2.609 54.677 52.037 0.051 0.000 0.873 243 A CB -1.797 17.202 19.000 -0.002 0.000 0.820 243 A HN 1.268 nan 8.150 nan 0.000 0.524 244 G N -3.590 105.262 108.800 0.087 0.000 2.607 244 G HA2 0.498 4.458 3.960 0.000 0.000 0.332 244 G HA3 0.498 4.458 3.960 0.000 0.000 0.332 244 G C 0.069 175.081 174.900 0.186 0.000 1.046 244 G CA 0.787 45.953 45.100 0.109 0.000 1.099 244 G HN 0.739 nan 8.290 nan 0.000 0.451 245 H N 1.724 120.851 119.070 0.096 0.000 1.828 245 H HA -0.090 4.466 4.556 0.000 0.000 0.120 245 H C 1.198 176.622 175.328 0.160 0.000 1.214 245 H CA 0.731 56.854 56.048 0.125 0.000 0.860 245 H CB 0.054 29.907 29.762 0.152 0.000 0.458 245 H HN 0.519 nan 8.280 nan 0.000 0.226 246 E N 1.817 122.276 120.200 0.431 0.000 2.494 246 E HA 0.061 4.411 4.350 0.000 0.000 0.193 246 E C 0.604 177.347 176.600 0.239 0.000 1.074 246 E CA 1.095 57.696 56.400 0.334 0.000 0.867 246 E CB 0.059 29.891 29.700 0.221 0.000 0.924 246 E HN 0.526 nan 8.360 nan 0.000 0.502 247 T N -2.166 112.506 114.554 0.196 0.000 2.969 247 T HA 0.103 4.453 4.350 0.000 0.000 0.250 247 T C 1.696 176.465 174.700 0.115 0.000 1.021 247 T CA 0.383 62.562 62.100 0.132 0.000 1.003 247 T CB 0.315 69.247 68.868 0.105 0.000 1.040 247 T HN 0.030 nan 8.240 nan 0.000 0.492 248 T N 1.713 116.342 114.554 0.126 0.000 3.042 248 T HA 0.158 4.508 4.350 0.000 0.000 0.245 248 T C 1.758 176.513 174.700 0.092 0.000 1.029 248 T CA 0.195 62.351 62.100 0.093 0.000 1.120 248 T CB -0.037 68.867 68.868 0.060 0.000 0.917 248 T HN 0.122 nan 8.240 nan 0.000 0.467 249 V N 3.045 123.037 119.914 0.129 0.000 3.541 249 V HA 0.058 4.179 4.120 0.000 0.000 0.272 249 V C 1.478 177.665 176.094 0.154 0.000 1.215 249 V CA 0.953 63.352 62.300 0.164 0.000 1.176 249 V CB -0.773 31.232 31.823 0.303 0.000 0.854 249 V HN 0.420 nan 8.190 nan 0.000 0.496 250 N N -0.873 117.905 118.700 0.131 0.000 2.486 250 N HA 0.113 4.854 4.740 0.000 0.000 0.242 250 N C 1.415 176.981 175.510 0.092 0.000 1.083 250 N CA 0.279 53.390 53.050 0.103 0.000 0.844 250 N CB 0.322 38.885 38.487 0.126 0.000 1.527 250 N HN 0.379 nan 8.380 nan 0.000 0.462 251 L N 2.477 123.753 121.223 0.088 0.000 1.944 251 L HA -0.037 4.303 4.340 0.000 0.000 0.218 251 L C 1.923 178.843 176.870 0.084 0.000 1.075 251 L CA 1.707 56.594 54.840 0.077 0.000 0.767 251 L CB -1.039 41.056 42.059 0.061 0.000 0.890 251 L HN 0.073 nan 8.230 nan 0.000 0.434 252 I N 0.173 120.790 120.570 0.079 0.000 2.147 252 I HA -0.424 3.746 4.170 0.000 0.000 0.245 252 I C 2.606 178.770 176.117 0.077 0.000 1.059 252 I CA 1.802 63.147 61.300 0.074 0.000 1.320 252 I CB -1.007 37.030 38.000 0.062 0.000 1.021 252 I HN 0.535 nan 8.210 nan 0.000 0.415 253 A N 0.484 123.350 122.820 0.076 0.000 1.855 253 A HA -0.160 4.160 4.320 0.000 0.000 0.213 253 A C 2.041 179.690 177.584 0.108 0.000 1.195 253 A CA 1.881 53.961 52.037 0.071 0.000 0.610 253 A CB -0.832 18.186 19.000 0.029 0.000 0.837 253 A HN 0.405 nan 8.150 nan 0.000 0.444 254 N N -0.031 118.741 118.700 0.120 0.000 2.348 254 N HA -0.073 4.667 4.740 0.000 0.000 0.185 254 N C 1.578 177.182 175.510 0.157 0.000 1.019 254 N CA 1.312 54.485 53.050 0.206 0.000 0.880 254 N CB -0.186 38.421 38.487 0.199 0.000 0.965 254 N HN 0.486 nan 8.380 nan 0.000 0.437 255 G N 0.011 108.874 108.800 0.106 0.000 2.425 255 G HA2 -0.144 3.816 3.960 0.000 0.000 0.213 255 G HA3 -0.144 3.816 3.960 0.000 0.000 0.213 255 G C 1.366 176.295 174.900 0.048 0.000 1.201 255 G CA 0.409 45.553 45.100 0.072 0.000 0.799 255 G HN 0.061 nan 8.290 nan 0.000 0.534 256 M N 0.141 119.790 119.600 0.081 0.000 2.082 256 M HA -0.106 4.375 4.480 0.000 0.000 0.258 256 M C 2.384 178.732 176.300 0.081 0.000 1.071 256 M CA 1.195 56.544 55.300 0.083 0.000 1.103 256 M CB -1.676 30.982 32.600 0.096 0.000 1.307 256 M HN 0.375 nan 8.290 nan 0.000 0.409 257 Y N 1.353 121.667 120.300 0.022 0.000 2.069 257 Y HA -0.281 4.269 4.550 0.000 0.000 0.278 257 Y C 2.416 178.332 175.900 0.027 0.000 1.175 257 Y CA 2.266 60.383 58.100 0.029 0.000 1.134 257 Y CB -1.070 37.411 38.460 0.036 0.000 0.965 257 Y HN 0.219 nan 8.280 nan 0.000 0.498 258 A N 0.298 122.826 122.820 -0.485 0.000 1.873 258 A HA -0.237 4.084 4.320 0.000 0.000 0.218 258 A C 2.312 179.537 177.584 -0.599 0.000 1.193 258 A CA 2.220 53.814 52.037 -0.739 0.000 0.629 258 A CB -1.405 17.169 19.000 -0.710 0.000 0.826 258 A HN 0.530 nan 8.150 nan 0.000 0.447 259 L N -0.468 120.597 121.223 -0.262 0.000 2.005 259 L HA -0.070 4.270 4.340 0.000 0.000 0.207 259 L C 2.380 179.274 176.870 0.041 0.000 1.072 259 L CA 1.541 56.418 54.840 0.061 0.000 0.744 259 L CB -0.542 41.597 42.059 0.133 0.000 0.895 259 L HN 0.422 nan 8.230 nan 0.000 0.433 260 L N -0.805 120.418 121.223 0.000 0.000 2.456 260 L HA -0.232 4.108 4.340 0.000 0.000 0.225 260 L C 2.163 179.042 176.870 0.015 0.000 1.142 260 L CA 1.332 56.193 54.840 0.036 0.000 0.796 260 L CB -0.663 41.444 42.059 0.080 0.000 0.920 260 L HN 0.496 nan 8.230 nan 0.000 0.446 261 S N -3.561 112.105 115.700 -0.056 0.000 2.505 261 S HA 0.018 4.488 4.470 0.000 0.000 0.216 261 S C 0.683 175.276 174.600 -0.013 0.000 1.018 261 S CA -0.336 57.840 58.200 -0.039 0.000 0.911 261 S CB -0.017 63.091 63.200 -0.152 0.000 0.818 261 S HN 0.360 nan 8.310 nan 0.000 0.497 262 H N 2.277 121.333 119.070 -0.023 0.000 2.369 262 H HA 0.455 5.011 4.556 0.000 0.000 0.228 262 H C -2.147 173.219 175.328 0.063 0.000 1.548 262 H CA -2.029 54.057 56.048 0.063 0.000 1.275 262 H CB 0.562 30.461 29.762 0.229 0.000 1.549 262 H HN 0.211 nan 8.280 nan 0.000 0.542 263 P HA -0.272 nan 4.420 nan 0.000 0.219 263 P C 1.167 178.501 177.300 0.055 0.000 1.153 263 P CA 1.506 64.640 63.100 0.057 0.000 0.865 263 P CB 0.460 32.173 31.700 0.021 0.000 0.788 264 D N -1.435 118.997 120.400 0.053 0.000 2.117 264 D HA -0.155 4.485 4.640 0.000 0.000 0.197 264 D C 1.996 178.309 176.300 0.020 0.000 0.987 264 D CA 1.096 55.114 54.000 0.030 0.000 0.829 264 D CB -0.233 40.580 40.800 0.022 0.000 0.961 264 D HN 0.222 nan 8.370 nan 0.000 0.460 265 Q N 0.239 120.068 119.800 0.048 0.000 2.137 265 Q HA -0.039 4.301 4.340 0.000 0.000 0.198 265 Q C 2.270 178.277 176.000 0.013 0.000 0.960 265 Q CA 0.215 55.999 55.803 -0.032 0.000 0.847 265 Q CB -0.539 28.117 28.738 -0.136 0.000 0.915 265 Q HN 0.249 nan 8.270 nan 0.000 0.448 266 L N 0.860 122.134 121.223 0.085 0.000 1.994 266 L HA -0.020 4.320 4.340 0.000 0.000 0.208 266 L C 2.042 178.935 176.870 0.038 0.000 1.071 266 L CA 2.246 57.130 54.840 0.075 0.000 0.745 266 L CB -1.227 40.886 42.059 0.090 0.000 0.892 266 L HN 0.119 nan 8.230 nan 0.000 0.431 267 A N -0.447 122.392 122.820 0.032 0.000 1.978 267 A HA -0.096 4.224 4.320 0.000 0.000 0.220 267 A C 2.406 179.992 177.584 0.003 0.000 1.170 267 A CA 1.879 53.927 52.037 0.018 0.000 0.636 267 A CB -1.118 17.892 19.000 0.016 0.000 0.810 267 A HN 0.626 nan 8.150 nan 0.000 0.448 268 A N -0.027 122.788 122.820 -0.009 0.000 1.829 268 A HA -0.086 4.234 4.320 0.000 0.000 0.216 268 A C 2.160 179.730 177.584 -0.022 0.000 1.207 268 A CA 1.854 53.875 52.037 -0.026 0.000 0.622 268 A CB -1.041 17.926 19.000 -0.055 0.000 0.846 268 A HN 0.892 nan 8.150 nan 0.000 0.447 269 L N -0.865 120.342 121.223 -0.026 0.000 1.989 269 L HA -0.195 4.145 4.340 0.000 0.000 0.211 269 L C 2.422 179.291 176.870 -0.002 0.000 1.071 269 L CA 2.431 57.261 54.840 -0.017 0.000 0.749 269 L CB -0.633 41.418 42.059 -0.014 0.000 0.890 269 L HN 0.395 nan 8.230 nan 0.000 0.431 270 R N -0.119 120.386 120.500 0.008 0.000 2.292 270 R HA -0.302 4.038 4.340 0.000 0.000 0.268 270 R C 1.849 178.156 176.300 0.010 0.000 1.150 270 R CA 1.939 58.048 56.100 0.016 0.000 0.993 270 R CB -1.183 29.130 30.300 0.022 0.000 0.901 270 R HN 0.676 nan 8.270 nan 0.000 0.470 271 A N 0.042 122.864 122.820 0.004 0.000 1.849 271 A HA -0.052 4.268 4.320 0.000 0.000 0.214 271 A C 0.786 178.370 177.584 -0.000 0.000 1.269 271 A CA 0.953 52.991 52.037 0.002 0.000 0.605 271 A CB -0.420 18.579 19.000 -0.002 0.000 0.937 271 A HN 0.433 nan 8.150 nan 0.000 0.461 272 D N -1.940 118.458 120.400 -0.005 0.000 2.294 272 D HA 0.406 5.046 4.640 0.000 0.000 0.250 272 D C 0.547 176.844 176.300 -0.006 0.000 1.058 272 D CA -0.339 53.658 54.000 -0.006 0.000 0.950 272 D CB 0.606 41.401 40.800 -0.009 0.000 1.158 272 D HN 0.064 nan 8.370 nan 0.000 0.453 273 M N 1.277 120.874 119.600 -0.004 0.000 2.333 273 M HA 0.041 4.521 4.480 0.000 0.000 0.257 273 M C 1.539 177.837 176.300 -0.004 0.000 1.078 273 M CA 0.274 55.572 55.300 -0.002 0.000 1.005 273 M CB -0.977 31.624 32.600 0.001 0.000 1.444 273 M HN 0.642 nan 8.290 nan 0.000 0.496 274 T N -1.909 112.641 114.554 -0.007 0.000 3.139 274 T HA 0.021 4.371 4.350 0.000 0.000 0.267 274 T C 1.232 175.926 174.700 -0.011 0.000 1.164 274 T CA 0.783 62.879 62.100 -0.007 0.000 1.075 274 T CB -0.471 68.391 68.868 -0.009 0.000 0.904 274 T HN 0.446 nan 8.240 nan 0.000 0.540 275 L N -0.176 121.038 121.223 -0.015 0.000 3.016 275 L HA 0.415 4.756 4.340 0.000 0.000 0.267 275 L C 1.718 178.579 176.870 -0.016 0.000 1.182 275 L CA -0.273 54.553 54.840 -0.024 0.000 0.997 275 L CB 0.244 42.277 42.059 -0.043 0.000 1.354 275 L HN 0.175 nan 8.230 nan 0.000 0.569 276 L N 0.736 121.958 121.223 -0.002 0.000 2.610 276 L HA 0.019 4.359 4.340 0.000 0.000 0.232 276 L C 0.439 177.322 176.870 0.021 0.000 1.149 276 L CA 1.462 56.308 54.840 0.010 0.000 0.872 276 L CB -0.310 41.757 42.059 0.013 0.000 0.992 276 L HN 0.370 nan 8.230 nan 0.000 0.447 277 D N -1.566 118.845 120.400 0.018 0.000 2.502 277 D HA 0.106 4.746 4.640 0.000 0.000 0.232 277 D C 1.740 178.057 176.300 0.028 0.000 1.137 277 D CA 0.744 54.763 54.000 0.032 0.000 0.827 277 D CB 0.626 41.445 40.800 0.031 0.000 1.141 277 D HN 0.358 nan 8.370 nan 0.000 0.517 278 G N 0.959 109.761 108.800 0.003 0.000 2.656 278 G HA2 0.214 4.174 3.960 0.000 0.000 0.211 278 G HA3 0.214 4.174 3.960 0.000 0.000 0.211 278 G C 1.549 176.422 174.900 -0.045 0.000 1.137 278 G CA 0.726 45.816 45.100 -0.017 0.000 0.802 278 G HN 0.281 nan 8.290 nan 0.000 0.527 279 A N 0.695 123.492 122.820 -0.039 0.000 1.855 279 A HA 0.150 4.470 4.320 0.000 0.000 0.213 279 A C 2.426 180.014 177.584 0.006 0.000 1.195 279 A CA 1.501 53.505 52.037 -0.054 0.000 0.610 279 A CB -0.752 18.231 19.000 -0.028 0.000 0.837 279 A HN 0.215 nan 8.150 nan 0.000 0.444 280 V N 0.806 120.745 119.914 0.042 0.000 2.660 280 V HA -0.249 3.871 4.120 0.000 0.000 0.257 280 V C 2.453 178.585 176.094 0.064 0.000 1.088 280 V CA 2.123 64.466 62.300 0.072 0.000 1.106 280 V CB -0.844 31.031 31.823 0.086 0.000 0.686 280 V HN 0.489 nan 8.190 nan 0.000 0.481 281 E N 0.034 120.251 120.200 0.028 0.000 2.021 281 E HA -0.186 4.164 4.350 0.000 0.000 0.189 281 E C 2.255 178.764 176.600 -0.151 0.000 0.980 281 E CA 1.182 57.568 56.400 -0.023 0.000 0.803 281 E CB -0.246 29.438 29.700 -0.027 0.000 0.766 281 E HN 0.640 nan 8.360 nan 0.000 0.449 282 E N 1.002 121.123 120.200 -0.132 0.000 2.130 282 E HA -0.158 4.192 4.350 0.000 0.000 0.196 282 E C 2.029 178.652 176.600 0.039 0.000 0.998 282 E CA 1.261 57.581 56.400 -0.133 0.000 0.806 282 E CB -0.260 29.326 29.700 -0.190 0.000 0.738 282 E HN 0.186 nan 8.360 nan 0.000 0.459 283 M N -0.522 119.156 119.600 0.131 0.000 2.267 283 M HA -0.141 4.339 4.480 0.000 0.000 0.263 283 M C 1.672 178.023 176.300 0.085 0.000 1.063 283 M CA 1.053 56.461 55.300 0.181 0.000 1.090 283 M CB -0.095 32.592 32.600 0.145 0.000 1.392 283 M HN 0.158 nan 8.290 nan 0.000 0.422 284 L N -1.204 120.015 121.223 -0.007 0.000 2.567 284 L HA 0.005 4.346 4.340 0.000 0.000 0.225 284 L C 2.480 179.291 176.870 -0.098 0.000 1.119 284 L CA 0.227 55.044 54.840 -0.039 0.000 0.871 284 L CB -0.239 41.792 42.059 -0.046 0.000 1.036 284 L HN 0.275 nan 8.230 nan 0.000 0.459 285 R N -1.325 119.023 120.500 -0.253 0.000 2.195 285 R HA -0.074 4.266 4.340 0.000 0.000 0.197 285 R C 2.103 178.301 176.300 -0.171 0.000 0.990 285 R CA 0.470 56.254 56.100 -0.526 0.000 1.048 285 R CB 0.137 30.013 30.300 -0.706 0.000 0.997 285 R HN 0.151 nan 8.270 nan 0.000 0.502 286 Y N 1.202 121.405 120.300 -0.161 0.000 2.163 286 Y HA 0.091 4.641 4.550 0.000 0.000 0.288 286 Y C 0.682 176.574 175.900 -0.013 0.000 1.112 286 Y CA 1.151 59.191 58.100 -0.100 0.000 1.104 286 Y CB 0.545 38.983 38.460 -0.035 0.000 1.016 286 Y HN -0.120 nan 8.280 nan 0.000 0.497 287 E N 0.930 121.161 120.200 0.051 0.000 3.582 287 E HA 0.242 4.592 4.350 0.000 0.000 0.217 287 E C -0.301 176.351 176.600 0.087 0.000 1.092 287 E CA -0.102 56.305 56.400 0.011 0.000 1.365 287 E CB 0.182 29.896 29.700 0.024 0.000 1.278 287 E HN 0.425 nan 8.360 nan 0.000 0.439 288 G N 2.731 111.596 108.800 0.109 0.000 2.340 288 G HA2 0.049 4.009 3.960 0.000 0.000 0.245 288 G HA3 0.049 4.009 3.960 0.000 0.000 0.245 288 G C -1.087 173.843 174.900 0.051 0.000 1.294 288 G CA -0.739 44.406 45.100 0.076 0.000 0.896 288 G HN 0.053 nan 8.290 nan 0.000 0.522 289 P HA -0.066 nan 4.420 nan 0.000 0.231 289 P C 0.254 177.585 177.300 0.052 0.000 1.158 289 P CA 0.491 63.632 63.100 0.068 0.000 0.763 289 P CB 0.260 32.005 31.700 0.075 0.000 0.805 290 V N 1.356 121.270 119.914 -0.000 0.000 2.275 290 V HA 0.149 4.269 4.120 0.000 0.000 0.272 290 V C 1.713 177.771 176.094 -0.059 0.000 1.028 290 V CA -0.197 62.091 62.300 -0.021 0.000 0.810 290 V CB 0.625 32.417 31.823 -0.052 0.000 1.043 290 V HN -0.001 nan 8.190 nan 0.000 0.453 291 E N 2.749 122.927 120.200 -0.037 0.000 2.265 291 E HA -0.056 4.294 4.350 0.000 0.000 0.196 291 E C 0.175 176.702 176.600 -0.122 0.000 0.996 291 E CA 0.702 57.056 56.400 -0.077 0.000 0.832 291 E CB 0.332 30.016 29.700 -0.026 0.000 0.756 291 E HN 0.698 nan 8.360 nan 0.000 0.491 292 S N -1.093 114.547 115.700 -0.100 0.000 2.570 292 S HA 0.472 4.942 4.470 0.000 0.000 0.286 292 S C -0.813 173.714 174.600 -0.122 0.000 1.143 292 S CA -0.532 57.593 58.200 -0.126 0.000 0.921 292 S CB 1.561 64.710 63.200 -0.085 0.000 1.108 292 S HN 0.346 nan 8.310 nan 0.000 0.456 293 A N 2.237 124.975 122.820 -0.137 0.000 2.387 293 A HA 0.629 4.949 4.320 0.000 0.000 0.251 293 A C 1.078 178.540 177.584 -0.205 0.000 1.113 293 A CA 0.311 52.262 52.037 -0.145 0.000 0.794 293 A CB -0.487 18.434 19.000 -0.132 0.000 1.069 293 A HN 1.106 nan 8.150 nan 0.000 0.506 294 T N -2.132 112.291 114.554 -0.218 0.000 2.667 294 T HA 0.321 4.671 4.350 0.000 0.000 0.305 294 T C -0.134 174.355 174.700 -0.350 0.000 1.022 294 T CA 0.091 62.002 62.100 -0.315 0.000 0.995 294 T CB -0.141 68.603 68.868 -0.206 0.000 1.026 294 T HN 0.314 nan 8.240 nan 0.000 0.527 295 Y N 0.763 120.890 120.300 -0.288 0.000 2.526 295 Y HA 0.396 4.946 4.550 0.000 0.000 0.330 295 Y C 1.274 176.625 175.900 -0.916 0.000 1.156 295 Y CA -0.339 57.416 58.100 -0.574 0.000 1.419 295 Y CB 0.233 38.287 38.460 -0.676 0.000 1.250 295 Y HN 0.492 nan 8.280 nan 0.000 0.540 296 R N 3.149 123.244 120.500 -0.674 0.000 2.686 296 R HA 0.615 4.956 4.340 0.000 0.000 0.286 296 R C -1.843 174.006 176.300 -0.752 0.000 0.969 296 R CA -0.841 54.887 56.100 -0.620 0.000 0.898 296 R CB 1.491 31.722 30.300 -0.114 0.000 1.183 296 R HN 0.461 nan 8.270 nan 0.000 0.456 297 F N 2.575 122.484 119.950 -0.068 0.000 2.539 297 F HA 0.374 4.901 4.527 0.000 0.000 0.328 297 F C -2.092 173.569 175.800 -0.233 0.000 1.148 297 F CA -2.903 55.000 58.000 -0.162 0.000 0.940 297 F CB 1.426 40.303 39.000 -0.204 0.000 1.194 297 F HN 0.248 nan 8.300 nan 0.000 0.438 298 P HA -0.017 nan 4.420 nan 0.000 0.265 298 P C 0.288 177.449 177.300 -0.231 0.000 1.193 298 P CA 0.026 62.822 63.100 -0.507 0.000 0.765 298 P CB 1.587 32.827 31.700 -0.766 0.000 0.823 299 V N 0.595 120.402 119.914 -0.179 0.000 3.351 299 V HA 0.335 4.455 4.120 0.000 0.000 0.364 299 V C 0.953 176.980 176.094 -0.111 0.000 1.219 299 V CA 1.408 63.650 62.300 -0.097 0.000 1.382 299 V CB -2.079 29.714 31.823 -0.051 0.000 1.203 299 V HN 0.954 nan 8.190 nan 0.000 0.448 300 E N -0.344 119.764 120.200 -0.153 0.000 3.912 300 E HA 0.294 4.644 4.350 0.000 0.000 0.410 300 E C -3.279 173.208 176.600 -0.187 0.000 1.265 300 E CA -1.101 55.218 56.400 -0.135 0.000 1.918 300 E CB -0.698 28.941 29.700 -0.101 0.000 1.129 300 E HN 0.151 nan 8.360 nan 0.000 0.347 301 P HA 0.411 nan 4.420 nan 0.000 0.265 301 P C -0.605 176.580 177.300 -0.192 0.000 1.193 301 P CA -0.143 62.854 63.100 -0.171 0.000 0.765 301 P CB 0.869 32.502 31.700 -0.112 0.000 0.823 302 V N 3.667 123.434 119.914 -0.246 0.000 2.444 302 V HA 0.230 4.351 4.120 0.000 0.000 0.294 302 V C -0.109 175.907 176.094 -0.130 0.000 1.022 302 V CA -0.543 61.637 62.300 -0.200 0.000 0.850 302 V CB 1.844 33.480 31.823 -0.312 0.000 0.992 302 V HN 0.502 nan 8.190 nan 0.000 0.426 303 D N 5.603 125.963 120.400 -0.068 0.000 2.313 303 D HA 0.393 5.034 4.640 0.000 0.000 0.239 303 D C -0.876 175.417 176.300 -0.011 0.000 1.142 303 D CA -0.091 53.885 54.000 -0.041 0.000 0.847 303 D CB 1.184 41.968 40.800 -0.027 0.000 1.082 303 D HN 0.415 nan 8.370 nan 0.000 0.480 304 L N 3.495 124.710 121.223 -0.013 0.000 2.343 304 L HA 0.204 4.544 4.340 0.000 0.000 0.278 304 L C 0.139 177.013 176.870 0.006 0.000 0.996 304 L CA -1.041 53.800 54.840 0.003 0.000 0.831 304 L CB 1.482 43.541 42.059 -0.000 0.000 1.232 304 L HN 0.423 nan 8.230 nan 0.000 0.413 305 D N 3.561 123.969 120.400 0.013 0.000 3.126 305 D HA -0.163 4.477 4.640 0.000 0.000 0.197 305 D C 1.281 177.596 176.300 0.026 0.000 1.254 305 D CA 1.705 55.718 54.000 0.021 0.000 0.785 305 D CB -0.085 40.731 40.800 0.028 0.000 0.861 305 D HN 0.947 nan 8.370 nan 0.000 0.392 306 G N 1.935 110.748 108.800 0.022 0.000 4.148 306 G HA2 -0.389 3.572 3.960 0.000 0.000 0.221 306 G HA3 -0.389 3.572 3.960 0.000 0.000 0.221 306 G C 0.680 175.597 174.900 0.028 0.000 1.373 306 G CA 0.430 45.547 45.100 0.028 0.000 0.940 306 G HN 0.883 nan 8.290 nan 0.000 0.610 307 T N 1.320 115.895 114.554 0.036 0.000 2.891 307 T HA 0.389 4.739 4.350 0.000 0.000 0.296 307 T C 0.051 174.741 174.700 -0.017 0.000 1.025 307 T CA 0.778 62.904 62.100 0.043 0.000 1.149 307 T CB 1.803 70.701 68.868 0.049 0.000 1.007 307 T HN 1.090 nan 8.240 nan 0.000 0.528 308 V N 5.104 124.995 119.914 -0.038 0.000 2.439 308 V HA 0.294 4.415 4.120 0.000 0.000 0.277 308 V C 0.064 176.013 176.094 -0.242 0.000 1.008 308 V CA -0.784 61.447 62.300 -0.116 0.000 0.846 308 V CB 0.833 32.622 31.823 -0.057 0.000 1.031 308 V HN 0.782 nan 8.190 nan 0.000 0.441 309 I N 7.598 127.887 120.570 -0.467 0.000 2.471 309 I HA 0.301 4.472 4.170 0.000 0.000 0.286 309 I C -1.787 174.082 176.117 -0.412 0.000 1.079 309 I CA -1.453 59.404 61.300 -0.738 0.000 1.398 309 I CB 1.133 38.516 38.000 -1.029 0.000 1.403 309 I HN 0.366 nan 8.210 nan 0.000 0.530 310 P HA 0.204 nan 4.420 nan 0.000 0.278 310 P C -0.515 176.683 177.300 -0.169 0.000 1.258 310 P CA -0.450 62.554 63.100 -0.160 0.000 0.811 310 P CB 0.930 32.595 31.700 -0.059 0.000 1.063 311 A N 0.761 123.501 122.820 -0.133 0.000 2.547 311 A HA 0.371 4.691 4.320 0.000 0.000 0.233 311 A C 1.567 179.104 177.584 -0.078 0.000 1.067 311 A CA 1.086 53.051 52.037 -0.119 0.000 0.763 311 A CB -1.619 17.326 19.000 -0.091 0.000 1.007 311 A HN 0.900 nan 8.150 nan 0.000 0.506 312 G N 1.116 109.879 108.800 -0.062 0.000 2.396 312 G HA2 -0.263 3.698 3.960 0.000 0.000 0.242 312 G HA3 -0.263 3.698 3.960 0.000 0.000 0.242 312 G C 0.167 175.082 174.900 0.024 0.000 1.069 312 G CA 0.659 45.736 45.100 -0.037 0.000 0.633 312 G HN 0.961 nan 8.290 nan 0.000 0.517 313 D N 1.834 122.240 120.400 0.012 0.000 2.506 313 D HA 0.437 5.077 4.640 0.000 0.000 0.234 313 D C 0.731 177.098 176.300 0.112 0.000 1.143 313 D CA 0.986 55.030 54.000 0.073 0.000 0.871 313 D CB 0.632 41.401 40.800 -0.050 0.000 1.190 313 D HN 0.178 nan 8.370 nan 0.000 0.459 314 T N 1.791 116.445 114.554 0.166 0.000 2.817 314 T HA 0.430 4.781 4.350 0.000 0.000 0.293 314 T C -0.182 174.593 174.700 0.123 0.000 0.964 314 T CA -0.553 61.584 62.100 0.062 0.000 1.085 314 T CB 0.807 69.585 68.868 -0.151 0.000 0.921 314 T HN -0.024 nan 8.240 nan 0.000 0.502 315 V N 5.169 125.105 119.914 0.037 0.000 2.604 315 V HA 0.514 4.634 4.120 0.000 0.000 0.305 315 V C -0.473 175.703 176.094 0.136 0.000 1.043 315 V CA -0.872 61.517 62.300 0.148 0.000 0.888 315 V CB 1.837 33.761 31.823 0.168 0.000 0.995 315 V HN 0.713 nan 8.190 nan 0.000 0.429 316 L N 4.731 126.043 121.223 0.149 0.000 2.349 316 L HA 0.571 4.911 4.340 0.000 0.000 0.278 316 L C -0.436 176.425 176.870 -0.016 0.000 0.996 316 L CA -0.801 54.069 54.840 0.050 0.000 0.825 316 L CB 1.986 44.094 42.059 0.082 0.000 1.243 316 L HN 0.348 nan 8.230 nan 0.000 0.412 317 V N 3.917 123.774 119.914 -0.094 0.000 2.614 317 V HA 0.106 4.226 4.120 0.000 0.000 0.291 317 V C 0.370 176.376 176.094 -0.147 0.000 1.049 317 V CA -0.444 61.778 62.300 -0.131 0.000 1.038 317 V CB 1.740 33.464 31.823 -0.165 0.000 0.980 317 V HN 0.457 nan 8.190 nan 0.000 0.481 318 V N 6.625 126.428 119.914 -0.184 0.000 2.218 318 V HA 0.186 4.306 4.120 0.000 0.000 0.261 318 V C 1.276 177.182 176.094 -0.313 0.000 1.142 318 V CA -0.207 61.910 62.300 -0.306 0.000 0.965 318 V CB 0.009 31.523 31.823 -0.515 0.000 1.190 318 V HN 0.771 nan 8.190 nan 0.000 0.478 319 L N 1.948 123.002 121.223 -0.283 0.000 2.211 319 L HA -0.278 4.062 4.340 0.000 0.000 0.216 319 L C 2.671 179.258 176.870 -0.473 0.000 1.092 319 L CA 1.850 56.462 54.840 -0.379 0.000 0.767 319 L CB -0.647 41.175 42.059 -0.394 0.000 0.894 319 L HN 0.692 nan 8.230 nan 0.000 0.437 320 A N 0.573 123.185 122.820 -0.347 0.000 1.834 320 A HA -0.312 4.008 4.320 0.000 0.000 0.216 320 A C 2.023 179.598 177.584 -0.014 0.000 1.203 320 A CA 2.122 54.052 52.037 -0.178 0.000 0.621 320 A CB -0.882 17.973 19.000 -0.241 0.000 0.841 320 A HN 0.429 nan 8.150 nan 0.000 0.446 321 D N -0.245 120.077 120.400 -0.129 0.000 2.133 321 D HA -0.166 4.475 4.640 0.000 0.000 0.192 321 D C 2.020 178.404 176.300 0.141 0.000 1.001 321 D CA 2.273 56.312 54.000 0.065 0.000 0.844 321 D CB -0.361 40.431 40.800 -0.014 0.000 0.944 321 D HN 0.373 nan 8.370 nan 0.000 0.447 322 A N -0.367 122.524 122.820 0.118 0.000 1.917 322 A HA -0.238 4.082 4.320 0.000 0.000 0.219 322 A C 2.072 179.922 177.584 0.443 0.000 1.182 322 A CA 1.897 54.133 52.037 0.332 0.000 0.633 322 A CB -1.192 18.014 19.000 0.343 0.000 0.819 322 A HN 0.613 nan 8.150 nan 0.000 0.448 323 H N -1.582 117.554 119.070 0.110 0.000 2.563 323 H HA 0.103 4.659 4.556 0.000 0.000 0.272 323 H C 0.580 175.783 175.328 -0.209 0.000 1.005 323 H CA 0.136 56.093 56.048 -0.152 0.000 1.171 323 H CB 0.238 29.925 29.762 -0.125 0.000 1.351 323 H HN 0.299 nan 8.280 nan 0.000 0.602 324 R N 0.577 121.132 120.500 0.091 0.000 2.642 324 R HA 0.132 4.473 4.340 0.000 0.000 0.435 324 R C -0.472 175.863 176.300 0.058 0.000 1.046 324 R CA -0.028 56.040 56.100 -0.053 0.000 1.103 324 R CB 0.952 31.227 30.300 -0.042 0.000 1.425 324 R HN -0.029 nan 8.270 nan 0.000 0.586 325 T N 2.581 117.241 114.554 0.177 0.000 2.728 325 T HA 0.174 4.524 4.350 0.000 0.000 0.296 325 T C -1.792 172.992 174.700 0.141 0.000 0.940 325 T CA -1.425 60.782 62.100 0.177 0.000 1.013 325 T CB 1.918 70.915 68.868 0.216 0.000 0.912 325 T HN -0.111 nan 8.240 nan 0.000 0.484 326 P HA -0.168 nan 4.420 nan 0.000 0.216 326 P C 1.230 178.544 177.300 0.024 0.000 1.157 326 P CA 1.140 64.281 63.100 0.068 0.000 0.880 326 P CB 0.329 32.073 31.700 0.074 0.000 0.791 327 E N -0.687 119.517 120.200 0.007 0.000 1.995 327 E HA -0.183 4.168 4.350 0.000 0.000 0.207 327 E C 2.164 178.676 176.600 -0.146 0.000 1.016 327 E CA 1.201 57.574 56.400 -0.044 0.000 0.865 327 E CB -0.684 29.001 29.700 -0.025 0.000 0.797 327 E HN -0.007 nan 8.360 nan 0.000 0.491 328 R N -0.403 119.936 120.500 -0.268 0.000 2.154 328 R HA -0.112 4.228 4.340 0.000 0.000 0.248 328 R C 0.343 176.124 176.300 -0.864 0.000 1.155 328 R CA 1.032 56.731 56.100 -0.669 0.000 0.979 328 R CB -0.366 29.268 30.300 -1.109 0.000 0.869 328 R HN 0.218 nan 8.270 nan 0.000 0.452 329 F N 0.261 120.111 119.950 -0.166 0.000 2.622 329 F HA 0.333 4.861 4.527 0.000 0.000 0.338 329 F C -2.199 173.544 175.800 -0.096 0.000 1.334 329 F CA -2.447 55.470 58.000 -0.138 0.000 1.179 329 F CB 1.434 40.343 39.000 -0.151 0.000 1.471 329 F HN -0.285 nan 8.300 nan 0.000 0.576 330 P HA -0.096 nan 4.420 nan 0.000 0.260 330 P C -0.003 177.321 177.300 0.039 0.000 1.172 330 P CA 1.010 64.127 63.100 0.028 0.000 0.760 330 P CB 0.344 32.043 31.700 -0.002 0.000 0.773 331 D N 3.805 124.230 120.400 0.042 0.000 2.848 331 D HA -0.123 4.517 4.640 0.000 0.000 0.245 331 D C -1.671 174.635 176.300 0.010 0.000 1.122 331 D CA 0.125 54.151 54.000 0.044 0.000 0.769 331 D CB -0.631 40.186 40.800 0.028 0.000 1.025 331 D HN 0.238 nan 8.370 nan 0.000 0.423 332 P HA -0.031 nan 4.420 nan 0.000 0.237 332 P C 0.414 177.519 177.300 -0.325 0.000 1.178 332 P CA 0.732 63.720 63.100 -0.186 0.000 0.766 332 P CB 0.200 31.763 31.700 -0.228 0.000 0.876 333 H N -0.683 118.423 119.070 0.060 0.000 2.472 333 H HA 0.322 4.879 4.556 0.000 0.000 0.287 333 H C 0.179 175.579 175.328 0.121 0.000 1.112 333 H CA -0.287 55.822 56.048 0.102 0.000 1.021 333 H CB 0.325 30.109 29.762 0.037 0.000 1.635 333 H HN 0.046 nan 8.280 nan 0.000 0.559 334 R N 0.831 121.384 120.500 0.089 0.000 2.388 334 R HA 0.130 4.470 4.340 0.000 0.000 0.314 334 R C -1.302 174.873 176.300 -0.207 0.000 0.959 334 R CA -0.714 55.385 56.100 -0.002 0.000 0.851 334 R CB 0.009 30.300 30.300 -0.015 0.000 1.168 334 R HN -0.049 nan 8.270 nan 0.000 0.472 335 F N 4.891 124.471 119.950 -0.617 0.000 2.640 335 F HA 0.301 4.828 4.527 0.000 0.000 0.354 335 F C -0.648 174.824 175.800 -0.546 0.000 1.213 335 F CA -1.031 56.337 58.000 -1.053 0.000 1.314 335 F CB -0.086 37.813 39.000 -1.835 0.000 1.679 335 F HN 0.524 nan 8.300 nan 0.000 0.622 336 D N 4.403 124.467 120.400 -0.559 0.000 2.280 336 D HA 0.090 4.730 4.640 0.000 0.000 0.243 336 D C 0.949 176.914 176.300 -0.559 0.000 1.129 336 D CA -0.343 53.375 54.000 -0.469 0.000 0.848 336 D CB 0.796 41.448 40.800 -0.246 0.000 1.107 336 D HN 0.614 nan 8.370 nan 0.000 0.471 337 I N 1.143 121.352 120.570 -0.602 0.000 3.764 337 I HA 0.279 4.449 4.170 0.000 0.000 0.312 337 I C 0.986 176.947 176.117 -0.259 0.000 1.340 337 I CA -0.151 60.865 61.300 -0.473 0.000 1.195 337 I CB 0.183 37.901 38.000 -0.470 0.000 1.068 337 I HN 0.136 nan 8.210 nan 0.000 0.421 338 R N 0.844 121.214 120.500 -0.217 0.000 2.507 338 R HA 0.252 4.592 4.340 0.000 0.000 0.230 338 R C 1.023 177.259 176.300 -0.107 0.000 0.897 338 R CA -0.500 55.519 56.100 -0.135 0.000 1.006 338 R CB 0.413 30.644 30.300 -0.116 0.000 1.341 338 R HN 0.393 nan 8.270 nan 0.000 0.604 339 R N 1.905 122.330 120.500 -0.125 0.000 2.802 339 R HA -0.113 4.227 4.340 0.000 0.000 0.264 339 R C -0.612 175.662 176.300 -0.044 0.000 0.996 339 R CA 0.621 56.674 56.100 -0.078 0.000 1.123 339 R CB 0.262 30.510 30.300 -0.087 0.000 0.996 339 R HN -0.183 nan 8.270 nan 0.000 0.444 340 D N 2.394 122.791 120.400 -0.004 0.000 2.455 340 D HA -0.019 4.622 4.640 0.000 0.000 0.234 340 D C 0.331 176.683 176.300 0.086 0.000 1.224 340 D CA 0.034 54.045 54.000 0.019 0.000 0.999 340 D CB 0.420 41.222 40.800 0.003 0.000 1.072 340 D HN 0.559 nan 8.370 nan 0.000 0.514 341 T N 0.736 115.313 114.554 0.038 0.000 3.650 341 T HA 0.242 4.592 4.350 0.000 0.000 0.254 341 T C 0.652 175.453 174.700 0.168 0.000 1.130 341 T CA -0.423 61.675 62.100 -0.003 0.000 0.984 341 T CB -0.392 68.385 68.868 -0.152 0.000 1.039 341 T HN 0.309 nan 8.240 nan 0.000 0.586 342 A N -0.080 122.873 122.820 0.222 0.000 2.290 342 A HA 0.724 5.044 4.320 0.000 0.000 0.310 342 A C 1.391 179.132 177.584 0.261 0.000 1.202 342 A CA -0.144 52.041 52.037 0.246 0.000 0.837 342 A CB 0.173 19.244 19.000 0.119 0.000 1.139 342 A HN 1.208 nan 8.150 nan 0.000 0.509 343 G N 1.561 110.555 108.800 0.323 0.000 2.195 343 G HA2 -0.214 3.747 3.960 0.000 0.000 0.224 343 G HA3 -0.214 3.747 3.960 0.000 0.000 0.224 343 G C 0.343 175.553 174.900 0.516 0.000 0.990 343 G CA 0.205 45.493 45.100 0.314 0.000 0.639 343 G HN 1.796 nan 8.290 nan 0.000 0.514 344 H N 0.402 119.712 119.070 0.400 0.000 2.895 344 H HA 0.378 4.934 4.556 0.000 0.000 0.371 344 H C 1.000 176.586 175.328 0.430 0.000 1.219 344 H CA 0.219 56.469 56.048 0.336 0.000 1.431 344 H CB 0.474 30.137 29.762 -0.165 0.000 1.414 344 H HN 0.257 nan 8.280 nan 0.000 0.617 345 L N 0.957 122.544 121.223 0.607 0.000 3.014 345 L HA 0.264 4.604 4.340 0.000 0.000 0.263 345 L C 2.193 179.221 176.870 0.263 0.000 1.207 345 L CA 0.163 55.199 54.840 0.326 0.000 1.017 345 L CB 0.130 42.314 42.059 0.209 0.000 1.360 345 L HN 0.724 nan 8.230 nan 0.000 0.560 346 A N 0.330 123.388 122.820 0.396 0.000 2.093 346 A HA -0.165 4.155 4.320 0.000 0.000 0.222 346 A C 1.740 179.235 177.584 -0.148 0.000 1.162 346 A CA 1.751 53.924 52.037 0.226 0.000 0.655 346 A CB -0.519 18.695 19.000 0.357 0.000 0.805 346 A HN 0.480 nan 8.150 nan 0.000 0.461 347 F N -1.703 118.205 119.950 -0.069 0.000 2.678 347 F HA 0.409 4.936 4.527 0.000 0.000 0.305 347 F C 1.511 177.014 175.800 -0.495 0.000 1.090 347 F CA 0.494 58.286 58.000 -0.347 0.000 1.272 347 F CB 0.679 39.334 39.000 -0.576 0.000 1.060 347 F HN 0.521 nan 8.300 nan 0.000 0.576 348 G N 0.221 109.005 108.800 -0.027 0.000 2.418 348 G HA2 -0.010 3.950 3.960 0.000 0.000 0.206 348 G HA3 -0.010 3.950 3.960 0.000 0.000 0.206 348 G C -1.571 173.523 174.900 0.323 0.000 1.202 348 G CA -0.533 44.597 45.100 0.051 0.000 1.061 348 G HN 0.421 nan 8.290 nan 0.000 0.563 349 H N -1.080 118.136 119.070 0.243 0.000 2.988 349 H HA 0.644 5.200 4.556 0.000 0.000 0.284 349 H C 0.421 175.870 175.328 0.201 0.000 1.284 349 H CA 1.871 58.096 56.048 0.295 0.000 1.431 349 H CB 0.972 30.810 29.762 0.126 0.000 1.954 349 H HN 2.737 nan 8.280 nan 0.000 0.509 350 G N 1.803 110.286 108.800 -0.528 0.000 2.693 350 G HA2 -0.232 3.729 3.960 0.000 0.000 0.226 350 G HA3 -0.232 3.729 3.960 0.000 0.000 0.226 350 G C 1.435 176.273 174.900 -0.102 0.000 1.354 350 G CA 0.254 45.139 45.100 -0.358 0.000 0.873 350 G HN 1.485 nan 8.290 nan 0.000 0.562 351 I N -2.777 117.712 120.570 -0.136 0.000 2.479 351 I HA -0.160 4.011 4.170 0.000 0.000 0.258 351 I C 1.617 177.657 176.117 -0.128 0.000 1.165 351 I CA 2.312 63.535 61.300 -0.128 0.000 1.422 351 I CB -0.270 37.595 38.000 -0.226 0.000 1.087 351 I HN 0.505 nan 8.210 nan 0.000 0.441 352 H N 0.470 119.546 119.070 0.010 0.000 2.524 352 H HA 0.202 4.758 4.556 0.000 0.000 0.280 352 H C -0.018 175.381 175.328 0.118 0.000 1.018 352 H CA -0.474 55.597 56.048 0.037 0.000 1.165 352 H CB -0.279 29.441 29.762 -0.070 0.000 1.411 352 H HN 0.377 nan 8.280 nan 0.000 0.569 353 F N 1.850 121.849 119.950 0.081 0.000 2.602 353 F HA -0.037 4.490 4.527 0.000 0.000 0.385 353 F C 0.939 176.781 175.800 0.070 0.000 1.063 353 F CA -0.371 57.676 58.000 0.079 0.000 1.233 353 F CB 0.257 39.279 39.000 0.036 0.000 1.067 353 F HN 0.134 nan 8.300 nan 0.000 0.564 354 C N 8.232 127.276 119.300 -0.426 0.000 1.842 354 C HA -0.179 4.281 4.460 0.000 0.000 0.412 354 C C 1.752 176.675 174.990 -0.112 0.000 1.526 354 C CA 0.306 59.151 59.018 -0.289 0.000 1.520 354 C CB -1.587 25.909 27.740 -0.406 0.000 2.734 354 C HN 0.937 nan 8.230 nan 0.000 0.564 355 I N 4.320 124.837 120.570 -0.088 0.000 3.956 355 I HA 0.221 4.391 4.170 0.000 0.000 0.333 355 I C 1.784 177.791 176.117 -0.183 0.000 1.302 355 I CA 1.012 62.272 61.300 -0.067 0.000 1.122 355 I CB -0.115 37.846 38.000 -0.066 0.000 1.013 355 I HN 0.895 nan 8.210 nan 0.000 0.405 356 G N -0.281 108.383 108.800 -0.228 0.000 3.020 356 G HA2 0.077 4.037 3.960 0.000 0.000 0.217 356 G HA3 0.077 4.037 3.960 0.000 0.000 0.217 356 G C 1.597 176.385 174.900 -0.186 0.000 1.144 356 G CA 0.558 45.535 45.100 -0.206 0.000 0.760 356 G HN 0.395 nan 8.290 nan 0.000 0.548 357 A N 2.059 124.626 122.820 -0.421 0.000 1.929 357 A HA -0.115 4.205 4.320 0.000 0.000 0.221 357 A C 0.593 177.969 177.584 -0.346 0.000 1.211 357 A CA 2.293 53.794 52.037 -0.893 0.000 0.657 357 A CB -1.237 17.301 19.000 -0.769 0.000 0.827 357 A HN 0.392 nan 8.150 nan 0.000 0.462 358 P HA -0.120 nan 4.420 nan 0.000 0.208 358 P C 1.723 179.040 177.300 0.028 0.000 1.200 358 P CA 0.861 63.954 63.100 -0.012 0.000 0.924 358 P CB -0.197 31.533 31.700 0.051 0.000 0.774 359 L N -0.529 120.736 121.223 0.070 0.000 2.103 359 L HA -0.252 4.088 4.340 0.000 0.000 0.215 359 L C 2.082 178.999 176.870 0.079 0.000 1.080 359 L CA 2.201 57.098 54.840 0.094 0.000 0.764 359 L CB -1.728 40.417 42.059 0.143 0.000 0.890 359 L HN -0.085 nan 8.230 nan 0.000 0.435 360 A N -0.553 122.318 122.820 0.086 0.000 1.821 360 A HA -0.199 4.121 4.320 0.000 0.000 0.215 360 A C 2.262 179.946 177.584 0.167 0.000 1.214 360 A CA 1.617 53.751 52.037 0.162 0.000 0.608 360 A CB -0.689 18.507 19.000 0.327 0.000 0.862 360 A HN 0.451 nan 8.150 nan 0.000 0.448 361 R N -0.734 119.887 120.500 0.201 0.000 2.244 361 R HA -0.212 4.128 4.340 0.000 0.000 0.252 361 R C 1.947 178.314 176.300 0.111 0.000 1.177 361 R CA 1.499 57.708 56.100 0.180 0.000 1.004 361 R CB -0.809 29.590 30.300 0.164 0.000 0.873 361 R HN 0.586 nan 8.270 nan 0.000 0.469 362 L N 1.022 122.297 121.223 0.085 0.000 1.993 362 L HA -0.092 4.248 4.340 0.000 0.000 0.206 362 L C 1.832 178.733 176.870 0.052 0.000 1.074 362 L CA 1.713 56.589 54.840 0.060 0.000 0.746 362 L CB -0.574 41.516 42.059 0.051 0.000 0.896 362 L HN 0.024 nan 8.230 nan 0.000 0.435 363 E N 0.534 120.765 120.200 0.051 0.000 2.058 363 E HA -0.251 4.099 4.350 0.000 0.000 0.194 363 E C 2.129 178.754 176.600 0.042 0.000 0.997 363 E CA 1.326 57.746 56.400 0.033 0.000 0.801 363 E CB -0.552 29.162 29.700 0.023 0.000 0.746 363 E HN 0.675 nan 8.360 nan 0.000 0.450 364 A N 2.069 124.929 122.820 0.067 0.000 1.842 364 A HA -0.261 4.059 4.320 0.000 0.000 0.217 364 A C 2.150 179.771 177.584 0.062 0.000 1.206 364 A CA 1.836 53.916 52.037 0.072 0.000 0.630 364 A CB -0.699 18.363 19.000 0.103 0.000 0.839 364 A HN 0.094 nan 8.150 nan 0.000 0.447 365 R N -0.591 119.949 120.500 0.068 0.000 2.136 365 R HA -0.218 4.123 4.340 0.000 0.000 0.242 365 R C 2.121 178.444 176.300 0.037 0.000 1.131 365 R CA 2.016 58.149 56.100 0.054 0.000 0.937 365 R CB -0.868 29.465 30.300 0.054 0.000 0.863 365 R HN 0.649 nan 8.270 nan 0.000 0.435 366 I N 0.572 121.160 120.570 0.030 0.000 2.069 366 I HA -0.351 3.819 4.170 0.000 0.000 0.237 366 I C 2.762 178.887 176.117 0.013 0.000 1.053 366 I CA 1.551 62.861 61.300 0.017 0.000 1.311 366 I CB -0.750 37.256 38.000 0.010 0.000 1.030 366 I HN 0.260 nan 8.210 nan 0.000 0.398 367 A N 0.808 123.637 122.820 0.015 0.000 1.881 367 A HA -0.247 4.073 4.320 0.000 0.000 0.219 367 A C 2.411 180.006 177.584 0.019 0.000 1.215 367 A CA 2.755 54.800 52.037 0.012 0.000 0.648 367 A CB -1.361 17.650 19.000 0.019 0.000 0.832 367 A HN 0.290 nan 8.150 nan 0.000 0.455 368 V N 0.899 120.833 119.914 0.033 0.000 2.380 368 V HA -0.317 3.803 4.120 0.000 0.000 0.251 368 V C 2.729 178.840 176.094 0.028 0.000 1.063 368 V CA 2.523 64.847 62.300 0.039 0.000 1.055 368 V CB -1.028 30.826 31.823 0.051 0.000 0.657 368 V HN 0.789 nan 8.190 nan 0.000 0.455 369 R N 0.632 121.144 120.500 0.021 0.000 2.153 369 R HA -0.002 4.339 4.340 0.000 0.000 0.218 369 R C 2.222 178.523 176.300 0.002 0.000 1.072 369 R CA 1.320 57.428 56.100 0.013 0.000 0.990 369 R CB -0.375 29.931 30.300 0.011 0.000 0.889 369 R HN 0.413 nan 8.270 nan 0.000 0.452 370 A N 2.010 124.828 122.820 -0.004 0.000 1.865 370 A HA -0.115 4.205 4.320 0.000 0.000 0.217 370 A C 2.267 179.833 177.584 -0.030 0.000 1.191 370 A CA 1.370 53.395 52.037 -0.020 0.000 0.623 370 A CB -0.577 18.408 19.000 -0.025 0.000 0.826 370 A HN 0.338 nan 8.150 nan 0.000 0.444 371 L N -0.544 120.666 121.223 -0.021 0.000 2.072 371 L HA -0.126 4.214 4.340 0.000 0.000 0.205 371 L C 2.525 179.391 176.870 -0.007 0.000 1.079 371 L CA 0.809 55.633 54.840 -0.026 0.000 0.752 371 L CB -0.569 41.490 42.059 -0.000 0.000 0.906 371 L HN 0.369 nan 8.230 nan 0.000 0.436 372 L N -0.405 120.825 121.223 0.010 0.000 2.083 372 L HA -0.191 4.149 4.340 0.000 0.000 0.209 372 L C 2.228 179.104 176.870 0.009 0.000 1.083 372 L CA 1.381 56.234 54.840 0.020 0.000 0.752 372 L CB -0.576 41.498 42.059 0.025 0.000 0.899 372 L HN 0.339 nan 8.230 nan 0.000 0.433 373 E N 0.011 120.209 120.200 -0.004 0.000 2.435 373 E HA -0.053 4.297 4.350 0.000 0.000 0.195 373 E C 1.418 178.004 176.600 -0.023 0.000 1.029 373 E CA 0.320 56.715 56.400 -0.009 0.000 0.865 373 E CB 0.273 29.966 29.700 -0.011 0.000 0.833 373 E HN 0.483 nan 8.360 nan 0.000 0.510 374 R N -0.769 119.706 120.500 -0.042 0.000 2.531 374 R HA 0.238 4.578 4.340 0.000 0.000 0.316 374 R C -0.289 175.948 176.300 -0.106 0.000 0.955 374 R CA -0.107 55.948 56.100 -0.075 0.000 1.120 374 R CB 0.930 31.168 30.300 -0.103 0.000 1.361 374 R HN -0.054 nan 8.270 nan 0.000 0.534 375 C N 2.852 122.121 119.300 -0.053 0.000 2.816 375 C HA 0.257 4.717 4.460 0.000 0.000 0.255 375 C C -1.132 173.906 174.990 0.080 0.000 1.141 375 C CA -1.701 57.316 59.018 -0.003 0.000 1.554 375 C CB 1.183 28.934 27.740 0.017 0.000 1.778 375 C HN 0.268 nan 8.230 nan 0.000 0.429 376 P HA -0.218 nan 4.420 nan 0.000 0.206 376 P C 0.610 177.967 177.300 0.095 0.000 1.142 376 P CA 1.774 64.923 63.100 0.082 0.000 0.946 376 P CB 0.316 32.067 31.700 0.085 0.000 0.777 377 D N -0.581 119.891 120.400 0.121 0.000 2.538 377 D HA 0.112 4.752 4.640 0.000 0.000 0.234 377 D C 0.430 176.803 176.300 0.122 0.000 1.191 377 D CA -0.628 53.431 54.000 0.098 0.000 0.828 377 D CB -1.154 39.690 40.800 0.074 0.000 0.981 377 D HN -0.082 nan 8.370 nan 0.000 0.490 378 L N 1.196 122.514 121.223 0.158 0.000 2.628 378 L HA 0.204 4.545 4.340 0.000 0.000 0.292 378 L C -0.235 176.709 176.870 0.123 0.000 1.250 378 L CA 0.458 55.407 54.840 0.183 0.000 0.892 378 L CB 0.132 42.284 42.059 0.156 0.000 1.138 378 L HN 0.165 nan 8.230 nan 0.000 0.502 379 A N 4.404 127.296 122.820 0.121 0.000 2.569 379 A HA 0.439 4.759 4.320 0.000 0.000 0.292 379 A C -1.023 176.606 177.584 0.076 0.000 1.032 379 A CA -0.846 51.241 52.037 0.083 0.000 0.669 379 A CB 0.018 19.050 19.000 0.054 0.000 1.290 379 A HN 0.715 nan 8.150 nan 0.000 0.422 380 L N 0.432 121.700 121.223 0.076 0.000 2.483 380 L HA 0.236 4.576 4.340 0.000 0.000 0.277 380 L C 0.388 177.277 176.870 0.031 0.000 1.248 380 L CA 0.599 55.483 54.840 0.073 0.000 0.825 380 L CB 0.389 42.511 42.059 0.106 0.000 1.096 380 L HN 0.872 nan 8.230 nan 0.000 0.512 381 D N 1.259 121.668 120.400 0.016 0.000 2.879 381 D HA 0.463 5.103 4.640 0.000 0.000 0.351 381 D C -1.179 175.113 176.300 -0.014 0.000 1.239 381 D CA 0.058 54.047 54.000 -0.017 0.000 0.771 381 D CB 0.683 41.455 40.800 -0.046 0.000 1.176 381 D HN 0.185 nan 8.370 nan 0.000 0.496 382 V N 0.598 120.513 119.914 0.002 0.000 2.989 382 V HA 0.430 4.550 4.120 0.000 0.000 0.259 382 V C -1.825 174.281 176.094 0.020 0.000 1.813 382 V CA -0.305 61.992 62.300 -0.005 0.000 0.939 382 V CB 1.689 33.494 31.823 -0.030 0.000 1.361 382 V HN 0.309 nan 8.190 nan 0.000 0.454 383 S N 4.940 120.649 115.700 0.014 0.000 2.519 383 S HA 0.738 5.208 4.470 0.000 0.000 0.309 383 S C -1.815 172.805 174.600 0.034 0.000 1.100 383 S CA -0.967 57.255 58.200 0.038 0.000 1.059 383 S CB 1.728 64.946 63.200 0.030 0.000 1.008 383 S HN 0.663 nan 8.310 nan 0.000 0.478 384 P HA -0.339 nan 4.420 nan 0.000 0.234 384 P C 1.692 179.021 177.300 0.049 0.000 1.067 384 P CA 2.724 65.870 63.100 0.075 0.000 1.034 384 P CB -0.485 31.287 31.700 0.121 0.000 0.739 385 G N -0.211 108.612 108.800 0.038 0.000 2.529 385 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 385 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 385 G C 0.375 175.280 174.900 0.009 0.000 1.177 385 G CA 1.048 46.164 45.100 0.027 0.000 0.773 385 G HN 0.502 nan 8.290 nan 0.000 0.573 386 E N 0.614 120.808 120.200 -0.011 0.000 1.852 386 E HA 0.556 4.906 4.350 0.000 0.000 0.276 386 E C -0.532 176.021 176.600 -0.079 0.000 1.163 386 E CA -0.164 56.215 56.400 -0.035 0.000 1.117 386 E CB 0.038 29.718 29.700 -0.033 0.000 1.124 386 E HN 0.292 nan 8.360 nan 0.000 0.458 387 L N 0.988 122.155 121.223 -0.093 0.000 2.671 387 L HA 0.471 4.811 4.340 0.000 0.000 0.259 387 L C -1.066 175.695 176.870 -0.182 0.000 1.021 387 L CA -1.372 53.342 54.840 -0.210 0.000 0.871 387 L CB 2.523 44.390 42.059 -0.320 0.000 1.472 387 L HN 0.107 nan 8.230 nan 0.000 0.410 388 V N 0.071 119.801 119.914 -0.306 0.000 2.419 388 V HA 0.302 4.422 4.120 0.000 0.000 0.287 388 V C -1.402 174.532 176.094 -0.266 0.000 1.017 388 V CA -0.407 61.791 62.300 -0.171 0.000 0.844 388 V CB 1.265 33.032 31.823 -0.093 0.000 1.011 388 V HN 0.569 nan 8.190 nan 0.000 0.429 389 W N 3.730 124.970 121.300 -0.099 0.000 2.316 389 W HA 0.520 5.181 4.660 0.000 0.000 0.308 389 W C 0.428 176.945 176.519 -0.002 0.000 1.106 389 W CA -0.642 56.618 57.345 -0.141 0.000 1.262 389 W CB 0.537 29.913 29.460 -0.141 0.000 1.233 389 W HN 0.547 nan 8.180 nan 0.000 0.447 390 Y N 4.791 125.211 120.300 0.201 0.000 2.944 390 Y HA -0.173 4.378 4.550 0.000 0.000 0.340 390 Y C -1.117 174.885 175.900 0.171 0.000 1.275 390 Y CA -0.985 57.203 58.100 0.147 0.000 1.590 390 Y CB 0.118 38.652 38.460 0.125 0.000 1.218 390 Y HN 0.322 nan 8.280 nan 0.000 0.576 391 P HA -0.120 nan 4.420 nan 0.000 0.224 391 P C 0.120 177.622 177.300 0.338 0.000 1.157 391 P CA 0.677 63.969 63.100 0.319 0.000 0.799 391 P CB 0.193 32.033 31.700 0.234 0.000 0.809 392 N N 1.591 120.442 118.700 0.251 0.000 2.301 392 N HA -0.067 4.673 4.740 0.000 0.000 0.267 392 N C -1.242 174.416 175.510 0.247 0.000 1.304 392 N CA -0.590 52.583 53.050 0.205 0.000 0.851 392 N CB 0.417 38.990 38.487 0.144 0.000 1.070 392 N HN 0.086 nan 8.380 nan 0.000 0.483 393 P HA -0.120 nan 4.420 nan 0.000 0.228 393 P C 1.134 178.529 177.300 0.159 0.000 1.151 393 P CA 1.089 64.371 63.100 0.305 0.000 0.770 393 P CB 0.320 32.209 31.700 0.314 0.000 0.786 394 M N -1.152 118.506 119.600 0.097 0.000 2.325 394 M HA 0.100 4.580 4.480 0.000 0.000 0.265 394 M C 1.240 177.569 176.300 0.049 0.000 1.094 394 M CA 0.884 56.199 55.300 0.025 0.000 1.161 394 M CB 0.028 32.610 32.600 -0.030 0.000 1.358 394 M HN -0.197 nan 8.290 nan 0.000 0.446 395 I N -0.058 120.578 120.570 0.111 0.000 2.566 395 I HA 0.261 4.431 4.170 0.000 0.000 0.303 395 I C 0.143 176.372 176.117 0.187 0.000 0.983 395 I CA -0.800 60.598 61.300 0.164 0.000 1.235 395 I CB 1.220 39.373 38.000 0.254 0.000 1.386 395 I HN -0.030 nan 8.210 nan 0.000 0.494 396 R N 3.086 123.693 120.500 0.180 0.000 2.320 396 R HA 0.683 5.023 4.340 0.000 0.000 0.319 396 R C -0.876 175.547 176.300 0.205 0.000 0.969 396 R CA -0.368 55.837 56.100 0.174 0.000 0.857 396 R CB 1.076 31.446 30.300 0.116 0.000 1.160 396 R HN 0.819 nan 8.270 nan 0.000 0.491 397 G N 3.084 111.949 108.800 0.109 0.000 2.696 397 G HA2 0.509 4.469 3.960 0.000 0.000 0.295 397 G HA3 0.509 4.469 3.960 0.000 0.000 0.295 397 G C -1.720 172.579 174.900 -1.002 0.000 1.398 397 G CA -0.675 44.075 45.100 -0.584 0.000 0.920 397 G HN 0.404 nan 8.290 nan 0.000 0.492 398 L N 0.821 121.409 121.223 -1.058 0.000 2.334 398 L HA 0.440 4.780 4.340 0.000 0.000 0.276 398 L C 1.235 177.707 176.870 -0.663 0.000 1.014 398 L CA -0.876 53.364 54.840 -1.001 0.000 0.815 398 L CB 2.534 44.028 42.059 -0.940 0.000 1.268 398 L HN 0.633 nan 8.230 nan 0.000 0.428 399 K N 1.528 121.682 120.400 -0.410 0.000 2.366 399 K HA 0.224 4.544 4.320 0.000 0.000 0.198 399 K C 0.074 176.587 176.600 -0.145 0.000 1.044 399 K CA 0.444 56.658 56.287 -0.122 0.000 0.973 399 K CB 0.403 32.870 32.500 -0.054 0.000 0.767 399 K HN 0.675 nan 8.250 nan 0.000 0.475 400 A N 0.429 123.108 122.820 -0.235 0.000 2.581 400 A HA 0.436 4.756 4.320 0.000 0.000 0.294 400 A C -2.275 175.180 177.584 -0.214 0.000 1.035 400 A CA -0.860 51.075 52.037 -0.170 0.000 0.684 400 A CB 0.878 19.812 19.000 -0.110 0.000 1.282 400 A HN 0.038 nan 8.150 nan 0.000 0.417 401 L N 1.946 123.091 121.223 -0.130 0.000 2.388 401 L HA 0.646 4.986 4.340 0.000 0.000 0.267 401 L C -2.785 174.069 176.870 -0.027 0.000 0.995 401 L CA -1.551 53.226 54.840 -0.105 0.000 0.864 401 L CB 1.638 43.660 42.059 -0.062 0.000 1.216 401 L HN 0.373 nan 8.230 nan 0.000 0.430 402 P HA 0.407 nan 4.420 nan 0.000 0.276 402 P C -0.679 176.637 177.300 0.028 0.000 1.230 402 P CA -0.055 63.044 63.100 -0.003 0.000 0.776 402 P CB 0.868 32.551 31.700 -0.029 0.000 0.888 403 I N 0.335 120.934 120.570 0.048 0.000 3.466 403 I HA 0.829 4.999 4.170 0.000 0.000 0.311 403 I C -1.243 174.859 176.117 -0.026 0.000 1.155 403 I CA -1.649 59.692 61.300 0.068 0.000 0.959 403 I CB 2.709 40.815 38.000 0.177 0.000 1.332 403 I HN 0.304 nan 8.210 nan 0.000 0.483 404 R N 0.919 121.395 120.500 -0.040 0.000 2.633 404 R HA 0.293 4.633 4.340 0.000 0.000 0.255 404 R C -2.070 174.150 176.300 -0.134 0.000 1.106 404 R CA -0.765 55.142 56.100 -0.321 0.000 0.959 404 R CB 0.371 30.503 30.300 -0.279 0.000 1.259 404 R HN 0.970 nan 8.270 nan 0.000 0.453 405 W N 1.484 122.792 121.300 0.014 0.000 2.693 405 W HA 0.586 5.246 4.660 0.000 0.000 0.415 405 W C -0.283 176.243 176.519 0.012 0.000 0.932 405 W CA -0.791 56.563 57.345 0.014 0.000 2.200 405 W CB 0.597 30.066 29.460 0.014 0.000 1.188 405 W HN 0.517 nan 8.180 nan 0.000 0.665 406 R N 0.000 120.392 120.500 -0.180 0.000 2.786 406 R HA 0.000 4.340 4.340 0.000 0.000 0.208 406 R CA 0.000 56.044 56.100 -0.094 0.000 0.921 406 R CB 0.000 30.257 30.300 -0.072 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535