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 2wi9_1_B DATA FIRST_RESID 14 DATA SEQUENCE VLDLGALGQD FAADPYPTYA RLRAEGPAHR VRTPEGNEVW 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 RWRR 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 0.000 176.040 176.094 -0.090 0.000 1.182 14 V CA 0.000 62.227 62.300 -0.121 0.000 1.235 14 V CB 0.000 31.744 31.823 -0.131 0.000 1.184 15 L N 3.407 124.574 121.223 -0.094 0.000 2.307 15 L HA 0.766 5.098 4.340 -0.013 0.000 0.282 15 L C -0.262 176.539 176.870 -0.115 0.000 1.051 15 L CA 0.499 55.285 54.840 -0.089 0.000 0.804 15 L CB 1.439 43.451 42.059 -0.079 0.000 1.197 15 L HN 0.720 nan 8.230 nan 0.000 0.431 16 D N 4.457 124.786 120.400 -0.117 0.000 2.412 16 D HA 0.215 4.847 4.640 -0.013 0.000 0.224 16 D C 0.871 177.056 176.300 -0.192 0.000 1.093 16 D CA -0.121 53.800 54.000 -0.131 0.000 0.850 16 D CB 1.020 41.763 40.800 -0.095 0.000 1.046 16 D HN 0.657 nan 8.370 nan 0.000 0.507 17 L N 2.382 123.451 121.223 -0.257 0.000 2.395 17 L HA 0.123 4.455 4.340 -0.013 0.000 0.218 17 L C 2.333 179.013 176.870 -0.317 0.000 1.130 17 L CA 0.458 55.026 54.840 -0.454 0.000 0.826 17 L CB -0.052 41.647 42.059 -0.600 0.000 0.941 17 L HN 0.383 nan 8.230 nan 0.000 0.451 18 G N 0.336 109.037 108.800 -0.166 0.000 2.408 18 G HA2 -0.148 3.804 3.960 -0.013 0.000 0.217 18 G HA3 -0.148 3.804 3.960 -0.013 0.000 0.217 18 G C 1.485 176.338 174.900 -0.077 0.000 1.150 18 G CA 0.616 45.663 45.100 -0.087 0.000 0.776 18 G HN 0.433 nan 8.290 nan 0.000 0.542 19 A N -0.280 122.485 122.820 -0.092 0.000 2.291 19 A HA 0.642 4.954 4.320 -0.013 0.000 0.220 19 A C 2.065 179.603 177.584 -0.076 0.000 1.262 19 A CA 1.021 53.016 52.037 -0.070 0.000 0.867 19 A CB -0.451 18.511 19.000 -0.063 0.000 0.888 19 A HN 0.780 nan 8.150 nan 0.000 0.487 20 L N -2.245 118.918 121.223 -0.100 0.000 2.269 20 L HA 0.622 4.954 4.340 -0.013 0.000 0.200 20 L C 1.451 178.314 176.870 -0.013 0.000 1.069 20 L CA 1.365 56.159 54.840 -0.076 0.000 0.804 20 L CB -1.518 40.452 42.059 -0.149 0.000 0.987 20 L HN 1.410 nan 8.230 nan 0.000 0.468 21 G N -3.793 105.012 108.800 0.009 0.000 2.316 21 G HA2 0.406 4.358 3.960 -0.013 0.000 0.349 21 G HA3 0.406 4.358 3.960 -0.013 0.000 0.349 21 G C 0.330 175.273 174.900 0.071 0.000 1.274 21 G CA 0.610 45.730 45.100 0.033 0.000 1.018 21 G HN 1.507 nan 8.290 nan 0.000 0.486 22 Q N -0.859 118.974 119.800 0.055 0.000 2.488 22 Q HA 0.133 4.465 4.340 -0.013 0.000 0.211 22 Q C 1.923 177.949 176.000 0.044 0.000 0.967 22 Q CA 2.375 58.213 55.803 0.058 0.000 0.926 22 Q CB -0.655 28.108 28.738 0.042 0.000 0.992 22 Q HN 0.751 nan 8.270 nan 0.000 0.506 23 D N -0.611 119.816 120.400 0.046 0.000 2.084 23 D HA -0.051 4.581 4.640 -0.013 0.000 0.196 23 D C 1.431 177.737 176.300 0.009 0.000 0.985 23 D CA 1.153 55.165 54.000 0.020 0.000 0.826 23 D CB -0.311 40.505 40.800 0.026 0.000 0.978 23 D HN 0.508 nan 8.370 nan 0.000 0.456 24 F N 1.723 121.616 119.950 -0.095 0.000 2.095 24 F HA -0.204 4.315 4.527 -0.013 0.000 0.298 24 F C 2.246 177.963 175.800 -0.137 0.000 1.104 24 F CA 1.504 59.421 58.000 -0.139 0.000 1.232 24 F CB -0.378 38.547 39.000 -0.126 0.000 0.987 24 F HN -0.040 nan 8.300 nan 0.000 0.475 25 A N -0.285 122.547 122.820 0.019 0.000 1.978 25 A HA -0.044 4.269 4.320 -0.013 0.000 0.220 25 A C 2.249 179.725 177.584 -0.179 0.000 1.170 25 A CA 1.927 53.939 52.037 -0.041 0.000 0.636 25 A CB -1.297 17.754 19.000 0.085 0.000 0.810 25 A HN 0.511 nan 8.150 nan 0.000 0.448 26 A N -1.730 120.968 122.820 -0.203 0.000 1.993 26 A HA 0.277 4.589 4.320 -0.013 0.000 0.207 26 A C 0.630 177.989 177.584 -0.375 0.000 1.224 26 A CA 0.992 52.822 52.037 -0.345 0.000 0.749 26 A CB 0.227 19.117 19.000 -0.184 0.000 0.884 26 A HN 0.319 nan 8.150 nan 0.000 0.467 27 D N -0.916 119.321 120.400 -0.271 0.000 2.400 27 D HA 0.332 4.964 4.640 -0.013 0.000 0.272 27 D C -2.191 173.909 176.300 -0.334 0.000 1.220 27 D CA -1.564 52.313 54.000 -0.205 0.000 0.897 27 D CB 1.523 42.260 40.800 -0.106 0.000 1.134 27 D HN 0.067 nan 8.370 nan 0.000 0.507 28 P HA -0.031 nan 4.420 nan 0.000 0.239 28 P C 1.034 177.802 177.300 -0.887 0.000 1.188 28 P CA 0.274 62.645 63.100 -1.214 0.000 0.794 28 P CB 0.192 30.713 31.700 -1.965 0.000 0.937 29 Y N 1.298 121.350 120.300 -0.413 0.000 2.151 29 Y HA -0.130 4.412 4.550 -0.012 0.000 0.284 29 Y C -0.238 175.619 175.900 -0.071 0.000 1.166 29 Y CA 1.902 59.914 58.100 -0.145 0.000 1.163 29 Y CB -2.731 35.720 38.460 -0.016 0.000 0.974 29 Y HN 0.184 nan 8.280 nan 0.000 0.511 30 P HA -0.081 nan 4.420 nan 0.000 0.219 30 P C 1.475 178.789 177.300 0.023 0.000 1.150 30 P CA 1.925 65.052 63.100 0.045 0.000 0.814 30 P CB -0.093 31.611 31.700 0.007 0.000 0.787 31 T N -0.871 113.661 114.554 -0.037 0.000 2.597 31 T HA -0.245 4.097 4.350 -0.013 0.000 0.267 31 T C 1.635 176.358 174.700 0.039 0.000 1.053 31 T CA 1.691 63.776 62.100 -0.024 0.000 1.165 31 T CB -1.396 67.476 68.868 0.007 0.000 0.863 31 T HN 0.196 nan 8.240 nan 0.000 0.427 32 Y N 1.215 121.553 120.300 0.064 0.000 2.145 32 Y HA -0.101 4.441 4.550 -0.013 0.000 0.286 32 Y C 2.961 178.883 175.900 0.036 0.000 1.145 32 Y CA 0.387 58.507 58.100 0.033 0.000 1.148 32 Y CB -0.409 38.062 38.460 0.018 0.000 0.981 32 Y HN 0.224 nan 8.280 nan 0.000 0.507 33 A N 0.276 123.237 122.820 0.233 0.000 1.930 33 A HA -0.188 4.125 4.320 -0.013 0.000 0.217 33 A C 2.242 179.891 177.584 0.107 0.000 1.175 33 A CA 1.319 53.461 52.037 0.175 0.000 0.627 33 A CB -0.589 18.528 19.000 0.196 0.000 0.815 33 A HN 0.337 nan 8.150 nan 0.000 0.443 34 R N -0.125 120.418 120.500 0.072 0.000 2.066 34 R HA -0.075 4.258 4.340 -0.013 0.000 0.232 34 R C 2.044 178.339 176.300 -0.009 0.000 1.131 34 R CA 1.552 57.672 56.100 0.032 0.000 0.955 34 R CB -0.542 29.766 30.300 0.013 0.000 0.851 34 R HN 0.567 nan 8.270 nan 0.000 0.432 35 L N 0.274 121.449 121.223 -0.079 0.000 2.013 35 L HA -0.237 4.095 4.340 -0.013 0.000 0.212 35 L C 2.942 179.740 176.870 -0.119 0.000 1.073 35 L CA 1.744 56.380 54.840 -0.340 0.000 0.753 35 L CB -0.637 41.093 42.059 -0.549 0.000 0.890 35 L HN 0.260 nan 8.230 nan 0.000 0.432 36 R N 0.309 120.838 120.500 0.049 0.000 2.096 36 R HA -0.184 4.148 4.340 -0.013 0.000 0.235 36 R C 2.338 178.722 176.300 0.140 0.000 1.127 36 R CA 1.425 57.612 56.100 0.145 0.000 0.968 36 R CB -0.241 30.139 30.300 0.133 0.000 0.861 36 R HN 0.386 nan 8.270 nan 0.000 0.440 37 A N 1.036 123.919 122.820 0.104 0.000 1.940 37 A HA -0.197 4.116 4.320 -0.013 0.000 0.219 37 A C 1.826 179.475 177.584 0.107 0.000 1.176 37 A CA 1.684 53.778 52.037 0.094 0.000 0.631 37 A CB -0.347 18.697 19.000 0.074 0.000 0.814 37 A HN 0.505 nan 8.150 nan 0.000 0.446 38 E N -1.356 118.924 120.200 0.134 0.000 2.208 38 E HA 0.305 4.648 4.350 -0.013 0.000 0.193 38 E C 0.964 177.689 176.600 0.208 0.000 0.988 38 E CA 0.391 56.896 56.400 0.175 0.000 0.828 38 E CB -0.005 29.825 29.700 0.217 0.000 0.763 38 E HN 0.663 nan 8.360 nan 0.000 0.478 39 G N -0.387 108.571 108.800 0.265 0.000 2.356 39 G HA2 -0.033 3.920 3.960 -0.013 0.000 0.300 39 G HA3 -0.033 3.920 3.960 -0.013 0.000 0.300 39 G C -2.631 172.388 174.900 0.199 0.000 1.331 39 G CA -0.673 44.526 45.100 0.164 0.000 0.905 39 G HN -0.233 nan 8.290 nan 0.000 0.587 40 P HA 0.314 nan 4.420 nan 0.000 0.226 40 P C 0.562 177.878 177.300 0.027 0.000 1.161 40 P CA 1.467 64.600 63.100 0.055 0.000 0.804 40 P CB 0.646 32.353 31.700 0.012 0.000 0.829 41 A N 0.455 123.163 122.820 -0.185 0.000 2.353 41 A HA 0.637 4.949 4.320 -0.013 0.000 0.299 41 A C -0.965 176.487 177.584 -0.219 0.000 1.089 41 A CA -0.492 51.506 52.037 -0.065 0.000 0.736 41 A CB 0.808 19.795 19.000 -0.020 0.000 1.195 41 A HN 0.073 nan 8.150 nan 0.000 0.447 42 H N 1.597 120.874 119.070 0.345 0.000 2.782 42 H HA 0.307 4.855 4.556 -0.013 0.000 0.347 42 H C -0.563 174.743 175.328 -0.037 0.000 1.038 42 H CA -0.623 55.532 56.048 0.178 0.000 1.255 42 H CB 1.852 31.667 29.762 0.087 0.000 1.623 42 H HN 0.802 nan 8.280 nan 0.000 0.525 43 R N 2.460 122.732 120.500 -0.380 0.000 2.347 43 R HA 0.354 4.686 4.340 -0.013 0.000 0.304 43 R C -0.264 175.826 176.300 -0.351 0.000 1.072 43 R CA -0.306 55.309 56.100 -0.809 0.000 0.980 43 R CB 0.307 29.886 30.300 -1.202 0.000 0.986 43 R HN 0.474 nan 8.270 nan 0.000 0.448 44 V N 1.033 120.773 119.914 -0.290 0.000 3.167 44 V HA 0.654 4.766 4.120 -0.013 0.000 0.310 44 V C -1.148 174.853 176.094 -0.155 0.000 1.207 44 V CA -1.224 60.977 62.300 -0.166 0.000 1.059 44 V CB 1.964 33.735 31.823 -0.086 0.000 1.079 44 V HN 0.829 nan 8.190 nan 0.000 0.446 45 R N 1.242 121.670 120.500 -0.119 0.000 2.437 45 R HA 0.628 4.960 4.340 -0.013 0.000 0.310 45 R C 0.058 176.314 176.300 -0.075 0.000 0.955 45 R CA 0.189 56.235 56.100 -0.089 0.000 0.851 45 R CB 1.717 31.968 30.300 -0.082 0.000 1.161 45 R HN 1.142 nan 8.270 nan 0.000 0.446 46 T N 1.946 116.481 114.554 -0.031 0.000 2.766 46 T HA 0.179 4.521 4.350 -0.013 0.000 0.295 46 T C -1.758 172.934 174.700 -0.013 0.000 1.024 46 T CA -1.331 60.767 62.100 -0.004 0.000 1.018 46 T CB 0.690 69.596 68.868 0.063 0.000 1.002 46 T HN 0.377 nan 8.240 nan 0.000 0.532 47 P HA -0.133 nan 4.420 nan 0.000 0.216 47 P C 0.939 178.266 177.300 0.044 0.000 1.154 47 P CA 1.270 64.384 63.100 0.023 0.000 0.865 47 P CB -0.111 31.637 31.700 0.080 0.000 0.789 48 E N -1.736 118.506 120.200 0.069 0.000 2.526 48 E HA 0.200 4.543 4.350 -0.013 0.000 0.198 48 E C 1.396 178.030 176.600 0.056 0.000 1.091 48 E CA 0.783 57.227 56.400 0.073 0.000 0.880 48 E CB -0.970 28.791 29.700 0.101 0.000 0.873 48 E HN 0.234 nan 8.360 nan 0.000 0.527 49 G N 0.381 109.201 108.800 0.034 0.000 2.157 49 G HA2 -0.262 3.690 3.960 -0.013 0.000 0.248 49 G HA3 -0.262 3.690 3.960 -0.013 0.000 0.248 49 G C -0.135 174.777 174.900 0.020 0.000 0.979 49 G CA -0.216 44.896 45.100 0.019 0.000 0.650 49 G HN 0.217 nan 8.290 nan 0.000 0.529 50 N N 1.471 120.191 118.700 0.033 0.000 2.498 50 N HA 0.385 5.117 4.740 -0.013 0.000 0.287 50 N C -0.063 175.439 175.510 -0.012 0.000 1.097 50 N CA -0.185 52.884 53.050 0.033 0.000 0.973 50 N CB 0.852 39.386 38.487 0.079 0.000 1.153 50 N HN 0.442 nan 8.380 nan 0.000 0.472 51 E N 1.040 121.220 120.200 -0.032 0.000 2.194 51 E HA 0.329 4.671 4.350 -0.013 0.000 0.284 51 E C 0.069 176.604 176.600 -0.107 0.000 1.035 51 E CA -0.594 55.749 56.400 -0.095 0.000 0.836 51 E CB 1.211 30.849 29.700 -0.104 0.000 1.070 51 E HN 0.385 nan 8.360 nan 0.000 0.401 52 V N -0.692 119.126 119.914 -0.159 0.000 3.181 52 V HA 0.588 4.700 4.120 -0.013 0.000 0.308 52 V C -1.490 174.481 176.094 -0.203 0.000 1.214 52 V CA -1.312 60.916 62.300 -0.120 0.000 1.053 52 V CB 1.416 33.180 31.823 -0.098 0.000 1.069 52 V HN 0.580 nan 8.190 nan 0.000 0.441 53 W N 1.420 122.693 121.300 -0.044 0.000 2.390 53 W HA 0.790 5.442 4.660 -0.014 0.000 0.312 53 W C -0.301 176.203 176.519 -0.024 0.000 1.123 53 W CA -0.544 56.792 57.345 -0.015 0.000 1.202 53 W CB 1.322 30.776 29.460 -0.010 0.000 1.251 53 W HN 0.531 nan 8.180 nan 0.000 0.511 54 L N 3.790 125.146 121.223 0.221 0.000 2.307 54 L HA 0.554 4.886 4.340 -0.013 0.000 0.282 54 L C -0.209 176.753 176.870 0.155 0.000 1.051 54 L CA -1.217 53.704 54.840 0.136 0.000 0.804 54 L CB 0.743 42.868 42.059 0.110 0.000 1.197 54 L HN 0.038 nan 8.230 nan 0.000 0.431 55 V N 4.012 123.946 119.914 0.034 0.000 2.370 55 V HA 0.429 4.542 4.120 -0.013 0.000 0.283 55 V C 0.174 176.251 176.094 -0.028 0.000 1.023 55 V CA -0.525 61.775 62.300 -0.000 0.000 0.857 55 V CB 1.834 33.590 31.823 -0.112 0.000 0.985 55 V HN 0.577 nan 8.190 nan 0.000 0.443 56 V N 1.808 121.746 119.914 0.040 0.000 3.103 56 V HA 1.109 5.222 4.120 -0.013 0.000 0.318 56 V C 0.193 176.313 176.094 0.043 0.000 1.114 56 V CA -0.408 61.904 62.300 0.020 0.000 1.020 56 V CB 1.276 33.144 31.823 0.075 0.000 1.085 56 V HN 1.692 nan 8.190 nan 0.000 0.446 57 G N -0.052 108.785 108.800 0.060 0.000 3.019 57 G HA2 -0.225 3.728 3.960 -0.013 0.000 0.686 57 G HA3 -0.225 3.728 3.960 -0.013 0.000 0.686 57 G C -0.580 174.377 174.900 0.096 0.000 1.056 57 G CA 0.332 45.491 45.100 0.099 0.000 0.774 57 G HN 1.888 nan 8.290 nan 0.000 0.583 58 Y N 1.424 121.752 120.300 0.046 0.000 2.097 58 Y HA -0.175 4.367 4.550 -0.012 0.000 0.282 58 Y C 2.447 178.355 175.900 0.013 0.000 1.152 58 Y CA 2.726 60.855 58.100 0.049 0.000 1.136 58 Y CB 0.090 38.598 38.460 0.080 0.000 0.975 58 Y HN 0.624 nan 8.280 nan 0.000 0.498 59 D N -0.372 120.118 120.400 0.149 0.000 2.117 59 D HA -0.155 4.478 4.640 -0.013 0.000 0.198 59 D C 2.224 178.479 176.300 -0.075 0.000 0.982 59 D CA 1.303 55.331 54.000 0.046 0.000 0.828 59 D CB -0.310 40.552 40.800 0.103 0.000 0.967 59 D HN 0.193 nan 8.370 nan 0.000 0.464 60 R N 1.059 121.530 120.500 -0.047 0.000 2.092 60 R HA 0.032 4.364 4.340 -0.013 0.000 0.231 60 R C 1.948 178.164 176.300 -0.139 0.000 1.119 60 R CA 1.425 57.483 56.100 -0.070 0.000 0.970 60 R CB -0.654 29.625 30.300 -0.035 0.000 0.864 60 R HN 0.081 nan 8.270 nan 0.000 0.440 61 A N 0.532 123.251 122.820 -0.169 0.000 1.858 61 A HA -0.174 4.138 4.320 -0.013 0.000 0.216 61 A C 2.226 179.669 177.584 -0.235 0.000 1.190 61 A CA 1.632 53.543 52.037 -0.211 0.000 0.617 61 A CB -0.654 18.221 19.000 -0.210 0.000 0.827 61 A HN 0.398 nan 8.150 nan 0.000 0.443 62 R N -0.336 119.958 120.500 -0.343 0.000 2.096 62 R HA -0.163 4.169 4.340 -0.013 0.000 0.240 62 R C 2.253 178.514 176.300 -0.065 0.000 1.139 62 R CA 1.730 57.659 56.100 -0.284 0.000 0.952 62 R CB -0.442 29.526 30.300 -0.555 0.000 0.854 62 R HN 0.443 nan 8.270 nan 0.000 0.436 63 A N 0.073 122.837 122.820 -0.092 0.000 1.898 63 A HA -0.077 4.235 4.320 -0.013 0.000 0.216 63 A C 2.263 179.807 177.584 -0.068 0.000 1.181 63 A CA 1.496 53.517 52.037 -0.027 0.000 0.620 63 A CB -0.441 18.544 19.000 -0.026 0.000 0.819 63 A HN 0.242 nan 8.150 nan 0.000 0.442 64 V N 0.168 119.967 119.914 -0.191 0.000 2.427 64 V HA -0.222 3.890 4.120 -0.013 0.000 0.248 64 V C 2.508 178.408 176.094 -0.324 0.000 1.051 64 V CA 1.676 63.730 62.300 -0.409 0.000 1.048 64 V CB -0.728 30.689 31.823 -0.676 0.000 0.666 64 V HN 0.563 nan 8.190 nan 0.000 0.456 65 L N 0.154 121.269 121.223 -0.179 0.000 2.081 65 L HA -0.189 4.144 4.340 -0.013 0.000 0.212 65 L C 2.318 179.160 176.870 -0.047 0.000 1.080 65 L CA 1.797 56.584 54.840 -0.088 0.000 0.754 65 L CB -0.499 41.571 42.059 0.018 0.000 0.893 65 L HN 0.397 nan 8.230 nan 0.000 0.433 66 A N -2.063 120.736 122.820 -0.036 0.000 2.348 66 A HA 0.006 4.319 4.320 -0.013 0.000 0.224 66 A C 0.481 178.048 177.584 -0.028 0.000 1.227 66 A CA -0.225 51.759 52.037 -0.089 0.000 0.885 66 A CB -0.105 18.757 19.000 -0.231 0.000 0.933 66 A HN 0.220 nan 8.150 nan 0.000 0.506 67 D N 1.087 121.501 120.400 0.024 0.000 2.325 67 D HA 0.187 4.819 4.640 -0.013 0.000 0.251 67 D C -1.615 174.778 176.300 0.155 0.000 1.196 67 D CA -2.013 52.055 54.000 0.113 0.000 0.866 67 D CB 1.332 42.258 40.800 0.209 0.000 1.101 67 D HN 0.089 nan 8.370 nan 0.000 0.476 68 P HA -0.038 nan 4.420 nan 0.000 0.239 68 P C 0.904 178.225 177.300 0.035 0.000 1.184 68 P CA 0.375 63.505 63.100 0.051 0.000 0.760 68 P CB 0.306 32.014 31.700 0.014 0.000 0.884 69 R N -1.063 119.453 120.500 0.027 0.000 2.189 69 R HA 0.028 4.360 4.340 -0.013 0.000 0.223 69 R C 0.271 176.402 176.300 -0.282 0.000 1.092 69 R CA 0.631 56.639 56.100 -0.153 0.000 0.989 69 R CB -0.339 29.802 30.300 -0.266 0.000 0.876 69 R HN 0.222 nan 8.270 nan 0.000 0.457 70 F N 0.249 120.160 119.950 -0.065 0.000 2.361 70 F HA 0.243 4.762 4.527 -0.013 0.000 0.364 70 F C 0.540 176.291 175.800 -0.081 0.000 1.117 70 F CA -0.680 57.268 58.000 -0.088 0.000 1.071 70 F CB 1.494 40.421 39.000 -0.122 0.000 1.188 70 F HN -0.203 nan 8.300 nan 0.000 0.464 71 S N 2.444 118.188 115.700 0.073 0.000 2.672 71 S HA 0.409 4.871 4.470 -0.013 0.000 0.276 71 S C 0.751 175.336 174.600 -0.026 0.000 1.207 71 S CA -0.567 57.669 58.200 0.060 0.000 1.002 71 S CB 1.100 64.357 63.200 0.096 0.000 0.998 71 S HN 0.745 nan 8.310 nan 0.000 0.542 72 K N 0.516 120.906 120.400 -0.017 0.000 2.402 72 K HA 0.172 4.484 4.320 -0.013 0.000 0.204 72 K C -0.533 176.122 176.600 0.091 0.000 1.056 72 K CA -0.218 55.991 56.287 -0.131 0.000 1.069 72 K CB 0.320 32.661 32.500 -0.265 0.000 0.888 72 K HN 0.562 nan 8.250 nan 0.000 0.546 73 D N -0.291 120.221 120.400 0.186 0.000 2.295 73 D HA 0.001 4.634 4.640 -0.013 0.000 0.248 73 D C 0.305 176.719 176.300 0.190 0.000 1.154 73 D CA -0.342 53.780 54.000 0.202 0.000 0.857 73 D CB 0.563 41.449 40.800 0.143 0.000 1.117 73 D HN 0.031 nan 8.370 nan 0.000 0.468 74 W N 3.199 124.557 121.300 0.096 0.000 2.468 74 W HA -0.039 4.617 4.660 -0.007 0.000 0.262 74 W C 2.186 178.590 176.519 -0.191 0.000 1.241 74 W CA 0.111 57.384 57.345 -0.119 0.000 1.232 74 W CB 0.001 29.420 29.460 -0.069 0.000 1.124 74 W HN 0.406 nan 8.180 nan 0.000 0.597 75 R N -0.005 120.546 120.500 0.086 0.000 2.237 75 R HA -0.093 4.239 4.340 -0.013 0.000 0.219 75 R C 1.169 177.445 176.300 -0.039 0.000 1.080 75 R CA 0.887 57.001 56.100 0.022 0.000 0.995 75 R CB -0.325 29.997 30.300 0.037 0.000 0.875 75 R HN 0.164 nan 8.270 nan 0.000 0.462 76 N N -0.154 118.499 118.700 -0.079 0.000 2.280 76 N HA -0.013 4.720 4.740 -0.013 0.000 0.192 76 N C -0.062 175.283 175.510 -0.274 0.000 1.109 76 N CA 0.228 53.218 53.050 -0.100 0.000 0.855 76 N CB 0.789 39.287 38.487 0.017 0.000 0.974 76 N HN -0.032 nan 8.380 nan 0.000 0.482 77 S N -0.059 115.258 115.700 -0.637 0.000 2.554 77 S HA 0.226 4.688 4.470 -0.013 0.000 0.278 77 S C 1.319 175.723 174.600 -0.327 0.000 1.242 77 S CA -0.507 57.155 58.200 -0.897 0.000 1.051 77 S CB 0.940 63.087 63.200 -1.755 0.000 0.986 77 S HN 0.319 nan 8.310 nan 0.000 0.502 78 T N 0.818 115.258 114.554 -0.190 0.000 3.129 78 T HA 0.146 4.488 4.350 -0.013 0.000 0.251 78 T C 0.545 175.239 174.700 -0.010 0.000 1.117 78 T CA 0.021 62.081 62.100 -0.065 0.000 1.034 78 T CB -0.413 68.441 68.868 -0.024 0.000 0.968 78 T HN 0.523 nan 8.240 nan 0.000 0.526 79 T N 4.995 119.556 114.554 0.011 0.000 2.749 79 T HA 0.470 4.812 4.350 -0.013 0.000 0.295 79 T C -2.508 172.306 174.700 0.190 0.000 0.936 79 T CA -1.065 61.116 62.100 0.134 0.000 1.060 79 T CB 1.230 70.255 68.868 0.261 0.000 0.904 79 T HN 0.220 nan 8.240 nan 0.000 0.500 80 P HA 0.446 nan 4.420 nan 0.000 0.282 80 P C -0.559 176.730 177.300 -0.018 0.000 1.259 80 P CA -0.832 62.303 63.100 0.059 0.000 0.826 80 P CB 0.755 32.466 31.700 0.017 0.000 1.064 81 L N 0.831 121.968 121.223 -0.143 0.000 2.395 81 L HA 0.313 4.645 4.340 -0.013 0.000 0.269 81 L C 1.307 178.059 176.870 -0.198 0.000 1.133 81 L CA -0.402 54.239 54.840 -0.332 0.000 0.812 81 L CB 0.484 42.264 42.059 -0.465 0.000 1.125 81 L HN 0.478 nan 8.230 nan 0.000 0.452 82 T N -2.200 112.236 114.554 -0.197 0.000 2.860 82 T HA 0.027 4.369 4.350 -0.013 0.000 0.299 82 T C 1.010 175.625 174.700 -0.142 0.000 1.045 82 T CA -0.377 61.643 62.100 -0.133 0.000 1.071 82 T CB 1.070 69.869 68.868 -0.114 0.000 0.985 82 T HN 0.801 nan 8.240 nan 0.000 0.537 83 E N 1.297 121.437 120.200 -0.101 0.000 2.065 83 E HA -0.294 4.048 4.350 -0.013 0.000 0.201 83 E C 2.252 178.782 176.600 -0.117 0.000 1.016 83 E CA 1.639 57.983 56.400 -0.093 0.000 0.818 83 E CB -0.721 28.938 29.700 -0.067 0.000 0.749 83 E HN 0.842 nan 8.360 nan 0.000 0.453 84 A N 0.488 123.234 122.820 -0.123 0.000 1.972 84 A HA -0.206 4.106 4.320 -0.013 0.000 0.219 84 A C 1.938 179.401 177.584 -0.202 0.000 1.169 84 A CA 1.699 53.648 52.037 -0.146 0.000 0.635 84 A CB -0.482 18.439 19.000 -0.131 0.000 0.810 84 A HN 0.415 nan 8.150 nan 0.000 0.446 85 E N -0.379 119.683 120.200 -0.229 0.000 2.106 85 E HA -0.026 4.316 4.350 -0.013 0.000 0.192 85 E C 2.219 178.638 176.600 -0.302 0.000 0.984 85 E CA 0.879 57.093 56.400 -0.311 0.000 0.806 85 E CB -0.233 29.235 29.700 -0.387 0.000 0.750 85 E HN 0.612 nan 8.360 nan 0.000 0.458 86 A N 1.070 123.745 122.820 -0.241 0.000 2.015 86 A HA -0.029 4.283 4.320 -0.013 0.000 0.219 86 A C 2.294 179.836 177.584 -0.072 0.000 1.163 86 A CA 1.310 53.245 52.037 -0.170 0.000 0.646 86 A CB -0.442 18.490 19.000 -0.114 0.000 0.806 86 A HN 0.283 nan 8.150 nan 0.000 0.448 87 A N -0.634 122.124 122.820 -0.103 0.000 2.070 87 A HA 0.085 4.397 4.320 -0.013 0.000 0.220 87 A C 1.856 179.393 177.584 -0.078 0.000 1.159 87 A CA 1.377 53.365 52.037 -0.080 0.000 0.656 87 A CB -0.327 18.603 19.000 -0.117 0.000 0.800 87 A HN 0.480 nan 8.150 nan 0.000 0.453 88 L N -0.278 120.853 121.223 -0.153 0.000 2.731 88 L HA 0.068 4.401 4.340 -0.013 0.000 0.240 88 L C 1.686 178.499 176.870 -0.096 0.000 1.120 88 L CA 0.408 55.116 54.840 -0.219 0.000 0.913 88 L CB -0.135 41.597 42.059 -0.545 0.000 1.213 88 L HN 0.521 nan 8.230 nan 0.000 0.515 89 N N -0.821 117.825 118.700 -0.089 0.000 2.461 89 N HA -0.136 4.596 4.740 -0.013 0.000 0.188 89 N C 0.551 176.008 175.510 -0.089 0.000 1.134 89 N CA 0.303 53.291 53.050 -0.103 0.000 0.878 89 N CB -0.252 38.091 38.487 -0.239 0.000 0.972 89 N HN 0.393 nan 8.380 nan 0.000 0.456 90 H N 1.016 120.098 119.070 0.020 0.000 2.970 90 H HA 0.129 4.678 4.556 -0.012 0.000 0.226 90 H C -0.297 175.073 175.328 0.070 0.000 1.909 90 H CA -0.156 55.923 56.048 0.052 0.000 1.388 90 H CB -0.589 29.190 29.762 0.028 0.000 1.773 90 H HN 0.545 nan 8.280 nan 0.000 0.559 91 N N -0.285 118.501 118.700 0.144 0.000 2.571 91 N HA 0.113 4.846 4.740 -0.013 0.000 0.273 91 N C 1.075 176.677 175.510 0.153 0.000 1.340 91 N CA -0.972 52.162 53.050 0.140 0.000 0.789 91 N CB 0.917 39.491 38.487 0.144 0.000 1.514 91 N HN 0.094 nan 8.380 nan 0.000 0.499 92 M N -1.146 118.540 119.600 0.143 0.000 2.296 92 M HA 0.083 4.555 4.480 -0.013 0.000 0.265 92 M C 0.799 177.333 176.300 0.390 0.000 1.064 92 M CA 1.214 56.639 55.300 0.208 0.000 1.109 92 M CB -0.295 32.341 32.600 0.059 0.000 1.396 92 M HN 0.472 nan 8.290 nan 0.000 0.430 93 L N 1.600 122.973 121.223 0.249 0.000 2.217 93 L HA 0.068 4.401 4.340 -0.013 0.000 0.211 93 L C 1.027 177.933 176.870 0.059 0.000 1.107 93 L CA 1.648 56.592 54.840 0.172 0.000 0.783 93 L CB -0.420 41.686 42.059 0.078 0.000 0.919 93 L HN 0.376 nan 8.230 nan 0.000 0.442 94 E N -0.517 119.773 120.200 0.150 0.000 2.542 94 E HA 0.252 4.594 4.350 -0.013 0.000 0.224 94 E C -0.378 176.342 176.600 0.200 0.000 1.110 94 E CA -0.180 56.332 56.400 0.187 0.000 1.350 94 E CB 0.208 30.092 29.700 0.307 0.000 1.302 94 E HN 0.266 nan 8.360 nan 0.000 0.435 95 S N 0.181 116.017 115.700 0.226 0.000 2.627 95 S HA 0.448 4.910 4.470 -0.013 0.000 0.283 95 S C -0.889 173.879 174.600 0.280 0.000 1.127 95 S CA -1.053 57.290 58.200 0.238 0.000 0.863 95 S CB 2.027 65.374 63.200 0.245 0.000 1.121 95 S HN 0.058 nan 8.310 nan 0.000 0.479 96 D N 0.891 121.417 120.400 0.209 0.000 2.423 96 D HA 0.537 5.169 4.640 -0.013 0.000 0.235 96 D C -2.792 173.602 176.300 0.157 0.000 1.011 96 D CA -1.691 52.408 54.000 0.164 0.000 0.963 96 D CB 1.006 41.873 40.800 0.112 0.000 1.349 96 D HN 0.090 nan 8.370 nan 0.000 0.508 97 P HA 0.085 nan 4.420 nan 0.000 0.267 97 P C -1.546 175.800 177.300 0.076 0.000 1.200 97 P CA -0.646 62.514 63.100 0.101 0.000 0.772 97 P CB 0.230 31.965 31.700 0.057 0.000 0.855 98 P HA 0.021 nan 4.420 nan 0.000 0.230 98 P C 1.387 178.733 177.300 0.076 0.000 1.168 98 P CA 0.772 63.910 63.100 0.063 0.000 0.793 98 P CB 0.355 32.081 31.700 0.044 0.000 0.851 99 R N 0.015 120.570 120.500 0.093 0.000 2.096 99 R HA -0.179 4.153 4.340 -0.013 0.000 0.235 99 R C 2.510 178.866 176.300 0.094 0.000 1.127 99 R CA 1.167 57.322 56.100 0.092 0.000 0.968 99 R CB -0.840 29.527 30.300 0.111 0.000 0.861 99 R HN 0.264 nan 8.270 nan 0.000 0.440 100 H N -0.041 119.064 119.070 0.057 0.000 2.387 100 H HA -0.078 4.470 4.556 -0.013 0.000 0.299 100 H C 1.139 176.474 175.328 0.012 0.000 1.099 100 H CA 2.034 58.110 56.048 0.046 0.000 1.315 100 H CB 0.149 29.918 29.762 0.011 0.000 1.380 100 H HN 0.206 nan 8.280 nan 0.000 0.513 101 T N 0.784 115.339 114.554 0.002 0.000 2.777 101 T HA -0.110 4.232 4.350 -0.013 0.000 0.266 101 T C 2.157 176.815 174.700 -0.070 0.000 1.040 101 T CA 1.343 63.427 62.100 -0.027 0.000 1.141 101 T CB -0.103 68.792 68.868 0.045 0.000 0.868 101 T HN 0.357 nan 8.240 nan 0.000 0.444 102 R N 0.802 121.283 120.500 -0.032 0.000 2.066 102 R HA 0.023 4.355 4.340 -0.013 0.000 0.232 102 R C 2.382 178.658 176.300 -0.039 0.000 1.131 102 R CA 1.135 57.223 56.100 -0.020 0.000 0.955 102 R CB -0.465 29.839 30.300 0.007 0.000 0.851 102 R HN 0.339 nan 8.270 nan 0.000 0.432 103 L N 0.108 121.297 121.223 -0.057 0.000 2.046 103 L HA -0.138 4.194 4.340 -0.013 0.000 0.208 103 L C 2.894 179.714 176.870 -0.084 0.000 1.077 103 L CA 1.633 56.442 54.840 -0.051 0.000 0.747 103 L CB -0.448 41.597 42.059 -0.023 0.000 0.896 103 L HN 0.250 nan 8.230 nan 0.000 0.432 104 R N 0.623 121.004 120.500 -0.198 0.000 2.090 104 R HA -0.131 4.202 4.340 -0.013 0.000 0.228 104 R C 2.249 178.511 176.300 -0.064 0.000 1.110 104 R CA 1.132 57.127 56.100 -0.173 0.000 0.973 104 R CB 0.033 30.129 30.300 -0.339 0.000 0.869 104 R HN 0.198 nan 8.270 nan 0.000 0.440 105 K N 0.008 120.373 120.400 -0.058 0.000 2.209 105 K HA -0.103 4.209 4.320 -0.013 0.000 0.204 105 K C 1.652 178.256 176.600 0.006 0.000 1.048 105 K CA 0.713 56.991 56.287 -0.015 0.000 0.940 105 K CB 0.016 32.508 32.500 -0.014 0.000 0.729 105 K HN 0.113 nan 8.250 nan 0.000 0.451 106 L N 0.004 121.230 121.223 0.006 0.000 2.131 106 L HA -0.122 4.210 4.340 -0.013 0.000 0.210 106 L C 2.001 178.899 176.870 0.046 0.000 1.092 106 L CA 1.602 56.455 54.840 0.022 0.000 0.759 106 L CB -0.578 41.495 42.059 0.023 0.000 0.903 106 L HN 0.103 nan 8.230 nan 0.000 0.435 107 V N -5.751 114.210 119.914 0.079 0.000 3.432 107 V HA 0.432 4.545 4.120 -0.013 0.000 0.298 107 V C 2.162 178.387 176.094 0.219 0.000 1.464 107 V CA 0.404 62.799 62.300 0.158 0.000 1.046 107 V CB -0.355 31.627 31.823 0.265 0.000 0.887 107 V HN 0.092 nan 8.190 nan 0.000 0.441 108 A N 1.817 124.720 122.820 0.138 0.000 1.917 108 A HA -0.209 4.104 4.320 -0.013 0.000 0.219 108 A C 2.340 180.001 177.584 0.129 0.000 1.182 108 A CA 2.380 54.504 52.037 0.145 0.000 0.633 108 A CB -0.562 18.481 19.000 0.072 0.000 0.819 108 A HN 0.573 nan 8.150 nan 0.000 0.448 109 R N -0.425 120.111 120.500 0.061 0.000 2.189 109 R HA -0.062 4.270 4.340 -0.013 0.000 0.223 109 R C 1.529 177.805 176.300 -0.039 0.000 1.092 109 R CA 1.101 57.209 56.100 0.014 0.000 0.989 109 R CB -0.116 30.181 30.300 -0.006 0.000 0.876 109 R HN 0.532 nan 8.270 nan 0.000 0.457 110 E N -0.331 119.813 120.200 -0.093 0.000 2.358 110 E HA -0.080 4.262 4.350 -0.013 0.000 0.195 110 E C 0.589 176.852 176.600 -0.562 0.000 1.010 110 E CA 0.886 57.066 56.400 -0.366 0.000 0.856 110 E CB 0.192 29.556 29.700 -0.561 0.000 0.795 110 E HN 0.362 nan 8.360 nan 0.000 0.504 111 F N 0.803 120.748 119.950 -0.008 0.000 2.698 111 F HA 0.073 4.592 4.527 -0.013 0.000 0.304 111 F C 0.950 176.745 175.800 -0.009 0.000 1.108 111 F CA -0.460 57.534 58.000 -0.011 0.000 1.263 111 F CB 0.397 39.389 39.000 -0.013 0.000 1.013 111 F HN -0.229 nan 8.300 nan 0.000 0.532 112 T N -2.453 112.161 114.554 0.100 0.000 2.802 112 T HA 0.027 4.369 4.350 -0.013 0.000 0.305 112 T C 1.521 176.251 174.700 0.050 0.000 1.053 112 T CA -0.550 61.593 62.100 0.071 0.000 1.058 112 T CB 1.159 70.049 68.868 0.035 0.000 0.988 112 T HN 0.282 nan 8.240 nan 0.000 0.539 113 M N 0.926 120.551 119.600 0.043 0.000 2.082 113 M HA -0.169 4.304 4.480 -0.013 0.000 0.258 113 M C 2.665 178.974 176.300 0.016 0.000 1.069 113 M CA 2.122 57.441 55.300 0.031 0.000 1.102 113 M CB -0.279 32.338 32.600 0.028 0.000 1.336 113 M HN 0.863 nan 8.290 nan 0.000 0.404 114 R N -0.546 119.959 120.500 0.010 0.000 2.090 114 R HA -0.171 4.161 4.340 -0.013 0.000 0.228 114 R C 2.081 178.375 176.300 -0.011 0.000 1.110 114 R CA 1.651 57.751 56.100 0.000 0.000 0.973 114 R CB -0.590 29.709 30.300 -0.001 0.000 0.869 114 R HN 0.204 nan 8.270 nan 0.000 0.440 115 R N 0.997 121.485 120.500 -0.019 0.000 2.092 115 R HA 0.002 4.334 4.340 -0.013 0.000 0.231 115 R C 2.059 178.331 176.300 -0.048 0.000 1.119 115 R CA 1.366 57.440 56.100 -0.044 0.000 0.970 115 R CB -0.507 29.750 30.300 -0.072 0.000 0.864 115 R HN 0.169 nan 8.270 nan 0.000 0.440 116 V N 0.553 120.452 119.914 -0.025 0.000 2.515 116 V HA -0.147 3.966 4.120 -0.013 0.000 0.250 116 V C 2.026 178.115 176.094 -0.007 0.000 1.058 116 V CA 1.951 64.243 62.300 -0.012 0.000 1.064 116 V CB -0.370 31.471 31.823 0.030 0.000 0.675 116 V HN 0.366 nan 8.190 nan 0.000 0.461 117 E N 0.344 120.542 120.200 -0.004 0.000 2.204 117 E HA -0.125 4.217 4.350 -0.013 0.000 0.194 117 E C 1.941 178.536 176.600 -0.008 0.000 0.989 117 E CA 0.949 57.349 56.400 -0.001 0.000 0.824 117 E CB -0.314 29.388 29.700 0.003 0.000 0.756 117 E HN 0.600 nan 8.360 nan 0.000 0.477 118 L N -0.016 121.197 121.223 -0.017 0.000 2.265 118 L HA -0.120 4.212 4.340 -0.013 0.000 0.215 118 L C 1.946 178.803 176.870 -0.022 0.000 1.117 118 L CA 0.618 55.446 54.840 -0.021 0.000 0.782 118 L CB -0.379 41.663 42.059 -0.029 0.000 0.914 118 L HN 0.207 nan 8.230 nan 0.000 0.441 119 L N -0.722 120.487 121.223 -0.023 0.000 2.478 119 L HA -0.061 4.271 4.340 -0.013 0.000 0.223 119 L C 2.624 179.488 176.870 -0.011 0.000 1.140 119 L CA 0.287 55.114 54.840 -0.020 0.000 0.842 119 L CB -0.518 41.528 42.059 -0.023 0.000 0.953 119 L HN 0.235 nan 8.230 nan 0.000 0.452 120 R N 1.239 121.735 120.500 -0.006 0.000 2.136 120 R HA -0.223 4.110 4.340 -0.013 0.000 0.242 120 R C -0.459 175.839 176.300 -0.004 0.000 1.131 120 R CA 2.367 58.466 56.100 -0.002 0.000 0.937 120 R CB -1.247 29.053 30.300 0.001 0.000 0.863 120 R HN 0.206 nan 8.270 nan 0.000 0.435 121 P HA -0.148 nan 4.420 nan 0.000 0.215 121 P C 0.734 178.029 177.300 -0.009 0.000 1.153 121 P CA 1.334 64.430 63.100 -0.007 0.000 0.853 121 P CB -0.095 31.600 31.700 -0.008 0.000 0.788 122 R N 0.033 120.527 120.500 -0.011 0.000 2.075 122 R HA -0.063 4.269 4.340 -0.013 0.000 0.232 122 R C 1.942 178.235 176.300 -0.012 0.000 1.126 122 R CA 1.547 57.640 56.100 -0.012 0.000 0.963 122 R CB -1.545 28.745 30.300 -0.016 0.000 0.858 122 R HN -0.033 nan 8.270 nan 0.000 0.435 123 V N 0.853 120.760 119.914 -0.010 0.000 2.343 123 V HA -0.237 3.875 4.120 -0.013 0.000 0.247 123 V C 2.349 178.437 176.094 -0.009 0.000 1.051 123 V CA 2.139 64.433 62.300 -0.009 0.000 1.036 123 V CB -0.630 31.192 31.823 -0.002 0.000 0.654 123 V HN 0.385 nan 8.190 nan 0.000 0.451 124 Q N 0.393 120.189 119.800 -0.007 0.000 2.135 124 Q HA -0.255 4.078 4.340 -0.013 0.000 0.204 124 Q C 2.166 178.160 176.000 -0.011 0.000 0.981 124 Q CA 2.347 58.146 55.803 -0.008 0.000 0.856 124 Q CB -0.330 28.405 28.738 -0.006 0.000 0.902 124 Q HN 0.743 nan 8.270 nan 0.000 0.425 125 E N -0.710 119.483 120.200 -0.011 0.000 2.072 125 E HA -0.151 4.192 4.350 -0.013 0.000 0.191 125 E C 1.871 178.463 176.600 -0.013 0.000 0.985 125 E CA 1.133 57.526 56.400 -0.011 0.000 0.801 125 E CB -0.151 29.543 29.700 -0.010 0.000 0.750 125 E HN 0.490 nan 8.360 nan 0.000 0.452 126 I N 0.318 120.879 120.570 -0.015 0.000 2.179 126 I HA -0.273 3.890 4.170 -0.013 0.000 0.242 126 I C 2.375 178.481 176.117 -0.019 0.000 1.088 126 I CA 0.791 62.081 61.300 -0.018 0.000 1.357 126 I CB -0.188 37.799 38.000 -0.023 0.000 1.051 126 I HN 0.069 nan 8.210 nan 0.000 0.409 127 V N 0.654 120.557 119.914 -0.019 0.000 2.307 127 V HA -0.289 3.823 4.120 -0.013 0.000 0.245 127 V C 2.102 178.179 176.094 -0.028 0.000 1.045 127 V CA 1.987 64.274 62.300 -0.023 0.000 1.024 127 V CB -0.655 31.157 31.823 -0.019 0.000 0.651 127 V HN 0.388 nan 8.190 nan 0.000 0.449 128 D N 0.708 121.093 120.400 -0.025 0.000 2.126 128 D HA -0.175 4.457 4.640 -0.013 0.000 0.190 128 D C 2.174 178.458 176.300 -0.027 0.000 1.001 128 D CA 1.869 55.853 54.000 -0.027 0.000 0.841 128 D CB -0.745 40.043 40.800 -0.019 0.000 0.949 128 D HN 0.467 nan 8.370 nan 0.000 0.446 129 G N 0.378 109.166 108.800 -0.020 0.000 2.418 129 G HA2 -0.193 3.760 3.960 -0.013 0.000 0.217 129 G HA3 -0.193 3.760 3.960 -0.013 0.000 0.217 129 G C 1.818 176.708 174.900 -0.017 0.000 1.158 129 G CA 0.422 45.513 45.100 -0.015 0.000 0.771 129 G HN 0.265 nan 8.290 nan 0.000 0.545 130 L N 0.178 121.390 121.223 -0.020 0.000 2.056 130 L HA -0.064 4.269 4.340 -0.013 0.000 0.207 130 L C 2.978 179.825 176.870 -0.038 0.000 1.078 130 L CA 0.430 55.259 54.840 -0.019 0.000 0.749 130 L CB -0.431 41.619 42.059 -0.015 0.000 0.901 130 L HN 0.094 nan 8.230 nan 0.000 0.433 131 V N -0.514 119.364 119.914 -0.060 0.000 2.379 131 V HA -0.248 3.864 4.120 -0.013 0.000 0.245 131 V C 2.093 178.127 176.094 -0.100 0.000 1.044 131 V CA 1.638 63.874 62.300 -0.107 0.000 1.036 131 V CB -0.524 31.227 31.823 -0.120 0.000 0.664 131 V HN 0.385 nan 8.190 nan 0.000 0.453 132 D N 0.937 121.301 120.400 -0.059 0.000 2.126 132 D HA -0.211 4.422 4.640 -0.013 0.000 0.190 132 D C 2.210 178.499 176.300 -0.018 0.000 1.001 132 D CA 1.984 55.962 54.000 -0.036 0.000 0.841 132 D CB -0.403 40.387 40.800 -0.018 0.000 0.949 132 D HN 0.448 nan 8.370 nan 0.000 0.446 133 A N 0.370 123.184 122.820 -0.010 0.000 1.969 133 A HA -0.113 4.199 4.320 -0.013 0.000 0.218 133 A C 2.159 179.760 177.584 0.029 0.000 1.169 133 A CA 1.346 53.391 52.037 0.014 0.000 0.635 133 A CB -0.521 18.489 19.000 0.017 0.000 0.810 133 A HN 0.234 nan 8.150 nan 0.000 0.445 134 M N -0.630 118.964 119.600 -0.010 0.000 2.254 134 M HA 0.033 4.505 4.480 -0.013 0.000 0.265 134 M C 1.502 177.836 176.300 0.057 0.000 1.066 134 M CA 1.252 56.554 55.300 0.003 0.000 1.123 134 M CB -0.171 32.360 32.600 -0.115 0.000 1.388 134 M HN 0.394 nan 8.290 nan 0.000 0.425 135 L N -0.043 121.155 121.223 -0.041 0.000 2.465 135 L HA -0.044 4.289 4.340 -0.013 0.000 0.224 135 L C 2.428 179.423 176.870 0.209 0.000 1.145 135 L CA 0.458 55.331 54.840 0.055 0.000 0.834 135 L CB -0.722 41.294 42.059 -0.072 0.000 0.944 135 L HN 0.334 nan 8.230 nan 0.000 0.451 136 A N 0.441 123.348 122.820 0.145 0.000 2.172 136 A HA 0.130 4.442 4.320 -0.013 0.000 0.216 136 A C 1.434 179.105 177.584 0.146 0.000 1.154 136 A CA 0.641 52.752 52.037 0.122 0.000 0.701 136 A CB -0.426 18.620 19.000 0.077 0.000 0.789 136 A HN 0.293 nan 8.150 nan 0.000 0.465 137 A N 0.905 123.861 122.820 0.227 0.000 2.515 137 A HA 0.432 4.744 4.320 -0.013 0.000 0.263 137 A C -0.769 176.862 177.584 0.079 0.000 1.096 137 A CA -0.771 51.364 52.037 0.163 0.000 0.769 137 A CB 0.017 19.146 19.000 0.215 0.000 1.040 137 A HN 0.279 nan 8.150 nan 0.000 0.505 138 P HA -0.142 nan 4.420 nan 0.000 0.216 138 P C 0.658 177.915 177.300 -0.072 0.000 1.153 138 P CA 1.408 64.504 63.100 -0.007 0.000 0.848 138 P CB -0.012 31.685 31.700 -0.006 0.000 0.787 139 D N -0.583 119.749 120.400 -0.113 0.000 2.338 139 D HA 0.034 4.666 4.640 -0.013 0.000 0.239 139 D C 1.106 177.183 176.300 -0.371 0.000 1.095 139 D CA 0.321 54.210 54.000 -0.184 0.000 0.888 139 D CB -1.494 39.217 40.800 -0.149 0.000 0.899 139 D HN 0.173 nan 8.370 nan 0.000 0.525 140 G N 0.870 109.379 108.800 -0.485 0.000 2.441 140 G HA2 -0.349 3.603 3.960 -0.013 0.000 0.298 140 G HA3 -0.349 3.603 3.960 -0.013 0.000 0.298 140 G C -0.000 173.866 174.900 -1.723 0.000 0.949 140 G CA 0.354 44.682 45.100 -1.287 0.000 1.072 140 G HN 0.478 nan 8.290 nan 0.000 0.512 141 R N -0.673 119.245 120.500 -0.970 0.000 2.854 141 R HA 0.895 5.227 4.340 -0.013 0.000 0.271 141 R C -0.078 176.178 176.300 -0.074 0.000 0.996 141 R CA -0.083 55.698 56.100 -0.531 0.000 0.961 141 R CB 2.147 32.297 30.300 -0.251 0.000 1.182 141 R HN 0.929 nan 8.270 nan 0.000 0.479 142 A N 0.806 123.718 122.820 0.153 0.000 2.583 142 A HA 0.262 4.574 4.320 -0.013 0.000 0.292 142 A C -2.027 175.653 177.584 0.161 0.000 1.045 142 A CA -0.790 51.394 52.037 0.244 0.000 0.672 142 A CB 1.614 20.873 19.000 0.431 0.000 1.283 142 A HN 0.643 nan 8.150 nan 0.000 0.419 143 D N 1.110 121.575 120.400 0.108 0.000 2.347 143 D HA 0.348 4.980 4.640 -0.013 0.000 0.235 143 D C 0.923 177.273 176.300 0.083 0.000 1.149 143 D CA -0.433 53.610 54.000 0.071 0.000 0.850 143 D CB 1.103 41.925 40.800 0.036 0.000 1.061 143 D HN 0.460 nan 8.370 nan 0.000 0.487 144 L N 4.778 126.050 121.223 0.080 0.000 2.127 144 L HA -0.092 4.240 4.340 -0.013 0.000 0.211 144 L C 1.872 178.787 176.870 0.074 0.000 1.089 144 L CA 1.619 56.502 54.840 0.072 0.000 0.757 144 L CB -0.546 41.552 42.059 0.064 0.000 0.899 144 L HN 0.598 nan 8.230 nan 0.000 0.434 145 M N -0.316 119.327 119.600 0.070 0.000 2.086 145 M HA -0.217 4.256 4.480 -0.013 0.000 0.261 145 M C 2.230 178.620 176.300 0.150 0.000 1.067 145 M CA 2.132 57.496 55.300 0.108 0.000 1.116 145 M CB -0.577 32.069 32.600 0.077 0.000 1.348 145 M HN 0.446 nan 8.290 nan 0.000 0.407 146 E N -1.295 118.966 120.200 0.102 0.000 2.152 146 E HA -0.118 4.224 4.350 -0.013 0.000 0.192 146 E C 1.620 178.291 176.600 0.118 0.000 0.983 146 E CA 1.357 57.820 56.400 0.104 0.000 0.818 146 E CB 0.029 29.761 29.700 0.053 0.000 0.758 146 E HN 0.555 nan 8.360 nan 0.000 0.467 147 S N -0.084 115.673 115.700 0.095 0.000 2.446 147 S HA 0.006 4.468 4.470 -0.013 0.000 0.225 147 S C 1.405 176.041 174.600 0.060 0.000 1.016 147 S CA 0.586 58.830 58.200 0.074 0.000 0.943 147 S CB 0.253 63.488 63.200 0.058 0.000 0.786 147 S HN 0.251 nan 8.310 nan 0.000 0.508 148 L N -0.360 120.904 121.223 0.069 0.000 2.603 148 L HA 0.551 4.883 4.340 -0.013 0.000 0.189 148 L C 1.922 178.827 176.870 0.058 0.000 1.082 148 L CA 0.967 55.832 54.840 0.042 0.000 0.921 148 L CB -1.096 40.971 42.059 0.013 0.000 1.694 148 L HN 0.061 nan 8.230 nan 0.000 0.491 149 A N 0.089 122.964 122.820 0.091 0.000 1.877 149 A HA -0.242 4.070 4.320 -0.013 0.000 0.216 149 A C 2.152 179.814 177.584 0.130 0.000 1.186 149 A CA 2.047 54.146 52.037 0.104 0.000 0.620 149 A CB -1.341 17.735 19.000 0.128 0.000 0.822 149 A HN 0.743 nan 8.150 nan 0.000 0.443 150 W N 1.667 122.986 121.300 0.032 0.000 2.380 150 W HA -0.085 4.566 4.660 -0.014 0.000 0.317 150 W C -1.117 175.405 176.519 0.005 0.000 1.196 150 W CA 2.097 59.455 57.345 0.021 0.000 1.307 150 W CB -1.139 28.325 29.460 0.007 0.000 1.157 150 W HN 0.301 nan 8.180 nan 0.000 0.483 151 P HA -0.217 nan 4.420 nan 0.000 0.218 151 P C 1.951 179.122 177.300 -0.215 0.000 1.148 151 P CA 1.497 64.498 63.100 -0.165 0.000 0.822 151 P CB -0.440 31.292 31.700 0.054 0.000 0.784 152 L N 1.105 122.242 121.223 -0.143 0.000 1.994 152 L HA 0.016 4.348 4.340 -0.013 0.000 0.208 152 L C -0.783 175.999 176.870 -0.146 0.000 1.071 152 L CA 2.667 57.443 54.840 -0.106 0.000 0.745 152 L CB -2.360 39.668 42.059 -0.051 0.000 0.892 152 L HN -0.032 nan 8.230 nan 0.000 0.431 153 P HA -0.122 nan 4.420 nan 0.000 0.216 153 P C 2.110 179.285 177.300 -0.209 0.000 1.153 153 P CA 1.567 64.571 63.100 -0.161 0.000 0.848 153 P CB -0.124 31.493 31.700 -0.139 0.000 0.787 154 I N -1.103 119.214 120.570 -0.421 0.000 2.286 154 I HA -0.225 3.937 4.170 -0.013 0.000 0.248 154 I C 1.678 177.676 176.117 -0.198 0.000 1.115 154 I CA 1.711 62.792 61.300 -0.365 0.000 1.392 154 I CB -0.553 37.040 38.000 -0.678 0.000 1.065 154 I HN -0.076 nan 8.210 nan 0.000 0.418 155 T N 0.126 114.572 114.554 -0.179 0.000 2.708 155 T HA -0.143 4.200 4.350 -0.013 0.000 0.266 155 T C 1.910 176.568 174.700 -0.069 0.000 1.037 155 T CA 1.797 63.838 62.100 -0.099 0.000 1.146 155 T CB -0.362 68.460 68.868 -0.076 0.000 0.865 155 T HN 0.203 nan 8.240 nan 0.000 0.435 156 V N 1.143 121.017 119.914 -0.067 0.000 2.261 156 V HA -0.116 3.997 4.120 -0.013 0.000 0.246 156 V C 2.358 178.436 176.094 -0.027 0.000 1.047 156 V CA 1.434 63.711 62.300 -0.038 0.000 1.015 156 V CB -0.562 31.246 31.823 -0.025 0.000 0.642 156 V HN 0.345 nan 8.190 nan 0.000 0.446 157 I N -0.045 120.508 120.570 -0.029 0.000 2.394 157 I HA -0.162 4.000 4.170 -0.013 0.000 0.251 157 I C 2.468 178.570 176.117 -0.024 0.000 1.136 157 I CA 1.422 62.717 61.300 -0.009 0.000 1.425 157 I CB -0.228 37.760 38.000 -0.019 0.000 1.079 157 I HN 0.199 nan 8.210 nan 0.000 0.425 158 S N 0.123 115.793 115.700 -0.051 0.000 2.382 158 S HA -0.197 4.265 4.470 -0.013 0.000 0.228 158 S C 1.853 176.442 174.600 -0.018 0.000 1.027 158 S CA 1.494 59.666 58.200 -0.048 0.000 0.991 158 S CB -0.321 62.840 63.200 -0.065 0.000 0.823 158 S HN 0.547 nan 8.310 nan 0.000 0.469 159 E N 0.683 120.871 120.200 -0.020 0.000 2.028 159 E HA -0.088 4.255 4.350 -0.013 0.000 0.190 159 E C 2.118 178.708 176.600 -0.015 0.000 0.984 159 E CA 0.860 57.251 56.400 -0.014 0.000 0.800 159 E CB -0.270 29.419 29.700 -0.019 0.000 0.758 159 E HN 0.243 nan 8.360 nan 0.000 0.448 160 L N 0.684 121.894 121.223 -0.021 0.000 2.043 160 L HA -0.204 4.128 4.340 -0.013 0.000 0.212 160 L C 1.931 178.787 176.870 -0.023 0.000 1.075 160 L CA 1.661 56.479 54.840 -0.036 0.000 0.752 160 L CB -0.205 41.831 42.059 -0.039 0.000 0.891 160 L HN 0.089 nan 8.230 nan 0.000 0.432 161 L N -0.504 120.720 121.223 0.001 0.000 2.202 161 L HA 0.339 4.671 4.340 -0.013 0.000 0.205 161 L C 1.490 178.374 176.870 0.024 0.000 1.083 161 L CA 1.118 55.969 54.840 0.020 0.000 0.790 161 L CB -0.543 41.538 42.059 0.037 0.000 0.942 161 L HN 0.474 nan 8.230 nan 0.000 0.452 162 G N -0.528 108.286 108.800 0.024 0.000 2.237 162 G HA2 -0.142 3.811 3.960 -0.013 0.000 0.153 162 G HA3 -0.142 3.811 3.960 -0.013 0.000 0.153 162 G C -0.341 174.598 174.900 0.065 0.000 1.039 162 G CA -0.205 44.916 45.100 0.035 0.000 0.719 162 G HN 0.017 nan 8.290 nan 0.000 0.491 163 V N 1.312 121.267 119.914 0.069 0.000 2.385 163 V HA 0.383 4.495 4.120 -0.013 0.000 0.269 163 V C -1.466 174.694 176.094 0.109 0.000 1.043 163 V CA -1.588 60.789 62.300 0.128 0.000 0.906 163 V CB 1.317 33.190 31.823 0.084 0.000 0.995 163 V HN 0.198 nan 8.190 nan 0.000 0.467 164 P HA 0.016 nan 4.420 nan 0.000 0.265 164 P C 1.029 178.383 177.300 0.090 0.000 1.193 164 P CA 0.106 63.270 63.100 0.107 0.000 0.765 164 P CB 0.656 32.434 31.700 0.129 0.000 0.823 165 E N 5.423 125.657 120.200 0.057 0.000 2.108 165 E HA -0.222 4.120 4.350 -0.013 0.000 0.203 165 E C -0.984 175.642 176.600 0.044 0.000 1.022 165 E CA 2.419 58.843 56.400 0.041 0.000 0.823 165 E CB -1.673 28.044 29.700 0.028 0.000 0.744 165 E HN 0.365 nan 8.360 nan 0.000 0.456 166 P HA 0.004 nan 4.420 nan 0.000 0.237 166 P C 0.176 177.490 177.300 0.024 0.000 1.178 166 P CA 0.888 64.007 63.100 0.032 0.000 0.766 166 P CB 0.009 31.730 31.700 0.034 0.000 0.876 167 D N -1.213 119.222 120.400 0.058 0.000 2.349 167 D HA 0.053 4.686 4.640 -0.013 0.000 0.215 167 D C 1.791 178.127 176.300 0.061 0.000 1.016 167 D CA 0.374 54.389 54.000 0.027 0.000 0.870 167 D CB -0.161 40.736 40.800 0.161 0.000 0.917 167 D HN 0.164 nan 8.370 nan 0.000 0.524 168 R N 0.558 121.108 120.500 0.084 0.000 2.153 168 R HA 0.136 4.468 4.340 -0.013 0.000 0.218 168 R C 2.052 178.442 176.300 0.150 0.000 1.072 168 R CA 0.907 57.086 56.100 0.132 0.000 0.990 168 R CB 0.014 30.347 30.300 0.055 0.000 0.889 168 R HN 0.056 nan 8.270 nan 0.000 0.452 169 A N 1.250 124.087 122.820 0.028 0.000 1.968 169 A HA -0.004 4.309 4.320 -0.013 0.000 0.217 169 A C 2.335 179.791 177.584 -0.214 0.000 1.169 169 A CA 1.260 53.274 52.037 -0.038 0.000 0.638 169 A CB -0.461 18.499 19.000 -0.067 0.000 0.812 169 A HN 0.336 nan 8.150 nan 0.000 0.446 170 A N -0.945 121.658 122.820 -0.363 0.000 2.042 170 A HA -0.137 4.176 4.320 -0.013 0.000 0.222 170 A C 1.857 178.809 177.584 -1.053 0.000 1.167 170 A CA 1.693 53.219 52.037 -0.851 0.000 0.649 170 A CB -0.796 17.524 19.000 -1.132 0.000 0.809 170 A HN 0.493 nan 8.150 nan 0.000 0.457 171 F N -0.749 118.907 119.950 -0.490 0.000 2.259 171 F HA -0.027 4.493 4.527 -0.012 0.000 0.298 171 F C 2.379 178.091 175.800 -0.148 0.000 1.088 171 F CA 1.479 59.417 58.000 -0.104 0.000 1.358 171 F CB -0.265 38.834 39.000 0.165 0.000 1.040 171 F HN 0.180 nan 8.300 nan 0.000 0.505 172 R N 0.385 120.825 120.500 -0.099 0.000 2.091 172 R HA -0.148 4.184 4.340 -0.013 0.000 0.238 172 R C 2.094 178.032 176.300 -0.603 0.000 1.136 172 R CA 1.581 57.237 56.100 -0.739 0.000 0.959 172 R CB -0.517 29.110 30.300 -1.122 0.000 0.856 172 R HN 0.149 nan 8.270 nan 0.000 0.437 173 V N 0.030 119.626 119.914 -0.530 0.000 2.252 173 V HA -0.294 3.819 4.120 -0.013 0.000 0.249 173 V C 2.195 178.008 176.094 -0.467 0.000 1.056 173 V CA 1.878 63.873 62.300 -0.509 0.000 1.022 173 V CB -0.678 30.809 31.823 -0.560 0.000 0.641 173 V HN 0.469 nan 8.190 nan 0.000 0.445 174 W N 0.513 121.527 121.300 -0.476 0.000 2.358 174 W HA -0.119 4.537 4.660 -0.008 0.000 0.303 174 W C 2.680 178.526 176.519 -1.122 0.000 1.208 174 W CA 1.739 58.621 57.345 -0.772 0.000 1.274 174 W CB -1.926 27.131 29.460 -0.672 0.000 1.138 174 W HN 0.298 nan 8.180 nan 0.000 0.515 175 T N 0.740 115.063 114.554 -0.384 0.000 2.635 175 T HA -0.226 4.116 4.350 -0.013 0.000 0.267 175 T C 1.205 175.617 174.700 -0.480 0.000 1.040 175 T CA 2.088 64.041 62.100 -0.244 0.000 1.156 175 T CB -0.675 68.267 68.868 0.124 0.000 0.863 175 T HN -0.049 nan 8.240 nan 0.000 0.430 176 D N 1.380 121.392 120.400 -0.646 0.000 2.172 176 D HA -0.092 4.541 4.640 -0.013 0.000 0.196 176 D C 2.177 177.917 176.300 -0.933 0.000 0.999 176 D CA 1.375 54.723 54.000 -1.088 0.000 0.856 176 D CB -0.439 39.804 40.800 -0.928 0.000 0.934 176 D HN 0.487 nan 8.370 nan 0.000 0.453 177 A N -0.723 121.754 122.820 -0.573 0.000 2.067 177 A HA 0.020 4.333 4.320 -0.013 0.000 0.217 177 A C 1.949 179.474 177.584 -0.098 0.000 1.156 177 A CA 0.354 52.201 52.037 -0.317 0.000 0.683 177 A CB -0.583 18.287 19.000 -0.218 0.000 0.808 177 A HN 0.245 nan 8.150 nan 0.000 0.455 178 F N -1.308 118.569 119.950 -0.120 0.000 2.317 178 F HA -0.025 4.494 4.527 -0.014 0.000 0.293 178 F C 2.201 177.943 175.800 -0.096 0.000 1.085 178 F CA 0.409 58.370 58.000 -0.064 0.000 1.390 178 F CB 0.070 39.070 39.000 -0.001 0.000 1.077 178 F HN 0.020 nan 8.300 nan 0.000 0.517 179 V N -0.214 119.667 119.914 -0.056 0.000 2.331 179 V HA -0.147 3.965 4.120 -0.013 0.000 0.242 179 V C 0.242 176.276 176.094 -0.100 0.000 1.034 179 V CA 1.197 63.398 62.300 -0.165 0.000 1.027 179 V CB -0.327 31.244 31.823 -0.419 0.000 0.667 179 V HN 0.330 nan 8.190 nan 0.000 0.457 180 F N 0.372 120.254 119.950 -0.113 0.000 2.531 180 F HA 0.693 5.213 4.527 -0.012 0.000 0.333 180 F C -3.097 172.706 175.800 0.005 0.000 1.292 180 F CA -3.776 54.206 58.000 -0.029 0.000 1.184 180 F CB -0.648 38.349 39.000 -0.005 0.000 1.426 180 F HN 0.002 nan 8.300 nan 0.000 0.559 181 P HA 0.199 nan 4.420 nan 0.000 0.276 181 P C 0.159 177.545 177.300 0.144 0.000 1.230 181 P CA -0.062 63.102 63.100 0.108 0.000 0.776 181 P CB 1.196 32.951 31.700 0.091 0.000 0.888 182 D N 0.854 121.329 120.400 0.125 0.000 2.265 182 D HA -0.092 4.540 4.640 -0.013 0.000 0.208 182 D C 0.387 176.733 176.300 0.076 0.000 0.977 182 D CA 1.840 55.900 54.000 0.099 0.000 0.871 182 D CB -0.058 40.788 40.800 0.077 0.000 0.925 182 D HN 0.579 nan 8.370 nan 0.000 0.485 183 D N -4.066 116.377 120.400 0.073 0.000 2.798 183 D HA 0.030 4.662 4.640 -0.013 0.000 0.265 183 D C -2.571 173.766 176.300 0.061 0.000 1.223 183 D CA -1.061 52.976 54.000 0.062 0.000 0.743 183 D CB 0.631 41.460 40.800 0.048 0.000 1.276 183 D HN -0.278 nan 8.370 nan 0.000 0.421 184 P HA 0.050 nan 4.420 nan 0.000 0.222 184 P C 1.183 178.508 177.300 0.042 0.000 1.147 184 P CA 2.162 65.293 63.100 0.052 0.000 0.790 184 P CB 0.090 31.818 31.700 0.047 0.000 0.780 185 A N -0.335 122.507 122.820 0.036 0.000 2.066 185 A HA -0.192 4.120 4.320 -0.013 0.000 0.218 185 A C 2.337 179.942 177.584 0.035 0.000 1.157 185 A CA 1.287 53.341 52.037 0.028 0.000 0.670 185 A CB -1.026 17.987 19.000 0.022 0.000 0.804 185 A HN 0.228 nan 8.150 nan 0.000 0.453 186 Q N -0.110 119.716 119.800 0.044 0.000 2.020 186 Q HA -0.052 4.280 4.340 -0.013 0.000 0.198 186 Q C 2.126 178.168 176.000 0.070 0.000 0.974 186 Q CA 1.687 57.519 55.803 0.048 0.000 0.829 186 Q CB -0.422 28.342 28.738 0.044 0.000 0.894 186 Q HN 0.493 nan 8.270 nan 0.000 0.433 187 A N 0.710 123.587 122.820 0.096 0.000 1.908 187 A HA -0.224 4.088 4.320 -0.013 0.000 0.218 187 A C 2.104 179.782 177.584 0.157 0.000 1.181 187 A CA 1.598 53.744 52.037 0.181 0.000 0.627 187 A CB -0.601 18.505 19.000 0.175 0.000 0.818 187 A HN 0.503 nan 8.150 nan 0.000 0.445 188 Q N -0.634 119.205 119.800 0.064 0.000 2.119 188 Q HA -0.115 4.218 4.340 -0.013 0.000 0.201 188 Q C 2.166 178.169 176.000 0.006 0.000 0.972 188 Q CA 1.954 57.763 55.803 0.011 0.000 0.847 188 Q CB -0.940 27.791 28.738 -0.010 0.000 0.903 188 Q HN 0.668 nan 8.270 nan 0.000 0.433 189 T N 1.441 116.010 114.554 0.024 0.000 2.737 189 T HA -0.059 4.284 4.350 -0.013 0.000 0.265 189 T C 1.923 176.623 174.700 -0.000 0.000 1.038 189 T CA 1.311 63.418 62.100 0.012 0.000 1.144 189 T CB -0.254 68.632 68.868 0.030 0.000 0.866 189 T HN 0.406 nan 8.240 nan 0.000 0.434 190 A N 1.581 124.427 122.820 0.045 0.000 1.892 190 A HA -0.152 4.160 4.320 -0.013 0.000 0.218 190 A C 2.357 179.855 177.584 -0.142 0.000 1.188 190 A CA 1.763 53.789 52.037 -0.017 0.000 0.631 190 A CB -0.762 18.278 19.000 0.066 0.000 0.822 190 A HN 0.443 nan 8.150 nan 0.000 0.447 191 M N -0.898 118.756 119.600 0.090 0.000 2.080 191 M HA -0.197 4.275 4.480 -0.013 0.000 0.260 191 M C 2.579 178.764 176.300 -0.192 0.000 1.068 191 M CA 1.665 56.932 55.300 -0.055 0.000 1.109 191 M CB -0.444 32.073 32.600 -0.139 0.000 1.342 191 M HN 0.515 nan 8.290 nan 0.000 0.405 192 A N -0.033 122.698 122.820 -0.148 0.000 1.930 192 A HA -0.171 4.141 4.320 -0.013 0.000 0.217 192 A C 1.859 179.342 177.584 -0.168 0.000 1.175 192 A CA 1.654 53.608 52.037 -0.138 0.000 0.627 192 A CB -0.670 18.280 19.000 -0.084 0.000 0.815 192 A HN 0.545 nan 8.150 nan 0.000 0.443 193 E N -0.933 119.140 120.200 -0.213 0.000 2.051 193 E HA -0.219 4.124 4.350 -0.013 0.000 0.192 193 E C 2.070 178.367 176.600 -0.506 0.000 0.991 193 E CA 1.454 57.713 56.400 -0.235 0.000 0.799 193 E CB -0.272 29.360 29.700 -0.113 0.000 0.748 193 E HN 0.733 nan 8.360 nan 0.000 0.449 194 M N 0.715 119.698 119.600 -1.028 0.000 2.117 194 M HA -0.186 4.286 4.480 -0.013 0.000 0.262 194 M C 2.452 178.553 176.300 -0.331 0.000 1.065 194 M CA 1.680 56.283 55.300 -1.162 0.000 1.114 194 M CB -0.037 31.982 32.600 -0.967 0.000 1.361 194 M HN 0.056 nan 8.290 nan 0.000 0.408 195 S N -0.024 115.525 115.700 -0.251 0.000 2.368 195 S HA -0.069 4.393 4.470 -0.013 0.000 0.224 195 S C 2.005 176.557 174.600 -0.081 0.000 1.029 195 S CA 1.520 59.639 58.200 -0.136 0.000 0.988 195 S CB -1.054 62.045 63.200 -0.168 0.000 0.838 195 S HN 0.668 nan 8.310 nan 0.000 0.462 196 G N 0.141 108.895 108.800 -0.077 0.000 2.476 196 G HA2 -0.275 3.677 3.960 -0.013 0.000 0.218 196 G HA3 -0.275 3.677 3.960 -0.013 0.000 0.218 196 G C 1.364 176.282 174.900 0.030 0.000 1.164 196 G CA 1.183 46.272 45.100 -0.019 0.000 0.768 196 G HN 0.682 nan 8.290 nan 0.000 0.560 197 Y N 1.095 121.378 120.300 -0.029 0.000 2.224 197 Y HA 0.027 4.570 4.550 -0.013 0.000 0.289 197 Y C 2.478 178.439 175.900 0.102 0.000 1.146 197 Y CA 1.287 59.431 58.100 0.073 0.000 1.182 197 Y CB -0.185 38.378 38.460 0.172 0.000 0.983 197 Y HN 0.128 nan 8.280 nan 0.000 0.524 198 L N -1.097 120.061 121.223 -0.108 0.000 2.109 198 L HA -0.174 4.159 4.340 -0.013 0.000 0.207 198 L C 2.537 179.324 176.870 -0.138 0.000 1.086 198 L CA 1.241 56.009 54.840 -0.120 0.000 0.760 198 L CB -0.651 41.460 42.059 0.087 0.000 0.910 198 L HN 0.106 nan 8.230 nan 0.000 0.437 199 S N -0.257 115.387 115.700 -0.095 0.000 2.383 199 S HA -0.165 4.298 4.470 -0.013 0.000 0.229 199 S C 2.063 176.607 174.600 -0.093 0.000 1.030 199 S CA 1.257 59.413 58.200 -0.075 0.000 1.002 199 S CB -0.166 63.003 63.200 -0.052 0.000 0.829 199 S HN 0.372 nan 8.310 nan 0.000 0.467 200 R N 0.187 120.609 120.500 -0.130 0.000 2.090 200 R HA 0.059 4.391 4.340 -0.013 0.000 0.228 200 R C 2.331 178.540 176.300 -0.150 0.000 1.110 200 R CA 0.837 56.872 56.100 -0.108 0.000 0.973 200 R CB -0.511 29.750 30.300 -0.065 0.000 0.869 200 R HN 0.280 nan 8.270 nan 0.000 0.440 201 L N 1.373 122.412 121.223 -0.307 0.000 2.017 201 L HA -0.137 4.195 4.340 -0.013 0.000 0.208 201 L C 1.976 178.785 176.870 -0.103 0.000 1.073 201 L CA 1.617 56.308 54.840 -0.248 0.000 0.745 201 L CB -0.310 41.510 42.059 -0.398 0.000 0.894 201 L HN 0.088 nan 8.230 nan 0.000 0.432 202 I N -0.194 120.322 120.570 -0.090 0.000 2.118 202 I HA -0.342 3.820 4.170 -0.013 0.000 0.241 202 I C 2.218 178.316 176.117 -0.032 0.000 1.070 202 I CA 1.944 63.221 61.300 -0.040 0.000 1.327 202 I CB -0.493 37.489 38.000 -0.030 0.000 1.034 202 I HN 0.337 nan 8.210 nan 0.000 0.405 203 D N 0.176 120.553 120.400 -0.039 0.000 2.221 203 D HA -0.167 4.465 4.640 -0.013 0.000 0.204 203 D C 2.226 178.516 176.300 -0.016 0.000 0.982 203 D CA 1.431 55.416 54.000 -0.025 0.000 0.857 203 D CB 0.032 40.818 40.800 -0.023 0.000 0.934 203 D HN 0.360 nan 8.370 nan 0.000 0.475 204 S N -1.043 114.646 115.700 -0.019 0.000 2.489 204 S HA -0.030 4.433 4.470 -0.013 0.000 0.228 204 S C 1.674 176.275 174.600 0.002 0.000 0.995 204 S CA 0.221 58.419 58.200 -0.004 0.000 0.934 204 S CB -0.051 63.150 63.200 0.002 0.000 0.771 204 S HN 0.037 nan 8.310 nan 0.000 0.522 205 K N 1.359 121.758 120.400 -0.002 0.000 2.296 205 K HA 0.189 4.502 4.320 -0.013 0.000 0.200 205 K C 0.676 177.277 176.600 0.002 0.000 1.048 205 K CA 0.220 56.509 56.287 0.003 0.000 0.966 205 K CB -0.245 32.257 32.500 0.003 0.000 0.754 205 K HN 0.463 nan 8.250 nan 0.000 0.466 206 R N 0.464 120.964 120.500 -0.001 0.000 2.489 206 R HA 0.090 4.423 4.340 -0.013 0.000 0.287 206 R C 0.883 177.184 176.300 0.001 0.000 1.053 206 R CA 0.839 56.939 56.100 -0.001 0.000 1.036 206 R CB 0.047 30.345 30.300 -0.003 0.000 0.966 206 R HN 0.420 nan 8.270 nan 0.000 0.432 207 G N 2.056 110.857 108.800 0.001 0.000 2.168 207 G HA2 -0.278 3.675 3.960 -0.013 0.000 0.263 207 G HA3 -0.278 3.675 3.960 -0.013 0.000 0.263 207 G C 0.677 175.578 174.900 0.003 0.000 0.977 207 G CA 0.101 45.202 45.100 0.002 0.000 0.659 207 G HN 0.565 nan 8.290 nan 0.000 0.533 208 Q N 0.075 119.878 119.800 0.004 0.000 2.319 208 Q HA 0.168 4.500 4.340 -0.013 0.000 0.202 208 Q C 0.862 176.865 176.000 0.005 0.000 0.896 208 Q CA 0.687 56.494 55.803 0.006 0.000 0.942 208 Q CB 0.298 29.041 28.738 0.008 0.000 1.083 208 Q HN 0.605 nan 8.270 nan 0.000 0.510 209 D N 0.220 120.622 120.400 0.003 0.000 2.911 209 D HA -0.145 4.487 4.640 -0.013 0.000 0.227 209 D C 0.456 176.757 176.300 0.001 0.000 1.164 209 D CA 1.318 55.319 54.000 0.001 0.000 0.782 209 D CB -1.582 39.219 40.800 0.001 0.000 1.094 209 D HN 0.377 nan 8.370 nan 0.000 0.425 210 G N 0.086 108.888 108.800 0.003 0.000 2.484 210 G HA2 0.153 4.105 3.960 -0.013 0.000 0.235 210 G HA3 0.153 4.105 3.960 -0.013 0.000 0.235 210 G C 0.834 175.733 174.900 -0.002 0.000 1.282 210 G CA -0.232 44.869 45.100 0.003 0.000 0.857 210 G HN 0.265 nan 8.290 nan 0.000 0.571 211 E N 0.042 120.240 120.200 -0.004 0.000 2.481 211 E HA 0.021 4.363 4.350 -0.013 0.000 0.198 211 E C 0.387 176.978 176.600 -0.015 0.000 1.027 211 E CA -0.257 56.137 56.400 -0.010 0.000 0.900 211 E CB 0.353 30.046 29.700 -0.012 0.000 0.993 211 E HN 0.771 nan 8.360 nan 0.000 0.482 212 D N 0.526 120.920 120.400 -0.010 0.000 2.398 212 D HA -0.056 4.577 4.640 -0.013 0.000 0.247 212 D C 1.189 177.480 176.300 -0.014 0.000 1.227 212 D CA -0.435 53.556 54.000 -0.014 0.000 0.980 212 D CB 1.597 42.396 40.800 -0.001 0.000 1.106 212 D HN -0.082 nan 8.370 nan 0.000 0.493 213 L N 0.033 121.245 121.223 -0.019 0.000 2.093 213 L HA -0.106 4.226 4.340 -0.013 0.000 0.208 213 L C 2.149 179.027 176.870 0.012 0.000 1.085 213 L CA 1.222 56.054 54.840 -0.013 0.000 0.755 213 L CB -1.082 40.966 42.059 -0.019 0.000 0.904 213 L HN 0.509 nan 8.230 nan 0.000 0.435 214 L N -1.083 120.154 121.223 0.023 0.000 2.046 214 L HA -0.136 4.196 4.340 -0.013 0.000 0.208 214 L C 2.481 179.362 176.870 0.018 0.000 1.077 214 L CA 1.869 56.727 54.840 0.030 0.000 0.747 214 L CB -0.849 41.232 42.059 0.037 0.000 0.896 214 L HN 0.268 nan 8.230 nan 0.000 0.432 215 S N -0.189 115.519 115.700 0.012 0.000 2.370 215 S HA -0.198 4.264 4.470 -0.013 0.000 0.226 215 S C 2.109 176.712 174.600 0.005 0.000 1.033 215 S CA 1.184 59.388 58.200 0.007 0.000 1.011 215 S CB -0.631 62.572 63.200 0.004 0.000 0.852 215 S HN 0.674 nan 8.310 nan 0.000 0.457 216 A N 1.341 124.162 122.820 0.002 0.000 1.908 216 A HA -0.046 4.266 4.320 -0.013 0.000 0.218 216 A C 2.138 179.726 177.584 0.006 0.000 1.181 216 A CA 1.264 53.301 52.037 0.000 0.000 0.627 216 A CB -0.740 18.256 19.000 -0.006 0.000 0.818 216 A HN 0.454 nan 8.150 nan 0.000 0.445 217 L N -0.690 120.541 121.223 0.013 0.000 2.027 217 L HA -0.155 4.177 4.340 -0.013 0.000 0.206 217 L C 2.552 179.430 176.870 0.014 0.000 1.074 217 L CA 1.071 55.922 54.840 0.019 0.000 0.745 217 L CB -0.617 41.461 42.059 0.032 0.000 0.898 217 L HN 0.240 nan 8.230 nan 0.000 0.433 218 V N -0.031 119.890 119.914 0.011 0.000 2.282 218 V HA -0.336 3.776 4.120 -0.013 0.000 0.249 218 V C 2.656 178.752 176.094 0.003 0.000 1.057 218 V CA 1.901 64.204 62.300 0.006 0.000 1.032 218 V CB -0.665 31.160 31.823 0.003 0.000 0.645 218 V HN 0.421 nan 8.190 nan 0.000 0.447 219 R N -0.529 119.973 120.500 0.003 0.000 2.081 219 R HA -0.149 4.184 4.340 -0.013 0.000 0.235 219 R C 2.414 178.715 176.300 0.002 0.000 1.131 219 R CA 1.914 58.014 56.100 0.001 0.000 0.960 219 R CB -0.755 29.545 30.300 0.000 0.000 0.856 219 R HN 0.513 nan 8.270 nan 0.000 0.436 220 T N 0.188 114.744 114.554 0.004 0.000 2.684 220 T HA -0.186 4.156 4.350 -0.013 0.000 0.267 220 T C 1.921 176.623 174.700 0.004 0.000 1.036 220 T CA 1.822 63.925 62.100 0.004 0.000 1.148 220 T CB -0.270 68.603 68.868 0.008 0.000 0.863 220 T HN 0.238 nan 8.240 nan 0.000 0.436 221 S N 0.667 116.370 115.700 0.004 0.000 2.368 221 S HA -0.153 4.309 4.470 -0.013 0.000 0.225 221 S C 1.729 176.328 174.600 -0.002 0.000 1.030 221 S CA 1.355 59.556 58.200 0.002 0.000 0.999 221 S CB -0.525 62.676 63.200 0.001 0.000 0.844 221 S HN 0.381 nan 8.310 nan 0.000 0.459 222 D N 1.039 121.438 120.400 -0.002 0.000 2.178 222 D HA -0.041 4.591 4.640 -0.013 0.000 0.202 222 D C 1.989 178.288 176.300 -0.002 0.000 0.974 222 D CA 0.948 54.946 54.000 -0.003 0.000 0.841 222 D CB -0.329 40.469 40.800 -0.003 0.000 0.953 222 D HN 0.618 nan 8.370 nan 0.000 0.478 223 E N -0.231 119.968 120.200 -0.001 0.000 2.107 223 E HA -0.066 4.276 4.350 -0.013 0.000 0.191 223 E C 0.149 176.749 176.600 -0.001 0.000 0.982 223 E CA 0.699 57.099 56.400 -0.001 0.000 0.809 223 E CB 0.360 30.060 29.700 -0.000 0.000 0.756 223 E HN 0.032 nan 8.360 nan 0.000 0.459 224 D N -1.430 118.970 120.400 -0.000 0.000 2.354 224 D HA 0.096 4.728 4.640 -0.013 0.000 0.230 224 D C 0.275 176.575 176.300 -0.000 0.000 1.361 224 D CA -0.183 53.817 54.000 0.000 0.000 0.992 224 D CB 1.061 41.862 40.800 0.002 0.000 1.409 224 D HN 0.040 nan 8.370 nan 0.000 0.573 225 G N 1.323 110.122 108.800 -0.002 0.000 2.679 225 G HA2 -0.137 3.816 3.960 -0.013 0.000 0.212 225 G HA3 -0.137 3.816 3.960 -0.013 0.000 0.212 225 G C 1.287 176.186 174.900 -0.002 0.000 1.137 225 G CA 0.977 46.075 45.100 -0.005 0.000 0.787 225 G HN 0.466 nan 8.290 nan 0.000 0.534 226 S N -0.115 115.586 115.700 0.001 0.000 2.470 226 S HA 0.106 4.568 4.470 -0.013 0.000 0.225 226 S C 2.110 176.716 174.600 0.009 0.000 1.006 226 S CA 0.074 58.277 58.200 0.006 0.000 0.934 226 S CB -0.053 63.150 63.200 0.006 0.000 0.778 226 S HN 0.400 nan 8.310 nan 0.000 0.517 227 R N -0.264 120.240 120.500 0.008 0.000 2.127 227 R HA 0.354 4.687 4.340 -0.013 0.000 0.217 227 R C -0.510 175.798 176.300 0.012 0.000 1.074 227 R CA 0.501 56.607 56.100 0.010 0.000 0.991 227 R CB -0.072 30.232 30.300 0.007 0.000 0.895 227 R HN 0.361 nan 8.270 nan 0.000 0.450 228 L N 1.221 122.451 121.223 0.010 0.000 2.596 228 L HA 0.171 4.503 4.340 -0.013 0.000 0.265 228 L C -0.364 176.508 176.870 0.003 0.000 0.962 228 L CA -0.363 54.484 54.840 0.013 0.000 0.891 228 L CB 1.702 43.769 42.059 0.014 0.000 1.248 228 L HN 0.059 nan 8.230 nan 0.000 0.410 229 T N 0.039 114.592 114.554 -0.002 0.000 2.828 229 T HA 0.298 4.641 4.350 -0.013 0.000 0.290 229 T C 1.355 176.036 174.700 -0.031 0.000 1.019 229 T CA 0.096 62.182 62.100 -0.023 0.000 1.031 229 T CB 1.021 69.861 68.868 -0.047 0.000 1.001 229 T HN 0.740 nan 8.240 nan 0.000 0.531 230 S N 0.301 115.974 115.700 -0.044 0.000 2.399 230 S HA -0.162 4.300 4.470 -0.013 0.000 0.231 230 S C 1.632 176.196 174.600 -0.061 0.000 1.022 230 S CA 1.100 59.274 58.200 -0.044 0.000 0.983 230 S CB -0.755 62.419 63.200 -0.043 0.000 0.803 230 S HN 0.829 nan 8.310 nan 0.000 0.480 231 E N 1.396 121.529 120.200 -0.113 0.000 2.106 231 E HA -0.128 4.215 4.350 -0.013 0.000 0.192 231 E C 2.200 178.764 176.600 -0.059 0.000 0.984 231 E CA 1.379 57.687 56.400 -0.153 0.000 0.806 231 E CB -0.188 29.258 29.700 -0.424 0.000 0.750 231 E HN 0.724 nan 8.360 nan 0.000 0.458 232 E N 0.594 120.776 120.200 -0.030 0.000 2.150 232 E HA -0.168 4.174 4.350 -0.013 0.000 0.193 232 E C 2.081 178.710 176.600 0.048 0.000 0.985 232 E CA 0.457 56.891 56.400 0.055 0.000 0.814 232 E CB -0.008 29.725 29.700 0.056 0.000 0.752 232 E HN 0.103 nan 8.360 nan 0.000 0.466 233 L N 1.095 122.331 121.223 0.022 0.000 2.056 233 L HA -0.128 4.205 4.340 -0.013 0.000 0.207 233 L C 2.046 178.940 176.870 0.040 0.000 1.078 233 L CA 1.409 56.266 54.840 0.028 0.000 0.749 233 L CB -0.339 41.727 42.059 0.012 0.000 0.901 233 L HN 0.162 nan 8.230 nan 0.000 0.433 234 L N -0.862 120.376 121.223 0.025 0.000 2.017 234 L HA -0.120 4.212 4.340 -0.013 0.000 0.208 234 L C 2.343 179.261 176.870 0.080 0.000 1.073 234 L CA 1.719 56.580 54.840 0.035 0.000 0.745 234 L CB -1.040 41.015 42.059 -0.005 0.000 0.894 234 L HN 0.472 nan 8.230 nan 0.000 0.432 235 G N -0.243 108.605 108.800 0.081 0.000 2.440 235 G HA2 -0.384 3.568 3.960 -0.013 0.000 0.218 235 G HA3 -0.384 3.568 3.960 -0.013 0.000 0.218 235 G C 1.473 176.468 174.900 0.158 0.000 1.154 235 G CA 1.113 46.290 45.100 0.129 0.000 0.767 235 G HN 0.351 nan 8.290 nan 0.000 0.552 236 M N 1.396 121.065 119.600 0.115 0.000 2.086 236 M HA 0.180 4.652 4.480 -0.013 0.000 0.261 236 M C 2.727 179.089 176.300 0.104 0.000 1.067 236 M CA 1.819 57.177 55.300 0.097 0.000 1.116 236 M CB -0.433 32.213 32.600 0.077 0.000 1.348 236 M HN 0.217 nan 8.290 nan 0.000 0.407 237 A N -0.861 122.029 122.820 0.116 0.000 1.908 237 A HA -0.257 4.055 4.320 -0.013 0.000 0.218 237 A C 2.328 180.010 177.584 0.163 0.000 1.181 237 A CA 2.118 54.232 52.037 0.128 0.000 0.627 237 A CB -1.459 17.617 19.000 0.127 0.000 0.818 237 A HN 0.806 nan 8.150 nan 0.000 0.445 238 H N -0.911 118.217 119.070 0.096 0.000 2.326 238 H HA -0.094 4.456 4.556 -0.009 0.000 0.301 238 H C 2.066 177.440 175.328 0.077 0.000 1.081 238 H CA 1.854 57.971 56.048 0.115 0.000 1.334 238 H CB -0.192 29.610 29.762 0.067 0.000 1.385 238 H HN 0.356 nan 8.280 nan 0.000 0.504 239 I N 1.141 121.673 120.570 -0.062 0.000 2.226 239 I HA -0.250 3.912 4.170 -0.013 0.000 0.245 239 I C 2.515 178.543 176.117 -0.148 0.000 1.100 239 I CA 0.972 62.188 61.300 -0.141 0.000 1.374 239 I CB -0.336 37.672 38.000 0.013 0.000 1.057 239 I HN 0.244 nan 8.210 nan 0.000 0.413 240 L N -0.860 120.318 121.223 -0.075 0.000 2.141 240 L HA -0.168 4.164 4.340 -0.013 0.000 0.209 240 L C 2.352 179.151 176.870 -0.119 0.000 1.094 240 L CA 0.932 55.723 54.840 -0.082 0.000 0.763 240 L CB -0.508 41.565 42.059 0.024 0.000 0.908 240 L HN 0.270 nan 8.230 nan 0.000 0.437 241 L N -1.286 119.863 121.223 -0.123 0.000 2.068 241 L HA -0.110 4.223 4.340 -0.013 0.000 0.204 241 L C 2.439 178.981 176.870 -0.545 0.000 1.076 241 L CA 0.567 55.276 54.840 -0.218 0.000 0.753 241 L CB -0.255 41.794 42.059 -0.017 0.000 0.910 241 L HN -0.002 nan 8.230 nan 0.000 0.439 242 V N 0.006 119.713 119.914 -0.346 0.000 2.427 242 V HA -0.243 3.870 4.120 -0.013 0.000 0.248 242 V C 2.735 178.686 176.094 -0.239 0.000 1.051 242 V CA 1.422 63.551 62.300 -0.284 0.000 1.048 242 V CB -0.855 30.874 31.823 -0.156 0.000 0.666 242 V HN 0.461 nan 8.190 nan 0.000 0.456 243 A N 1.012 123.706 122.820 -0.210 0.000 1.894 243 A HA -0.301 4.012 4.320 -0.013 0.000 0.220 243 A C 2.405 179.954 177.584 -0.059 0.000 1.237 243 A CA 2.648 54.617 52.037 -0.112 0.000 0.660 243 A CB -1.473 17.454 19.000 -0.121 0.000 0.835 243 A HN 0.561 nan 8.150 nan 0.000 0.461 244 G N -2.383 106.354 108.800 -0.106 0.000 2.448 244 G HA2 -0.115 3.837 3.960 -0.013 0.000 0.218 244 G HA3 -0.115 3.837 3.960 -0.013 0.000 0.218 244 G C 1.293 176.258 174.900 0.109 0.000 1.135 244 G CA 1.040 46.138 45.100 -0.005 0.000 0.784 244 G HN 0.678 nan 8.290 nan 0.000 0.543 245 H N 0.929 120.018 119.070 0.030 0.000 2.387 245 H HA -0.014 4.534 4.556 -0.013 0.000 0.299 245 H C 2.152 177.639 175.328 0.265 0.000 1.099 245 H CA 1.337 57.469 56.048 0.140 0.000 1.315 245 H CB 0.016 29.979 29.762 0.335 0.000 1.380 245 H HN 0.501 nan 8.280 nan 0.000 0.513 246 E N -0.512 119.879 120.200 0.318 0.000 2.452 246 E HA 0.018 4.361 4.350 -0.013 0.000 0.197 246 E C 1.392 178.120 176.600 0.214 0.000 1.022 246 E CA 0.911 57.466 56.400 0.258 0.000 0.890 246 E CB 0.539 30.360 29.700 0.202 0.000 0.918 246 E HN 0.596 nan 8.360 nan 0.000 0.496 247 T N -2.393 112.264 114.554 0.173 0.000 3.238 247 T HA 0.002 4.344 4.350 -0.013 0.000 0.242 247 T C 2.149 176.932 174.700 0.138 0.000 0.980 247 T CA 0.536 62.721 62.100 0.142 0.000 1.235 247 T CB -0.459 68.474 68.868 0.109 0.000 1.069 247 T HN -0.174 nan 8.240 nan 0.000 0.407 248 T N 2.602 117.228 114.554 0.120 0.000 2.788 248 T HA -0.047 4.295 4.350 -0.013 0.000 0.268 248 T C 2.095 176.860 174.700 0.109 0.000 1.044 248 T CA 1.307 63.471 62.100 0.107 0.000 1.139 248 T CB -0.707 68.207 68.868 0.077 0.000 0.867 248 T HN 0.187 nan 8.240 nan 0.000 0.454 249 V N 2.734 122.726 119.914 0.130 0.000 2.282 249 V HA -0.220 3.892 4.120 -0.013 0.000 0.249 249 V C 2.387 178.590 176.094 0.182 0.000 1.057 249 V CA 1.682 64.086 62.300 0.172 0.000 1.032 249 V CB -0.529 31.471 31.823 0.294 0.000 0.645 249 V HN 0.521 nan 8.190 nan 0.000 0.447 250 N N -0.295 118.527 118.700 0.203 0.000 2.354 250 N HA -0.059 4.673 4.740 -0.013 0.000 0.179 250 N C 1.683 177.278 175.510 0.141 0.000 1.021 250 N CA 0.869 54.031 53.050 0.186 0.000 0.887 250 N CB -0.199 38.438 38.487 0.250 0.000 0.974 250 N HN 0.381 nan 8.380 nan 0.000 0.437 251 L N 1.541 122.838 121.223 0.124 0.000 2.046 251 L HA -0.007 4.326 4.340 -0.013 0.000 0.208 251 L C 1.952 178.882 176.870 0.100 0.000 1.077 251 L CA 1.293 56.193 54.840 0.099 0.000 0.747 251 L CB -0.497 41.611 42.059 0.081 0.000 0.896 251 L HN 0.029 nan 8.230 nan 0.000 0.432 252 I N -0.611 120.017 120.570 0.097 0.000 2.252 252 I HA -0.263 3.899 4.170 -0.013 0.000 0.245 252 I C 2.522 178.689 176.117 0.084 0.000 1.102 252 I CA 1.182 62.533 61.300 0.085 0.000 1.385 252 I CB -0.569 37.476 38.000 0.074 0.000 1.064 252 I HN 0.363 nan 8.210 nan 0.000 0.414 253 A N 0.836 123.706 122.820 0.084 0.000 1.872 253 A HA -0.151 4.161 4.320 -0.013 0.000 0.214 253 A C 2.027 179.655 177.584 0.074 0.000 1.187 253 A CA 1.568 53.639 52.037 0.057 0.000 0.614 253 A CB -0.612 18.399 19.000 0.018 0.000 0.826 253 A HN 0.355 nan 8.150 nan 0.000 0.442 254 N N 0.510 119.268 118.700 0.096 0.000 2.149 254 N HA -0.101 4.632 4.740 -0.013 0.000 0.188 254 N C 1.748 177.380 175.510 0.202 0.000 1.019 254 N CA 1.581 54.744 53.050 0.188 0.000 0.857 254 N CB -0.750 37.874 38.487 0.228 0.000 0.997 254 N HN 0.470 nan 8.380 nan 0.000 0.426 255 G N 0.655 109.536 108.800 0.135 0.000 2.394 255 G HA2 -0.147 3.805 3.960 -0.013 0.000 0.214 255 G HA3 -0.147 3.805 3.960 -0.013 0.000 0.214 255 G C 1.438 176.375 174.900 0.062 0.000 1.176 255 G CA 0.439 45.599 45.100 0.101 0.000 0.786 255 G HN 0.096 nan 8.290 nan 0.000 0.533 256 M N -0.228 119.422 119.600 0.083 0.000 2.149 256 M HA -0.023 4.450 4.480 -0.013 0.000 0.261 256 M C 2.298 178.639 176.300 0.069 0.000 1.064 256 M CA 0.751 56.092 55.300 0.069 0.000 1.102 256 M CB -1.141 31.504 32.600 0.074 0.000 1.369 256 M HN 0.421 nan 8.290 nan 0.000 0.408 257 Y N 1.242 121.539 120.300 -0.005 0.000 2.145 257 Y HA -0.116 4.426 4.550 -0.013 0.000 0.286 257 Y C 2.374 178.269 175.900 -0.009 0.000 1.145 257 Y CA 1.816 59.918 58.100 0.004 0.000 1.148 257 Y CB -0.583 37.887 38.460 0.017 0.000 0.981 257 Y HN 0.179 nan 8.280 nan 0.000 0.507 258 A N 0.316 122.980 122.820 -0.260 0.000 1.883 258 A HA -0.224 4.089 4.320 -0.013 0.000 0.217 258 A C 2.243 179.453 177.584 -0.623 0.000 1.186 258 A CA 1.988 53.678 52.037 -0.577 0.000 0.624 258 A CB -1.309 17.173 19.000 -0.864 0.000 0.822 258 A HN 0.551 nan 8.150 nan 0.000 0.444 259 L N -0.407 120.600 121.223 -0.360 0.000 2.056 259 L HA -0.045 4.287 4.340 -0.013 0.000 0.207 259 L C 2.256 179.103 176.870 -0.038 0.000 1.078 259 L CA 1.588 56.378 54.840 -0.083 0.000 0.749 259 L CB -0.325 41.772 42.059 0.063 0.000 0.901 259 L HN 0.412 nan 8.230 nan 0.000 0.433 260 L N -1.051 120.127 121.223 -0.077 0.000 2.291 260 L HA -0.052 4.280 4.340 -0.013 0.000 0.214 260 L C 2.177 178.971 176.870 -0.128 0.000 1.120 260 L CA 1.026 55.833 54.840 -0.055 0.000 0.799 260 L CB -0.637 41.420 42.059 -0.003 0.000 0.925 260 L HN 0.441 nan 8.230 nan 0.000 0.446 261 S N -2.361 113.173 115.700 -0.277 0.000 2.575 261 S HA 0.002 4.465 4.470 -0.013 0.000 0.215 261 S C 0.290 174.595 174.600 -0.491 0.000 0.966 261 S CA -0.218 57.752 58.200 -0.384 0.000 0.911 261 S CB -0.322 62.475 63.200 -0.672 0.000 0.780 261 S HN 0.437 nan 8.310 nan 0.000 0.514 262 H N 1.441 120.410 119.070 -0.169 0.000 2.448 262 H HA 0.358 4.906 4.556 -0.013 0.000 0.237 262 H C -2.182 173.137 175.328 -0.014 0.000 1.391 262 H CA -1.539 54.467 56.048 -0.069 0.000 1.477 262 H CB 1.213 30.972 29.762 -0.005 0.000 1.520 262 H HN 0.136 nan 8.280 nan 0.000 0.502 263 P HA -0.197 nan 4.420 nan 0.000 0.218 263 P C 1.116 178.443 177.300 0.045 0.000 1.148 263 P CA 1.231 64.347 63.100 0.026 0.000 0.822 263 P CB 0.539 32.237 31.700 -0.003 0.000 0.784 264 D N -0.200 120.232 120.400 0.053 0.000 2.149 264 D HA -0.209 4.423 4.640 -0.013 0.000 0.198 264 D C 1.692 178.022 176.300 0.049 0.000 0.990 264 D CA 1.220 55.247 54.000 0.044 0.000 0.839 264 D CB -0.610 40.214 40.800 0.040 0.000 0.948 264 D HN 0.137 nan 8.370 nan 0.000 0.460 265 Q N 0.063 119.918 119.800 0.092 0.000 2.123 265 Q HA 0.043 4.376 4.340 -0.013 0.000 0.196 265 Q C 2.504 178.556 176.000 0.087 0.000 0.958 265 Q CA 0.244 56.097 55.803 0.083 0.000 0.841 265 Q CB -0.598 28.251 28.738 0.184 0.000 0.915 265 Q HN 0.356 nan 8.270 nan 0.000 0.455 266 L N 0.915 122.200 121.223 0.104 0.000 2.079 266 L HA -0.103 4.229 4.340 -0.013 0.000 0.210 266 L C 2.059 178.956 176.870 0.046 0.000 1.081 266 L CA 2.195 57.079 54.840 0.074 0.000 0.752 266 L CB -0.761 41.335 42.059 0.061 0.000 0.896 266 L HN 0.108 nan 8.230 nan 0.000 0.433 267 A N -0.272 122.571 122.820 0.038 0.000 1.877 267 A HA -0.061 4.252 4.320 -0.013 0.000 0.216 267 A C 2.481 180.075 177.584 0.018 0.000 1.186 267 A CA 1.856 53.909 52.037 0.025 0.000 0.620 267 A CB -1.243 17.770 19.000 0.021 0.000 0.822 267 A HN 0.616 nan 8.150 nan 0.000 0.443 268 A N -0.633 122.195 122.820 0.014 0.000 1.902 268 A HA -0.004 4.308 4.320 -0.013 0.000 0.217 268 A C 2.139 179.723 177.584 0.001 0.000 1.181 268 A CA 1.741 53.779 52.037 0.001 0.000 0.623 268 A CB -0.606 18.386 19.000 -0.013 0.000 0.818 268 A HN 0.653 nan 8.150 nan 0.000 0.443 269 L N -0.062 121.166 121.223 0.008 0.000 2.027 269 L HA -0.098 4.234 4.340 -0.013 0.000 0.206 269 L C 2.424 179.303 176.870 0.014 0.000 1.074 269 L CA 1.861 56.708 54.840 0.011 0.000 0.745 269 L CB -0.704 41.369 42.059 0.024 0.000 0.898 269 L HN 0.336 nan 8.230 nan 0.000 0.433 270 R N -0.456 120.055 120.500 0.019 0.000 2.103 270 R HA -0.168 4.164 4.340 -0.013 0.000 0.242 270 R C 2.112 178.420 176.300 0.012 0.000 1.142 270 R CA 1.476 57.586 56.100 0.017 0.000 0.960 270 R CB -0.713 29.599 30.300 0.021 0.000 0.858 270 R HN 0.539 nan 8.270 nan 0.000 0.439 271 A N 0.303 123.129 122.820 0.010 0.000 2.066 271 A HA -0.097 4.215 4.320 -0.013 0.000 0.218 271 A C 0.435 178.021 177.584 0.004 0.000 1.157 271 A CA 0.918 52.959 52.037 0.006 0.000 0.670 271 A CB 0.222 19.224 19.000 0.005 0.000 0.804 271 A HN 0.198 nan 8.150 nan 0.000 0.453 272 D N -1.238 119.164 120.400 0.003 0.000 2.337 272 D HA 0.261 4.894 4.640 -0.013 0.000 0.238 272 D C 0.558 176.858 176.300 0.001 0.000 1.331 272 D CA -0.392 53.608 54.000 0.000 0.000 0.967 272 D CB 0.255 41.053 40.800 -0.004 0.000 1.382 272 D HN -0.035 nan 8.370 nan 0.000 0.549 273 M N 0.947 120.549 119.600 0.004 0.000 2.557 273 M HA -0.047 4.425 4.480 -0.013 0.000 0.259 273 M C 1.985 178.288 176.300 0.006 0.000 1.086 273 M CA 0.806 56.109 55.300 0.006 0.000 1.096 273 M CB -1.142 31.462 32.600 0.008 0.000 1.424 273 M HN 0.501 nan 8.290 nan 0.000 0.488 274 T N -1.702 112.854 114.554 0.004 0.000 2.977 274 T HA -0.073 4.270 4.350 -0.013 0.000 0.271 274 T C 1.682 176.383 174.700 0.002 0.000 1.105 274 T CA 0.724 62.826 62.100 0.004 0.000 1.116 274 T CB -0.579 68.291 68.868 0.002 0.000 0.878 274 T HN 0.424 nan 8.240 nan 0.000 0.509 275 L N -0.006 121.215 121.223 -0.003 0.000 2.549 275 L HA 0.166 4.499 4.340 -0.013 0.000 0.229 275 L C 2.414 179.280 176.870 -0.006 0.000 1.158 275 L CA 0.369 55.202 54.840 -0.011 0.000 0.842 275 L CB -0.631 41.415 42.059 -0.022 0.000 0.952 275 L HN 0.309 nan 8.230 nan 0.000 0.452 276 L N -0.253 120.974 121.223 0.007 0.000 2.027 276 L HA -0.192 4.140 4.340 -0.013 0.000 0.206 276 L C 2.073 178.958 176.870 0.026 0.000 1.074 276 L CA 1.591 56.441 54.840 0.018 0.000 0.745 276 L CB -0.185 41.887 42.059 0.023 0.000 0.898 276 L HN 0.183 nan 8.230 nan 0.000 0.433 277 D N 0.034 120.451 120.400 0.029 0.000 2.104 277 D HA -0.181 4.451 4.640 -0.013 0.000 0.194 277 D C 2.078 178.402 176.300 0.041 0.000 0.994 277 D CA 1.527 55.554 54.000 0.045 0.000 0.830 277 D CB -0.645 40.183 40.800 0.047 0.000 0.959 277 D HN 0.524 nan 8.370 nan 0.000 0.452 278 G N 0.429 109.239 108.800 0.017 0.000 2.432 278 G HA2 -0.161 3.791 3.960 -0.013 0.000 0.219 278 G HA3 -0.161 3.791 3.960 -0.013 0.000 0.219 278 G C 1.660 176.537 174.900 -0.038 0.000 1.135 278 G CA 1.160 46.258 45.100 -0.004 0.000 0.767 278 G HN 0.413 nan 8.290 nan 0.000 0.550 279 A N 0.183 122.984 122.820 -0.032 0.000 1.897 279 A HA 0.141 4.454 4.320 -0.013 0.000 0.215 279 A C 2.583 180.178 177.584 0.017 0.000 1.181 279 A CA 1.586 53.593 52.037 -0.049 0.000 0.620 279 A CB -0.585 18.416 19.000 0.000 0.000 0.821 279 A HN 0.228 nan 8.150 nan 0.000 0.443 280 V N 0.691 120.634 119.914 0.049 0.000 2.324 280 V HA -0.265 3.848 4.120 -0.013 0.000 0.250 280 V C 2.552 178.675 176.094 0.048 0.000 1.060 280 V CA 2.237 64.580 62.300 0.072 0.000 1.042 280 V CB -0.787 31.090 31.823 0.089 0.000 0.650 280 V HN 0.529 nan 8.190 nan 0.000 0.450 281 E N 0.046 120.273 120.200 0.045 0.000 2.077 281 E HA -0.256 4.086 4.350 -0.013 0.000 0.193 281 E C 2.212 178.743 176.600 -0.116 0.000 0.989 281 E CA 1.588 58.002 56.400 0.023 0.000 0.800 281 E CB -0.219 29.553 29.700 0.120 0.000 0.746 281 E HN 0.752 nan 8.360 nan 0.000 0.452 282 E N 0.536 120.674 120.200 -0.103 0.000 2.208 282 E HA -0.073 4.269 4.350 -0.013 0.000 0.193 282 E C 2.011 178.626 176.600 0.025 0.000 0.988 282 E CA 0.699 56.999 56.400 -0.166 0.000 0.828 282 E CB -0.114 29.353 29.700 -0.388 0.000 0.763 282 E HN 0.180 nan 8.360 nan 0.000 0.478 283 M N -0.191 119.500 119.600 0.151 0.000 2.117 283 M HA -0.131 4.341 4.480 -0.013 0.000 0.262 283 M C 2.127 178.452 176.300 0.042 0.000 1.065 283 M CA 1.317 56.758 55.300 0.235 0.000 1.114 283 M CB -0.316 32.393 32.600 0.183 0.000 1.361 283 M HN 0.161 nan 8.290 nan 0.000 0.408 284 L N -0.441 120.704 121.223 -0.130 0.000 2.012 284 L HA -0.242 4.091 4.340 -0.013 0.000 0.210 284 L C 2.882 179.452 176.870 -0.499 0.000 1.073 284 L CA 1.329 55.959 54.840 -0.349 0.000 0.748 284 L CB -0.729 40.981 42.059 -0.581 0.000 0.891 284 L HN 0.341 nan 8.230 nan 0.000 0.431 285 R N -0.525 119.609 120.500 -0.609 0.000 2.066 285 R HA -0.225 4.107 4.340 -0.013 0.000 0.232 285 R C 2.375 178.460 176.300 -0.360 0.000 1.131 285 R CA 1.907 57.534 56.100 -0.788 0.000 0.955 285 R CB -0.576 29.284 30.300 -0.733 0.000 0.851 285 R HN 0.319 nan 8.270 nan 0.000 0.432 286 Y N 0.519 120.685 120.300 -0.224 0.000 2.243 286 Y HA 0.030 4.573 4.550 -0.013 0.000 0.293 286 Y C 0.913 176.810 175.900 -0.004 0.000 1.124 286 Y CA 1.219 59.276 58.100 -0.071 0.000 1.159 286 Y CB 0.515 39.041 38.460 0.110 0.000 1.008 286 Y HN 0.022 nan 8.280 nan 0.000 0.527 287 E N 0.301 120.538 120.200 0.062 0.000 3.191 287 E HA 0.238 4.581 4.350 -0.013 0.000 0.192 287 E C 0.024 176.680 176.600 0.093 0.000 0.972 287 E CA 0.072 56.501 56.400 0.048 0.000 1.266 287 E CB 0.223 30.028 29.700 0.174 0.000 1.076 287 E HN 0.382 nan 8.360 nan 0.000 0.462 288 G N 2.328 111.154 108.800 0.043 0.000 2.554 288 G HA2 0.090 4.043 3.960 -0.013 0.000 0.238 288 G HA3 0.090 4.043 3.960 -0.013 0.000 0.238 288 G C -1.190 173.757 174.900 0.079 0.000 1.259 288 G CA -0.678 44.430 45.100 0.014 0.000 0.843 288 G HN -0.030 nan 8.290 nan 0.000 0.582 289 P HA -0.050 nan 4.420 nan 0.000 0.221 289 P C 0.517 177.888 177.300 0.119 0.000 1.150 289 P CA 0.483 63.662 63.100 0.133 0.000 0.800 289 P CB 0.209 31.990 31.700 0.136 0.000 0.787 290 V N 2.237 122.194 119.914 0.071 0.000 2.339 290 V HA 0.110 4.222 4.120 -0.013 0.000 0.261 290 V C 1.879 178.002 176.094 0.048 0.000 1.058 290 V CA 0.019 62.357 62.300 0.063 0.000 0.897 290 V CB 0.415 32.261 31.823 0.038 0.000 1.052 290 V HN 0.085 nan 8.190 nan 0.000 0.480 291 E N 3.212 123.444 120.200 0.053 0.000 2.112 291 E HA -0.016 4.326 4.350 -0.013 0.000 0.190 291 E C 0.555 177.125 176.600 -0.051 0.000 0.979 291 E CA 0.613 57.019 56.400 0.009 0.000 0.814 291 E CB 0.398 30.111 29.700 0.021 0.000 0.762 291 E HN 0.635 nan 8.360 nan 0.000 0.460 292 S N -0.411 115.281 115.700 -0.013 0.000 2.538 292 S HA 0.626 5.089 4.470 -0.013 0.000 0.288 292 S C -0.760 173.840 174.600 0.000 0.000 1.108 292 S CA -0.598 57.583 58.200 -0.032 0.000 0.971 292 S CB 1.816 65.021 63.200 0.008 0.000 1.041 292 S HN 0.413 nan 8.310 nan 0.000 0.483 293 A N 2.076 124.879 122.820 -0.028 0.000 2.296 293 A HA 0.650 4.962 4.320 -0.013 0.000 0.264 293 A C 0.847 178.435 177.584 0.006 0.000 1.097 293 A CA -0.314 51.710 52.037 -0.022 0.000 0.811 293 A CB -0.294 18.672 19.000 -0.057 0.000 1.072 293 A HN 0.843 nan 8.150 nan 0.000 0.495 294 T N -1.799 112.746 114.554 -0.014 0.000 2.788 294 T HA 0.391 4.733 4.350 -0.013 0.000 0.287 294 T C -0.161 174.541 174.700 0.004 0.000 1.007 294 T CA -0.223 61.880 62.100 0.005 0.000 1.005 294 T CB -0.004 68.833 68.868 -0.051 0.000 1.012 294 T HN 0.303 nan 8.240 nan 0.000 0.530 295 Y N 1.305 121.456 120.300 -0.247 0.000 2.620 295 Y HA 0.285 4.827 4.550 -0.013 0.000 0.330 295 Y C 1.302 176.678 175.900 -0.872 0.000 1.186 295 Y CA -0.519 57.281 58.100 -0.501 0.000 1.467 295 Y CB -0.124 38.015 38.460 -0.534 0.000 1.262 295 Y HN 0.546 nan 8.280 nan 0.000 0.550 296 R N 3.003 123.097 120.500 -0.677 0.000 2.778 296 R HA 0.646 4.979 4.340 -0.013 0.000 0.277 296 R C -1.588 174.272 176.300 -0.734 0.000 0.977 296 R CA -0.774 54.902 56.100 -0.707 0.000 0.950 296 R CB 1.527 31.671 30.300 -0.261 0.000 1.165 296 R HN 0.452 nan 8.270 nan 0.000 0.474 297 F N 1.712 121.638 119.950 -0.041 0.000 2.539 297 F HA 0.356 4.876 4.527 -0.012 0.000 0.328 297 F C -2.110 173.624 175.800 -0.111 0.000 1.148 297 F CA -2.712 55.233 58.000 -0.092 0.000 0.940 297 F CB 1.976 40.873 39.000 -0.170 0.000 1.194 297 F HN 0.212 nan 8.300 nan 0.000 0.438 298 P HA 0.006 nan 4.420 nan 0.000 0.263 298 P C 0.844 178.046 177.300 -0.163 0.000 1.195 298 P CA 0.158 63.065 63.100 -0.321 0.000 0.762 298 P CB 0.943 32.398 31.700 -0.408 0.000 0.799 299 V N 2.952 122.766 119.914 -0.167 0.000 2.295 299 V HA -0.176 3.936 4.120 -0.013 0.000 0.246 299 V C 1.091 177.121 176.094 -0.107 0.000 1.049 299 V CA 1.841 64.084 62.300 -0.095 0.000 1.024 299 V CB -0.643 31.135 31.823 -0.075 0.000 0.648 299 V HN 0.579 nan 8.190 nan 0.000 0.447 300 E N -1.054 119.056 120.200 -0.150 0.000 2.355 300 E HA 0.385 4.728 4.350 -0.013 0.000 0.261 300 E C -2.685 173.806 176.600 -0.181 0.000 0.943 300 E CA -2.439 53.880 56.400 -0.134 0.000 0.806 300 E CB 1.456 31.087 29.700 -0.114 0.000 1.286 300 E HN 0.115 nan 8.360 nan 0.000 0.424 301 P HA -0.011 nan 4.420 nan 0.000 0.266 301 P C -1.113 176.057 177.300 -0.217 0.000 1.195 301 P CA 0.185 63.180 63.100 -0.175 0.000 0.768 301 P CB 0.440 32.067 31.700 -0.121 0.000 0.838 302 V N 2.998 122.748 119.914 -0.274 0.000 2.540 302 V HA 0.268 4.380 4.120 -0.013 0.000 0.302 302 V C -0.235 175.740 176.094 -0.199 0.000 1.035 302 V CA -0.432 61.707 62.300 -0.267 0.000 0.873 302 V CB 1.934 33.501 31.823 -0.427 0.000 0.992 302 V HN 0.439 nan 8.190 nan 0.000 0.428 303 D N 4.756 125.077 120.400 -0.132 0.000 2.396 303 D HA 0.372 5.005 4.640 -0.013 0.000 0.225 303 D C -0.679 175.580 176.300 -0.068 0.000 1.121 303 D CA -0.072 53.868 54.000 -0.100 0.000 0.853 303 D CB 0.872 41.629 40.800 -0.072 0.000 1.043 303 D HN 0.393 nan 8.370 nan 0.000 0.500 304 L N 3.064 124.242 121.223 -0.075 0.000 2.277 304 L HA 0.310 4.643 4.340 -0.013 0.000 0.284 304 L C 0.771 177.618 176.870 -0.037 0.000 1.028 304 L CA -0.324 54.493 54.840 -0.039 0.000 0.835 304 L CB 1.032 43.069 42.059 -0.036 0.000 1.215 304 L HN 0.684 nan 8.230 nan 0.000 0.425 305 D N 2.434 122.822 120.400 -0.020 0.000 2.704 305 D HA -0.076 4.556 4.640 -0.013 0.000 0.232 305 D C 1.302 177.593 176.300 -0.015 0.000 1.183 305 D CA 1.276 55.269 54.000 -0.011 0.000 0.647 305 D CB -1.550 39.248 40.800 -0.002 0.000 1.013 305 D HN 1.213 nan 8.370 nan 0.000 0.415 306 G N -1.508 107.279 108.800 -0.021 0.000 2.212 306 G HA2 -0.030 3.922 3.960 -0.013 0.000 0.266 306 G HA3 -0.030 3.922 3.960 -0.013 0.000 0.266 306 G C 0.708 175.594 174.900 -0.024 0.000 0.978 306 G CA 1.007 46.096 45.100 -0.018 0.000 0.632 306 G HN 1.702 nan 8.290 nan 0.000 0.537 307 T N 1.286 115.815 114.554 -0.042 0.000 2.744 307 T HA 0.534 4.877 4.350 -0.013 0.000 0.291 307 T C 0.278 174.900 174.700 -0.130 0.000 0.957 307 T CA -0.293 61.776 62.100 -0.051 0.000 1.002 307 T CB 2.290 71.131 68.868 -0.045 0.000 0.919 307 T HN 0.426 nan 8.240 nan 0.000 0.468 308 V N 5.646 125.488 119.914 -0.119 0.000 2.406 308 V HA 0.374 4.487 4.120 -0.013 0.000 0.272 308 V C 0.158 176.042 176.094 -0.351 0.000 1.043 308 V CA -0.635 61.562 62.300 -0.172 0.000 0.915 308 V CB 0.557 32.330 31.823 -0.084 0.000 0.988 308 V HN 0.779 nan 8.190 nan 0.000 0.466 309 I N 7.749 128.015 120.570 -0.507 0.000 2.330 309 I HA 0.360 4.522 4.170 -0.013 0.000 0.289 309 I C -2.298 173.570 176.117 -0.415 0.000 1.001 309 I CA -1.989 58.812 61.300 -0.832 0.000 1.193 309 I CB 1.766 39.176 38.000 -0.984 0.000 1.345 309 I HN 0.420 nan 8.210 nan 0.000 0.461 310 P HA 0.043 nan 4.420 nan 0.000 0.269 310 P C -0.356 176.885 177.300 -0.097 0.000 1.209 310 P CA -0.310 62.741 63.100 -0.081 0.000 0.776 310 P CB 0.567 32.297 31.700 0.049 0.000 0.876 311 A N 2.762 125.529 122.820 -0.088 0.000 2.566 311 A HA 0.363 4.675 4.320 -0.013 0.000 0.245 311 A C 1.592 179.156 177.584 -0.035 0.000 1.056 311 A CA 0.958 52.947 52.037 -0.079 0.000 0.757 311 A CB -1.576 17.383 19.000 -0.069 0.000 0.979 311 A HN 0.891 nan 8.150 nan 0.000 0.508 312 G N 2.306 111.094 108.800 -0.020 0.000 2.217 312 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.246 312 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.246 312 G C 0.064 174.992 174.900 0.046 0.000 0.990 312 G CA 0.420 45.510 45.100 -0.017 0.000 0.627 312 G HN 0.840 nan 8.290 nan 0.000 0.522 313 D N 0.865 121.327 120.400 0.103 0.000 2.360 313 D HA 0.509 5.141 4.640 -0.013 0.000 0.242 313 D C 0.729 177.181 176.300 0.254 0.000 1.184 313 D CA 0.636 54.755 54.000 0.199 0.000 0.930 313 D CB 0.572 41.584 40.800 0.352 0.000 1.161 313 D HN 0.063 nan 8.370 nan 0.000 0.447 314 T N 0.601 115.280 114.554 0.210 0.000 2.806 314 T HA 0.420 4.762 4.350 -0.013 0.000 0.290 314 T C -0.313 174.403 174.700 0.026 0.000 0.966 314 T CA -0.514 61.606 62.100 0.032 0.000 1.060 314 T CB 0.730 69.433 68.868 -0.276 0.000 0.927 314 T HN -0.038 nan 8.240 nan 0.000 0.485 315 V N 5.511 125.370 119.914 -0.091 0.000 2.444 315 V HA 0.439 4.551 4.120 -0.013 0.000 0.294 315 V C -0.295 175.723 176.094 -0.126 0.000 1.022 315 V CA -0.845 61.443 62.300 -0.020 0.000 0.850 315 V CB 1.532 33.374 31.823 0.033 0.000 0.992 315 V HN 0.718 nan 8.190 nan 0.000 0.426 316 L N 5.299 126.484 121.223 -0.064 0.000 2.280 316 L HA 0.536 4.868 4.340 -0.013 0.000 0.287 316 L C -0.386 176.432 176.870 -0.087 0.000 1.023 316 L CA -0.766 54.036 54.840 -0.063 0.000 0.819 316 L CB 1.847 43.897 42.059 -0.015 0.000 1.212 316 L HN 0.351 nan 8.230 nan 0.000 0.420 317 V N 4.591 124.429 119.914 -0.126 0.000 2.455 317 V HA 0.086 4.198 4.120 -0.013 0.000 0.273 317 V C 0.461 176.461 176.094 -0.157 0.000 1.045 317 V CA -0.416 61.791 62.300 -0.155 0.000 0.976 317 V CB 1.634 33.347 31.823 -0.183 0.000 0.993 317 V HN 0.435 nan 8.190 nan 0.000 0.475 318 V N 7.485 127.277 119.914 -0.203 0.000 2.267 318 V HA 0.149 4.261 4.120 -0.013 0.000 0.254 318 V C 1.293 177.221 176.094 -0.276 0.000 1.144 318 V CA -0.054 62.066 62.300 -0.300 0.000 0.992 318 V CB 0.169 31.659 31.823 -0.555 0.000 1.199 318 V HN 0.772 nan 8.190 nan 0.000 0.493 319 L N 2.879 123.959 121.223 -0.237 0.000 2.079 319 L HA -0.183 4.149 4.340 -0.013 0.000 0.210 319 L C 2.693 179.325 176.870 -0.398 0.000 1.081 319 L CA 1.810 56.456 54.840 -0.323 0.000 0.752 319 L CB -0.642 41.276 42.059 -0.235 0.000 0.896 319 L HN 0.663 nan 8.230 nan 0.000 0.433 320 A N 0.242 122.944 122.820 -0.197 0.000 1.908 320 A HA -0.309 4.003 4.320 -0.013 0.000 0.218 320 A C 1.991 179.624 177.584 0.082 0.000 1.181 320 A CA 2.331 54.366 52.037 -0.003 0.000 0.627 320 A CB -0.683 18.289 19.000 -0.047 0.000 0.818 320 A HN 0.477 nan 8.150 nan 0.000 0.445 321 D N -0.770 119.593 120.400 -0.060 0.000 2.149 321 D HA 0.066 4.698 4.640 -0.013 0.000 0.201 321 D C 2.049 178.413 176.300 0.106 0.000 0.972 321 D CA 1.258 55.298 54.000 0.066 0.000 0.835 321 D CB -0.171 40.608 40.800 -0.035 0.000 0.966 321 D HN 0.340 nan 8.370 nan 0.000 0.476 322 A N -0.271 122.560 122.820 0.018 0.000 1.917 322 A HA -0.248 4.065 4.320 -0.013 0.000 0.219 322 A C 1.860 179.687 177.584 0.404 0.000 1.182 322 A CA 1.810 53.948 52.037 0.169 0.000 0.633 322 A CB -1.174 17.813 19.000 -0.022 0.000 0.819 322 A HN 0.528 nan 8.150 nan 0.000 0.448 323 H N -1.797 117.422 119.070 0.249 0.000 2.546 323 H HA 0.077 4.625 4.556 -0.013 0.000 0.277 323 H C 1.119 176.467 175.328 0.032 0.000 1.004 323 H CA 0.240 56.307 56.048 0.032 0.000 1.231 323 H CB 0.315 30.004 29.762 -0.121 0.000 1.382 323 H HN 0.203 nan 8.280 nan 0.000 0.580 324 R N 0.364 121.012 120.500 0.246 0.000 2.509 324 R HA 0.127 4.459 4.340 -0.013 0.000 0.300 324 R C -0.076 176.307 176.300 0.139 0.000 0.985 324 R CA -0.012 56.159 56.100 0.120 0.000 1.092 324 R CB -0.022 30.356 30.300 0.130 0.000 1.237 324 R HN 0.026 nan 8.270 nan 0.000 0.546 325 T N 4.142 118.847 114.554 0.251 0.000 2.738 325 T HA 0.100 4.442 4.350 -0.013 0.000 0.293 325 T C -1.554 173.218 174.700 0.119 0.000 0.913 325 T CA -1.086 61.126 62.100 0.186 0.000 1.103 325 T CB 1.458 70.464 68.868 0.230 0.000 0.880 325 T HN 0.039 nan 8.240 nan 0.000 0.526 326 P HA -0.032 nan 4.420 nan 0.000 0.219 326 P C 1.071 178.363 177.300 -0.014 0.000 1.150 326 P CA 0.812 63.928 63.100 0.027 0.000 0.814 326 P CB 0.377 32.093 31.700 0.027 0.000 0.787 327 E N -0.397 119.789 120.200 -0.024 0.000 2.160 327 E HA -0.186 4.156 4.350 -0.013 0.000 0.195 327 E C 2.208 178.703 176.600 -0.174 0.000 0.991 327 E CA 1.176 57.535 56.400 -0.068 0.000 0.810 327 E CB -0.385 29.292 29.700 -0.038 0.000 0.742 327 E HN 0.095 nan 8.360 nan 0.000 0.466 328 R N -0.937 119.399 120.500 -0.274 0.000 2.142 328 R HA 0.185 4.518 4.340 -0.013 0.000 0.204 328 R C -0.357 175.435 176.300 -0.847 0.000 1.059 328 R CA 0.502 56.201 56.100 -0.668 0.000 1.055 328 R CB 0.419 30.064 30.300 -1.092 0.000 0.976 328 R HN 0.016 nan 8.270 nan 0.000 0.483 329 F N 2.069 121.940 119.950 -0.131 0.000 2.359 329 F HA 0.472 4.992 4.527 -0.013 0.000 0.370 329 F C -2.124 173.632 175.800 -0.074 0.000 1.077 329 F CA -2.851 55.093 58.000 -0.092 0.000 1.136 329 F CB 1.581 40.547 39.000 -0.057 0.000 1.387 329 F HN -0.119 nan 8.300 nan 0.000 0.468 330 P HA -0.025 nan 4.420 nan 0.000 0.266 330 P C -0.044 177.274 177.300 0.030 0.000 1.195 330 P CA 0.430 63.541 63.100 0.017 0.000 0.768 330 P CB 0.479 32.175 31.700 -0.007 0.000 0.838 331 D N 2.699 123.111 120.400 0.019 0.000 2.746 331 D HA -0.123 4.509 4.640 -0.013 0.000 0.241 331 D C -1.235 175.065 176.300 -0.000 0.000 1.140 331 D CA 0.253 54.266 54.000 0.021 0.000 0.707 331 D CB -0.548 40.266 40.800 0.024 0.000 1.034 331 D HN 0.273 nan 8.370 nan 0.000 0.423 332 P HA -0.146 nan 4.420 nan 0.000 0.220 332 P C 1.078 178.290 177.300 -0.146 0.000 1.148 332 P CA 1.076 64.105 63.100 -0.118 0.000 0.803 332 P CB -0.033 31.529 31.700 -0.230 0.000 0.782 333 H N -1.103 118.030 119.070 0.104 0.000 2.547 333 H HA 0.124 4.672 4.556 -0.013 0.000 0.266 333 H C 1.101 176.534 175.328 0.175 0.000 0.988 333 H CA 0.108 56.242 56.048 0.142 0.000 1.147 333 H CB -0.037 29.768 29.762 0.071 0.000 1.365 333 H HN 0.166 nan 8.280 nan 0.000 0.589 334 R N 0.982 121.563 120.500 0.135 0.000 2.265 334 R HA 0.072 4.404 4.340 -0.013 0.000 0.314 334 R C -0.942 175.248 176.300 -0.183 0.000 1.053 334 R CA -0.543 55.566 56.100 0.015 0.000 0.931 334 R CB 0.149 30.447 30.300 -0.003 0.000 1.024 334 R HN -0.079 nan 8.270 nan 0.000 0.457 335 F N 5.022 124.560 119.950 -0.687 0.000 2.434 335 F HA 0.177 4.696 4.527 -0.013 0.000 0.358 335 F C -0.684 174.816 175.800 -0.501 0.000 1.136 335 F CA -0.325 57.086 58.000 -0.981 0.000 1.157 335 F CB 0.561 38.520 39.000 -1.735 0.000 1.167 335 F HN 0.494 nan 8.300 nan 0.000 0.539 336 D N 6.810 126.804 120.400 -0.677 0.000 2.505 336 D HA 0.145 4.777 4.640 -0.013 0.000 0.250 336 D C 0.853 176.816 176.300 -0.562 0.000 1.164 336 D CA -0.479 53.223 54.000 -0.497 0.000 0.870 336 D CB 0.802 41.450 40.800 -0.253 0.000 1.160 336 D HN 0.598 nan 8.370 nan 0.000 0.549 337 I N 0.743 120.972 120.570 -0.567 0.000 3.111 337 I HA 0.105 4.267 4.170 -0.013 0.000 0.272 337 I C 1.210 177.184 176.117 -0.239 0.000 1.268 337 I CA 0.265 61.295 61.300 -0.450 0.000 1.467 337 I CB 0.162 37.954 38.000 -0.347 0.000 1.087 337 I HN 0.063 nan 8.210 nan 0.000 0.467 338 R N 1.673 122.055 120.500 -0.195 0.000 2.334 338 R HA 0.179 4.511 4.340 -0.013 0.000 0.216 338 R C 0.639 176.883 176.300 -0.092 0.000 0.905 338 R CA -0.295 55.737 56.100 -0.114 0.000 1.064 338 R CB 0.092 30.339 30.300 -0.088 0.000 1.046 338 R HN 0.530 nan 8.270 nan 0.000 0.508 339 R N 0.788 121.218 120.500 -0.116 0.000 2.774 339 R HA 0.051 4.383 4.340 -0.013 0.000 0.269 339 R C -0.335 175.956 176.300 -0.015 0.000 1.068 339 R CA -0.491 55.572 56.100 -0.061 0.000 1.180 339 R CB 0.282 30.547 30.300 -0.058 0.000 1.077 339 R HN -0.272 nan 8.270 nan 0.000 0.513 340 D N 0.912 121.324 120.400 0.020 0.000 2.342 340 D HA -0.007 4.626 4.640 -0.013 0.000 0.260 340 D C 0.440 176.825 176.300 0.142 0.000 1.278 340 D CA 0.084 54.115 54.000 0.051 0.000 0.910 340 D CB 1.052 41.865 40.800 0.022 0.000 1.079 340 D HN 0.671 nan 8.370 nan 0.000 0.496 341 T N 0.788 115.431 114.554 0.148 0.000 3.086 341 T HA 0.339 4.681 4.350 -0.013 0.000 0.250 341 T C 0.950 175.854 174.700 0.339 0.000 1.074 341 T CA -0.097 62.157 62.100 0.256 0.000 0.988 341 T CB 0.063 69.033 68.868 0.170 0.000 0.988 341 T HN 0.393 nan 8.240 nan 0.000 0.530 342 A N 0.967 123.906 122.820 0.198 0.000 2.567 342 A HA 0.472 4.785 4.320 -0.013 0.000 0.240 342 A C 1.704 179.381 177.584 0.155 0.000 1.053 342 A CA 0.406 52.522 52.037 0.131 0.000 0.755 342 A CB -1.186 17.850 19.000 0.060 0.000 0.978 342 A HN 1.588 nan 8.150 nan 0.000 0.507 343 G N 1.788 110.660 108.800 0.119 0.000 2.143 343 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.248 343 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.248 343 G C 0.277 175.438 174.900 0.434 0.000 0.991 343 G CA 0.536 45.747 45.100 0.185 0.000 0.689 343 G HN 1.918 nan 8.290 nan 0.000 0.522 344 H N -0.893 118.457 119.070 0.467 0.000 2.745 344 H HA 0.420 4.968 4.556 -0.013 0.000 0.373 344 H C 0.846 176.468 175.328 0.491 0.000 1.226 344 H CA 0.128 56.472 56.048 0.493 0.000 1.435 344 H CB 0.741 30.495 29.762 -0.012 0.000 1.461 344 H HN 0.175 nan 8.280 nan 0.000 0.616 345 L N 1.643 123.427 121.223 0.935 0.000 2.910 345 L HA 0.234 4.566 4.340 -0.013 0.000 0.252 345 L C 2.189 179.324 176.870 0.441 0.000 1.195 345 L CA 0.160 55.308 54.840 0.514 0.000 1.003 345 L CB 0.161 42.355 42.059 0.225 0.000 1.328 345 L HN 0.753 nan 8.230 nan 0.000 0.540 346 A N 0.329 123.497 122.820 0.579 0.000 2.024 346 A HA -0.107 4.206 4.320 -0.013 0.000 0.220 346 A C 1.698 179.206 177.584 -0.127 0.000 1.164 346 A CA 1.561 53.677 52.037 0.131 0.000 0.643 346 A CB -0.467 18.378 19.000 -0.259 0.000 0.806 346 A HN 0.462 nan 8.150 nan 0.000 0.451 347 F N -1.093 118.942 119.950 0.142 0.000 2.664 347 F HA 0.410 4.929 4.527 -0.013 0.000 0.303 347 F C 1.561 177.223 175.800 -0.231 0.000 1.092 347 F CA 0.367 58.249 58.000 -0.196 0.000 1.305 347 F CB 0.351 39.008 39.000 -0.570 0.000 1.054 347 F HN 0.495 nan 8.300 nan 0.000 0.565 348 G N 0.619 109.535 108.800 0.193 0.000 2.545 348 G HA2 -0.131 3.821 3.960 -0.013 0.000 0.216 348 G HA3 -0.131 3.821 3.960 -0.013 0.000 0.216 348 G C -1.414 173.779 174.900 0.487 0.000 1.314 348 G CA -0.371 44.870 45.100 0.235 0.000 0.906 348 G HN 0.552 nan 8.290 nan 0.000 0.563 349 H N -0.869 118.392 119.070 0.317 0.000 3.139 349 H HA 0.667 5.216 4.556 -0.013 0.000 0.325 349 H C 0.407 175.835 175.328 0.166 0.000 1.146 349 H CA 1.928 58.140 56.048 0.274 0.000 1.351 349 H CB 0.988 30.824 29.762 0.124 0.000 2.005 349 H HN 2.732 nan 8.280 nan 0.000 0.517 350 G N 2.401 110.951 108.800 -0.416 0.000 2.512 350 G HA2 -0.200 3.753 3.960 -0.013 0.000 0.210 350 G HA3 -0.200 3.753 3.960 -0.013 0.000 0.210 350 G C 1.176 175.991 174.900 -0.143 0.000 1.295 350 G CA 0.084 44.935 45.100 -0.415 0.000 0.934 350 G HN 1.283 nan 8.290 nan 0.000 0.554 351 I N -2.414 118.043 120.570 -0.189 0.000 2.676 351 I HA 0.098 4.260 4.170 -0.013 0.000 0.259 351 I C 1.693 177.635 176.117 -0.292 0.000 1.194 351 I CA 1.606 62.764 61.300 -0.237 0.000 1.473 351 I CB -0.324 37.444 38.000 -0.388 0.000 1.096 351 I HN 0.470 nan 8.210 nan 0.000 0.443 352 H N 0.972 119.998 119.070 -0.074 0.000 2.533 352 H HA 0.143 4.691 4.556 -0.013 0.000 0.271 352 H C 0.197 175.599 175.328 0.124 0.000 1.000 352 H CA -0.321 55.740 56.048 0.021 0.000 1.149 352 H CB -0.370 29.364 29.762 -0.046 0.000 1.375 352 H HN 0.350 nan 8.280 nan 0.000 0.582 353 F N 2.046 122.044 119.950 0.080 0.000 2.623 353 F HA -0.103 4.416 4.527 -0.013 0.000 0.386 353 F C 0.872 176.723 175.800 0.085 0.000 1.068 353 F CA -0.455 57.605 58.000 0.100 0.000 1.265 353 F CB 0.303 39.345 39.000 0.070 0.000 1.026 353 F HN 0.129 nan 8.300 nan 0.000 0.568 354 C N 9.079 128.103 119.300 -0.460 0.000 2.106 354 C HA -0.126 4.326 4.460 -0.013 0.000 0.402 354 C C 2.000 176.834 174.990 -0.259 0.000 1.548 354 C CA 0.091 58.901 59.018 -0.346 0.000 1.432 354 C CB -1.981 25.546 27.740 -0.354 0.000 2.584 354 C HN 0.973 nan 8.230 nan 0.000 0.604 355 I N 4.646 125.122 120.570 -0.157 0.000 2.676 355 I HA 0.049 4.211 4.170 -0.013 0.000 0.259 355 I C 2.018 177.970 176.117 -0.275 0.000 1.194 355 I CA 1.607 62.808 61.300 -0.166 0.000 1.473 355 I CB -0.095 37.771 38.000 -0.223 0.000 1.096 355 I HN 0.912 nan 8.210 nan 0.000 0.443 356 G N -0.416 108.187 108.800 -0.328 0.000 3.141 356 G HA2 0.128 4.080 3.960 -0.013 0.000 0.218 356 G HA3 0.128 4.080 3.960 -0.013 0.000 0.218 356 G C 1.518 176.296 174.900 -0.204 0.000 1.170 356 G CA 0.477 45.425 45.100 -0.253 0.000 0.769 356 G HN 0.455 nan 8.290 nan 0.000 0.546 357 A N 1.921 124.497 122.820 -0.408 0.000 1.902 357 A HA 0.047 4.359 4.320 -0.013 0.000 0.217 357 A C 0.608 177.982 177.584 -0.350 0.000 1.181 357 A CA 1.521 53.059 52.037 -0.832 0.000 0.623 357 A CB -0.855 17.309 19.000 -1.393 0.000 0.818 357 A HN 0.337 nan 8.150 nan 0.000 0.443 358 P HA -0.118 nan 4.420 nan 0.000 0.217 358 P C 1.624 178.938 177.300 0.024 0.000 1.150 358 P CA 0.715 63.802 63.100 -0.021 0.000 0.832 358 P CB -0.053 31.666 31.700 0.031 0.000 0.787 359 L N -0.202 121.053 121.223 0.053 0.000 2.056 359 L HA -0.040 4.293 4.340 -0.013 0.000 0.207 359 L C 2.209 179.120 176.870 0.068 0.000 1.078 359 L CA 1.961 56.851 54.840 0.083 0.000 0.749 359 L CB -1.624 40.528 42.059 0.155 0.000 0.901 359 L HN -0.127 nan 8.230 nan 0.000 0.433 360 A N -0.326 122.534 122.820 0.066 0.000 1.883 360 A HA -0.232 4.080 4.320 -0.013 0.000 0.217 360 A C 2.444 180.116 177.584 0.146 0.000 1.186 360 A CA 1.913 54.025 52.037 0.125 0.000 0.624 360 A CB -0.556 18.580 19.000 0.226 0.000 0.822 360 A HN 0.495 nan 8.150 nan 0.000 0.444 361 R N -1.251 119.334 120.500 0.142 0.000 2.081 361 R HA -0.102 4.230 4.340 -0.013 0.000 0.235 361 R C 2.158 178.515 176.300 0.096 0.000 1.131 361 R CA 1.394 57.583 56.100 0.149 0.000 0.960 361 R CB -0.586 29.795 30.300 0.136 0.000 0.856 361 R HN 0.493 nan 8.270 nan 0.000 0.436 362 L N 1.673 122.938 121.223 0.070 0.000 1.989 362 L HA -0.198 4.134 4.340 -0.013 0.000 0.211 362 L C 1.785 178.684 176.870 0.048 0.000 1.071 362 L CA 1.891 56.762 54.840 0.051 0.000 0.749 362 L CB -0.397 41.686 42.059 0.040 0.000 0.890 362 L HN 0.138 nan 8.230 nan 0.000 0.431 363 E N -0.564 119.667 120.200 0.052 0.000 2.051 363 E HA -0.205 4.137 4.350 -0.013 0.000 0.192 363 E C 2.165 178.793 176.600 0.047 0.000 0.991 363 E CA 1.192 57.617 56.400 0.040 0.000 0.799 363 E CB -0.364 29.358 29.700 0.037 0.000 0.748 363 E HN 0.657 nan 8.360 nan 0.000 0.449 364 A N 1.253 124.114 122.820 0.069 0.000 1.933 364 A HA -0.183 4.129 4.320 -0.013 0.000 0.218 364 A C 2.054 179.676 177.584 0.063 0.000 1.175 364 A CA 1.302 53.383 52.037 0.073 0.000 0.628 364 A CB -0.336 18.724 19.000 0.100 0.000 0.814 364 A HN 0.063 nan 8.150 nan 0.000 0.444 365 R N -0.664 119.873 120.500 0.063 0.000 2.075 365 R HA 0.045 4.377 4.340 -0.013 0.000 0.232 365 R C 1.984 178.306 176.300 0.036 0.000 1.126 365 R CA 1.481 57.613 56.100 0.053 0.000 0.963 365 R CB -0.383 29.950 30.300 0.054 0.000 0.858 365 R HN 0.562 nan 8.270 nan 0.000 0.435 366 I N 0.386 120.974 120.570 0.030 0.000 2.252 366 I HA -0.229 3.933 4.170 -0.013 0.000 0.245 366 I C 2.561 178.684 176.117 0.010 0.000 1.102 366 I CA 1.117 62.427 61.300 0.016 0.000 1.385 366 I CB -0.389 37.618 38.000 0.012 0.000 1.064 366 I HN 0.195 nan 8.210 nan 0.000 0.414 367 A N 0.488 123.316 122.820 0.015 0.000 1.908 367 A HA -0.162 4.150 4.320 -0.013 0.000 0.218 367 A C 2.437 180.027 177.584 0.009 0.000 1.181 367 A CA 1.847 53.889 52.037 0.009 0.000 0.627 367 A CB -0.964 18.047 19.000 0.017 0.000 0.818 367 A HN 0.241 nan 8.150 nan 0.000 0.445 368 V N -0.052 119.877 119.914 0.024 0.000 2.307 368 V HA -0.240 3.872 4.120 -0.013 0.000 0.245 368 V C 2.659 178.763 176.094 0.017 0.000 1.045 368 V CA 2.255 64.572 62.300 0.029 0.000 1.024 368 V CB -0.785 31.066 31.823 0.047 0.000 0.651 368 V HN 0.688 nan 8.190 nan 0.000 0.449 369 R N 0.210 120.719 120.500 0.015 0.000 2.105 369 R HA -0.175 4.157 4.340 -0.013 0.000 0.239 369 R C 2.232 178.528 176.300 -0.007 0.000 1.135 369 R CA 1.709 57.814 56.100 0.007 0.000 0.967 369 R CB -0.404 29.901 30.300 0.009 0.000 0.861 369 R HN 0.494 nan 8.270 nan 0.000 0.442 370 A N 0.980 123.792 122.820 -0.014 0.000 1.873 370 A HA -0.100 4.212 4.320 -0.013 0.000 0.215 370 A C 2.184 179.736 177.584 -0.053 0.000 1.186 370 A CA 1.107 53.124 52.037 -0.033 0.000 0.616 370 A CB -0.489 18.488 19.000 -0.037 0.000 0.823 370 A HN 0.337 nan 8.150 nan 0.000 0.442 371 L N -0.696 120.496 121.223 -0.051 0.000 2.046 371 L HA -0.171 4.161 4.340 -0.013 0.000 0.208 371 L C 2.531 179.371 176.870 -0.051 0.000 1.077 371 L CA 1.047 55.844 54.840 -0.072 0.000 0.747 371 L CB -0.468 41.564 42.059 -0.045 0.000 0.896 371 L HN 0.363 nan 8.230 nan 0.000 0.432 372 L N -0.833 120.378 121.223 -0.020 0.000 2.109 372 L HA -0.139 4.193 4.340 -0.013 0.000 0.207 372 L C 2.380 179.245 176.870 -0.009 0.000 1.086 372 L CA 1.086 55.924 54.840 -0.003 0.000 0.760 372 L CB -0.297 41.769 42.059 0.011 0.000 0.910 372 L HN 0.272 nan 8.230 nan 0.000 0.437 373 E N -0.338 119.851 120.200 -0.018 0.000 2.285 373 E HA -0.078 4.264 4.350 -0.013 0.000 0.194 373 E C 1.900 178.482 176.600 -0.030 0.000 0.997 373 E CA 0.514 56.903 56.400 -0.017 0.000 0.845 373 E CB 0.278 29.970 29.700 -0.014 0.000 0.782 373 E HN 0.394 nan 8.360 nan 0.000 0.491 374 R N -0.731 119.734 120.500 -0.058 0.000 2.373 374 R HA 0.212 4.544 4.340 -0.013 0.000 0.221 374 R C -0.018 176.206 176.300 -0.128 0.000 0.893 374 R CA -0.027 56.022 56.100 -0.085 0.000 1.049 374 R CB 0.890 31.125 30.300 -0.108 0.000 1.119 374 R HN 0.002 nan 8.270 nan 0.000 0.535 375 C N 3.933 123.156 119.300 -0.128 0.000 2.206 375 C HA 0.344 4.796 4.460 -0.013 0.000 0.324 375 C C -2.224 172.784 174.990 0.030 0.000 1.120 375 C CA -2.010 56.925 59.018 -0.139 0.000 1.546 375 C CB 0.681 28.304 27.740 -0.196 0.000 2.023 375 C HN 0.169 nan 8.230 nan 0.000 0.448 376 P HA 0.108 nan 4.420 nan 0.000 0.267 376 P C -0.073 177.309 177.300 0.138 0.000 1.209 376 P CA 1.017 64.177 63.100 0.100 0.000 0.763 376 P CB 0.457 32.222 31.700 0.109 0.000 0.816 377 D N -0.827 119.630 120.400 0.096 0.000 2.837 377 D HA -0.187 4.445 4.640 -0.013 0.000 0.230 377 D C 0.443 176.815 176.300 0.120 0.000 1.152 377 D CA 0.581 54.635 54.000 0.091 0.000 0.736 377 D CB -1.732 39.114 40.800 0.077 0.000 1.084 377 D HN 0.321 nan 8.370 nan 0.000 0.429 378 L N -0.088 121.218 121.223 0.138 0.000 2.628 378 L HA 0.271 4.604 4.340 -0.013 0.000 0.292 378 L C 0.417 177.357 176.870 0.117 0.000 1.250 378 L CA 0.953 55.891 54.840 0.164 0.000 0.892 378 L CB 0.276 42.404 42.059 0.114 0.000 1.138 378 L HN 0.293 nan 8.230 nan 0.000 0.502 379 A N 4.732 127.628 122.820 0.127 0.000 2.599 379 A HA 0.577 4.889 4.320 -0.013 0.000 0.290 379 A C -1.122 176.516 177.584 0.089 0.000 1.101 379 A CA -0.878 51.209 52.037 0.083 0.000 0.674 379 A CB 0.486 19.519 19.000 0.055 0.000 1.277 379 A HN 0.693 nan 8.150 nan 0.000 0.419 380 L N 0.497 121.762 121.223 0.069 0.000 2.467 380 L HA 0.253 4.585 4.340 -0.013 0.000 0.270 380 L C 0.069 176.971 176.870 0.054 0.000 1.205 380 L CA 0.259 55.145 54.840 0.077 0.000 0.828 380 L CB 0.587 42.700 42.059 0.089 0.000 1.101 380 L HN 0.876 nan 8.230 nan 0.000 0.479 381 D N 1.818 122.245 120.400 0.046 0.000 2.957 381 D HA 0.416 5.048 4.640 -0.013 0.000 0.352 381 D C -0.895 175.409 176.300 0.007 0.000 1.352 381 D CA 0.056 54.066 54.000 0.017 0.000 0.831 381 D CB 0.627 41.428 40.800 0.002 0.000 1.147 381 D HN 0.153 nan 8.370 nan 0.000 0.467 382 V N -0.172 119.753 119.914 0.018 0.000 3.300 382 V HA 0.466 4.578 4.120 -0.013 0.000 0.289 382 V C -1.020 175.091 176.094 0.029 0.000 1.533 382 V CA -0.430 61.876 62.300 0.010 0.000 1.059 382 V CB 1.901 33.720 31.823 -0.007 0.000 1.161 382 V HN 0.264 nan 8.190 nan 0.000 0.462 383 S N 3.401 119.116 115.700 0.024 0.000 2.592 383 S HA 0.462 4.925 4.470 -0.013 0.000 0.271 383 S C -1.752 172.888 174.600 0.067 0.000 1.326 383 S CA -0.299 57.926 58.200 0.041 0.000 1.024 383 S CB 1.178 64.394 63.200 0.027 0.000 0.921 383 S HN 0.644 nan 8.310 nan 0.000 0.527 384 P HA -0.122 nan 4.420 nan 0.000 0.220 384 P C 1.565 178.929 177.300 0.106 0.000 1.155 384 P CA 1.996 65.199 63.100 0.171 0.000 0.880 384 P CB -0.465 31.355 31.700 0.200 0.000 0.790 385 G N -1.536 107.305 108.800 0.070 0.000 2.559 385 G HA2 -0.170 3.782 3.960 -0.013 0.000 0.216 385 G HA3 -0.170 3.782 3.960 -0.013 0.000 0.216 385 G C 1.497 176.414 174.900 0.028 0.000 1.126 385 G CA 1.038 46.168 45.100 0.049 0.000 0.778 385 G HN 0.420 nan 8.290 nan 0.000 0.543 386 E N 0.263 120.469 120.200 0.011 0.000 2.447 386 E HA 0.417 4.759 4.350 -0.013 0.000 0.195 386 E C 1.093 177.661 176.600 -0.053 0.000 1.028 386 E CA -0.361 56.029 56.400 -0.017 0.000 0.876 386 E CB -0.211 29.476 29.700 -0.021 0.000 0.885 386 E HN 0.436 nan 8.360 nan 0.000 0.500 387 L N 1.044 122.225 121.223 -0.069 0.000 2.490 387 L HA 0.248 4.581 4.340 -0.013 0.000 0.274 387 L C -0.232 176.539 176.870 -0.165 0.000 1.201 387 L CA -0.467 54.257 54.840 -0.193 0.000 0.869 387 L CB 1.483 43.348 42.059 -0.323 0.000 1.123 387 L HN 0.088 nan 8.230 nan 0.000 0.484 388 V N 1.900 121.642 119.914 -0.285 0.000 2.311 388 V HA 0.215 4.328 4.120 -0.013 0.000 0.275 388 V C -0.551 175.330 176.094 -0.356 0.000 1.022 388 V CA -0.644 61.535 62.300 -0.203 0.000 0.830 388 V CB 0.533 32.249 31.823 -0.178 0.000 1.012 388 V HN 0.550 nan 8.190 nan 0.000 0.452 389 W N 3.476 124.653 121.300 -0.205 0.000 2.316 389 W HA 0.538 5.190 4.660 -0.013 0.000 0.311 389 W C 0.310 176.745 176.519 -0.140 0.000 1.217 389 W CA -0.761 56.431 57.345 -0.255 0.000 1.199 389 W CB 0.202 29.554 29.460 -0.180 0.000 1.202 389 W HN 0.566 nan 8.180 nan 0.000 0.528 390 Y N 3.729 124.138 120.300 0.180 0.000 2.811 390 Y HA -0.006 4.537 4.550 -0.012 0.000 0.334 390 Y C -1.004 175.009 175.900 0.188 0.000 1.247 390 Y CA -1.709 56.491 58.100 0.168 0.000 1.526 390 Y CB -0.189 38.432 38.460 0.268 0.000 1.284 390 Y HN 0.215 nan 8.280 nan 0.000 0.586 391 P HA -0.029 nan 4.420 nan 0.000 0.226 391 P C -0.747 176.707 177.300 0.258 0.000 1.783 391 P CA 0.219 63.462 63.100 0.240 0.000 0.980 391 P CB -0.024 31.782 31.700 0.176 0.000 1.967 392 N N 2.051 120.930 118.700 0.299 0.000 2.430 392 N HA 0.278 5.010 4.740 -0.013 0.000 0.298 392 N C -1.772 173.880 175.510 0.236 0.000 1.130 392 N CA -2.087 51.125 53.050 0.269 0.000 0.894 392 N CB 2.530 41.200 38.487 0.306 0.000 1.209 392 N HN -0.061 nan 8.380 nan 0.000 0.503 393 P HA 0.063 nan 4.420 nan 0.000 0.214 393 P C 1.396 178.806 177.300 0.185 0.000 1.152 393 P CA 0.970 64.202 63.100 0.219 0.000 0.874 393 P CB 0.423 32.252 31.700 0.215 0.000 0.782 394 M N -0.900 118.802 119.600 0.171 0.000 2.319 394 M HA 0.086 4.559 4.480 -0.013 0.000 0.265 394 M C 0.883 177.266 176.300 0.138 0.000 1.068 394 M CA 0.978 56.361 55.300 0.138 0.000 1.118 394 M CB -0.493 32.181 32.600 0.123 0.000 1.395 394 M HN -0.098 nan 8.290 nan 0.000 0.435 395 I N 0.649 121.330 120.570 0.185 0.000 2.465 395 I HA 0.333 4.495 4.170 -0.013 0.000 0.291 395 I C -0.176 176.127 176.117 0.311 0.000 1.014 395 I CA -0.601 60.837 61.300 0.231 0.000 1.093 395 I CB 1.961 40.108 38.000 0.246 0.000 1.267 395 I HN 0.052 nan 8.210 nan 0.000 0.431 396 R N 3.978 124.650 120.500 0.286 0.000 2.239 396 R HA 0.710 5.043 4.340 -0.013 0.000 0.332 396 R C -0.450 176.072 176.300 0.369 0.000 0.988 396 R CA -0.184 56.106 56.100 0.316 0.000 0.859 396 R CB 0.938 31.369 30.300 0.218 0.000 1.148 396 R HN 0.906 nan 8.270 nan 0.000 0.482 397 G N 2.641 111.602 108.800 0.267 0.000 2.608 397 G HA2 0.414 4.367 3.960 -0.013 0.000 0.291 397 G HA3 0.414 4.367 3.960 -0.013 0.000 0.291 397 G C -1.791 172.449 174.900 -1.100 0.000 1.425 397 G CA -0.820 44.158 45.100 -0.203 0.000 0.787 397 G HN 0.407 nan 8.290 nan 0.000 0.484 398 L N 0.283 120.866 121.223 -1.068 0.000 2.331 398 L HA 0.459 4.792 4.340 -0.013 0.000 0.275 398 L C 1.390 177.853 176.870 -0.678 0.000 1.022 398 L CA -0.868 53.329 54.840 -1.071 0.000 0.812 398 L CB 2.306 43.821 42.059 -0.907 0.000 1.257 398 L HN 0.647 nan 8.230 nan 0.000 0.435 399 K N 1.335 121.460 120.400 -0.458 0.000 2.103 399 K HA 0.165 4.478 4.320 -0.013 0.000 0.204 399 K C 0.276 176.819 176.600 -0.095 0.000 1.052 399 K CA 0.885 57.115 56.287 -0.095 0.000 0.945 399 K CB 0.255 32.650 32.500 -0.175 0.000 0.722 399 K HN 0.697 nan 8.250 nan 0.000 0.443 400 A N 0.390 123.093 122.820 -0.195 0.000 2.594 400 A HA 0.614 4.926 4.320 -0.013 0.000 0.291 400 A C -1.945 175.526 177.584 -0.189 0.000 1.105 400 A CA -0.692 51.262 52.037 -0.138 0.000 0.694 400 A CB 1.526 20.469 19.000 -0.096 0.000 1.291 400 A HN 0.060 nan 8.150 nan 0.000 0.410 401 L N 1.144 122.301 121.223 -0.109 0.000 2.489 401 L HA 0.500 4.832 4.340 -0.013 0.000 0.257 401 L C -2.869 173.993 176.870 -0.013 0.000 1.215 401 L CA -1.472 53.312 54.840 -0.093 0.000 0.915 401 L CB 1.323 43.333 42.059 -0.082 0.000 1.146 401 L HN 0.292 nan 8.230 nan 0.000 0.494 402 P HA 0.272 nan 4.420 nan 0.000 0.267 402 P C -0.619 176.718 177.300 0.061 0.000 1.209 402 P CA 0.459 63.571 63.100 0.021 0.000 0.763 402 P CB 0.460 32.157 31.700 -0.004 0.000 0.816 403 I N -0.669 119.968 120.570 0.110 0.000 3.108 403 I HA 0.987 5.149 4.170 -0.013 0.000 0.312 403 I C -0.196 176.021 176.117 0.166 0.000 1.095 403 I CA -1.482 59.915 61.300 0.162 0.000 1.000 403 I CB 2.286 40.418 38.000 0.220 0.000 1.229 403 I HN 0.135 nan 8.210 nan 0.000 0.454 404 R N 1.658 122.262 120.500 0.173 0.000 2.643 404 R HA 0.763 5.095 4.340 -0.013 0.000 0.269 404 R C -2.052 174.364 176.300 0.192 0.000 1.037 404 R CA -0.414 55.678 56.100 -0.013 0.000 0.894 404 R CB 0.886 31.116 30.300 -0.117 0.000 1.238 404 R HN 1.056 nan 8.270 nan 0.000 0.459 405 W N -0.119 121.186 121.300 0.008 0.000 3.165 405 W HA 0.759 5.411 4.660 -0.013 0.000 0.351 405 W C 0.038 176.561 176.519 0.006 0.000 1.164 405 W CA -1.219 56.131 57.345 0.008 0.000 1.074 405 W CB 1.286 30.752 29.460 0.010 0.000 1.499 405 W HN 0.835 nan 8.180 nan 0.000 0.600 406 R N 1.351 121.979 120.500 0.213 0.000 2.207 406 R HA 0.663 4.995 4.340 -0.013 0.000 0.334 406 R C 0.671 177.045 176.300 0.123 0.000 1.013 406 R CA -0.231 55.919 56.100 0.083 0.000 0.858 406 R CB 0.674 31.024 30.300 0.082 0.000 1.094 406 R HN 0.838 nan 8.270 nan 0.000 0.457 407 R N 0.000 120.503 120.500 0.005 0.000 2.786 407 R HA 0.000 4.332 4.340 -0.013 0.000 0.208 407 R CA 0.000 56.118 56.100 0.031 0.000 0.921 407 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 407 R HN 0.000 nan 8.270 nan 0.000 0.535