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 2vz7_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 RWR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 14 V HA 0.000 nan 4.120 nan 0.000 0.244 14 V C 0.000 176.047 176.094 -0.078 0.000 1.182 14 V CA 0.000 62.251 62.300 -0.083 0.000 1.235 14 V CB 0.000 31.763 31.823 -0.100 0.000 1.184 15 L N 3.628 124.803 121.223 -0.081 0.000 2.462 15 L HA 0.573 4.905 4.340 -0.013 0.000 0.272 15 L C 0.067 176.870 176.870 -0.112 0.000 1.166 15 L CA 0.919 55.705 54.840 -0.090 0.000 0.880 15 L CB 0.735 42.740 42.059 -0.090 0.000 1.142 15 L HN 0.728 nan 8.230 nan 0.000 0.473 16 D N 4.584 124.913 120.400 -0.119 0.000 2.412 16 D HA 0.166 4.798 4.640 -0.013 0.000 0.224 16 D C 1.012 177.184 176.300 -0.213 0.000 1.093 16 D CA -0.190 53.730 54.000 -0.133 0.000 0.850 16 D CB 0.791 41.533 40.800 -0.096 0.000 1.046 16 D HN 0.716 nan 8.370 nan 0.000 0.507 17 L N 2.858 123.906 121.223 -0.293 0.000 2.093 17 L HA 0.008 4.340 4.340 -0.013 0.000 0.208 17 L C 2.438 178.998 176.870 -0.517 0.000 1.085 17 L CA 1.176 55.653 54.840 -0.605 0.000 0.755 17 L CB -0.268 41.412 42.059 -0.631 0.000 0.904 17 L HN 0.450 nan 8.230 nan 0.000 0.435 18 G N 0.060 108.714 108.800 -0.242 0.000 2.404 18 G HA2 -0.163 3.790 3.960 -0.013 0.000 0.215 18 G HA3 -0.163 3.790 3.960 -0.013 0.000 0.215 18 G C 1.162 176.004 174.900 -0.096 0.000 1.174 18 G CA 0.501 45.531 45.100 -0.117 0.000 0.780 18 G HN 0.423 nan 8.290 nan 0.000 0.537 19 A N 0.267 123.025 122.820 -0.103 0.000 3.029 19 A HA 0.566 4.879 4.320 -0.013 0.000 0.251 19 A C 0.850 178.382 177.584 -0.087 0.000 1.749 19 A CA 0.035 52.029 52.037 -0.072 0.000 1.386 19 A CB -0.254 18.709 19.000 -0.061 0.000 1.043 19 A HN 0.298 nan 8.150 nan 0.000 0.638 20 L N -0.628 120.543 121.223 -0.086 0.000 3.360 20 L HA 0.330 4.662 4.340 -0.013 0.000 0.303 20 L C 0.776 177.654 176.870 0.013 0.000 1.218 20 L CA 1.370 56.172 54.840 -0.063 0.000 1.059 20 L CB -0.457 41.509 42.059 -0.155 0.000 1.468 20 L HN 0.877 nan 8.230 nan 0.000 0.614 21 G N 0.700 109.514 108.800 0.024 0.000 2.705 21 G HA2 -0.242 3.711 3.960 -0.013 0.000 0.686 21 G HA3 -0.242 3.711 3.960 -0.013 0.000 0.686 21 G C 0.207 175.160 174.900 0.088 0.000 1.285 21 G CA -0.125 45.003 45.100 0.046 0.000 0.800 21 G HN 0.252 nan 8.290 nan 0.000 0.611 22 Q N 0.153 119.995 119.800 0.071 0.000 2.561 22 Q HA 0.033 4.366 4.340 -0.013 0.000 0.217 22 Q C 1.816 177.867 176.000 0.085 0.000 0.980 22 Q CA 1.587 57.440 55.803 0.083 0.000 0.927 22 Q CB 0.121 28.888 28.738 0.048 0.000 0.980 22 Q HN 0.676 nan 8.270 nan 0.000 0.525 23 D N -0.130 120.318 120.400 0.080 0.000 2.123 23 D HA -0.142 4.490 4.640 -0.013 0.000 0.200 23 D C 1.440 177.772 176.300 0.053 0.000 0.976 23 D CA 0.744 54.776 54.000 0.053 0.000 0.831 23 D CB -0.192 40.633 40.800 0.043 0.000 0.974 23 D HN 0.270 nan 8.370 nan 0.000 0.469 24 F N 2.369 122.293 119.950 -0.044 0.000 2.091 24 F HA -0.270 4.249 4.527 -0.013 0.000 0.299 24 F C 2.255 178.017 175.800 -0.063 0.000 1.103 24 F CA 1.669 59.624 58.000 -0.076 0.000 1.228 24 F CB -0.352 38.608 39.000 -0.066 0.000 0.984 24 F HN -0.082 nan 8.300 nan 0.000 0.477 25 A N 0.606 123.450 122.820 0.040 0.000 1.841 25 A HA -0.121 4.191 4.320 -0.013 0.000 0.216 25 A C 2.492 179.993 177.584 -0.137 0.000 1.199 25 A CA 2.426 54.453 52.037 -0.017 0.000 0.621 25 A CB -1.757 17.322 19.000 0.132 0.000 0.835 25 A HN 0.574 nan 8.150 nan 0.000 0.445 26 A N -1.026 121.761 122.820 -0.056 0.000 1.927 26 A HA -0.088 4.225 4.320 -0.013 0.000 0.220 26 A C 1.057 178.419 177.584 -0.370 0.000 1.185 26 A CA 2.179 54.135 52.037 -0.134 0.000 0.639 26 A CB -0.403 18.621 19.000 0.041 0.000 0.820 26 A HN 0.588 nan 8.150 nan 0.000 0.451 27 D N -2.785 117.463 120.400 -0.254 0.000 2.323 27 D HA 0.323 4.956 4.640 -0.013 0.000 0.242 27 D C -2.372 173.773 176.300 -0.258 0.000 1.347 27 D CA -1.270 52.598 54.000 -0.220 0.000 0.988 27 D CB 1.591 42.288 40.800 -0.173 0.000 1.314 27 D HN 0.037 nan 8.370 nan 0.000 0.564 28 P HA 0.030 nan 4.420 nan 0.000 0.272 28 P C 0.773 177.641 177.300 -0.720 0.000 1.276 28 P CA -0.021 62.516 63.100 -0.940 0.000 0.871 28 P CB 0.257 30.915 31.700 -1.737 0.000 1.313 29 Y N 2.277 122.319 120.300 -0.431 0.000 2.193 29 Y HA -0.114 4.429 4.550 -0.012 0.000 0.285 29 Y C -0.025 175.816 175.900 -0.099 0.000 1.166 29 Y CA 1.838 59.837 58.100 -0.167 0.000 1.181 29 Y CB -2.767 35.650 38.460 -0.072 0.000 0.976 29 Y HN 0.200 nan 8.280 nan 0.000 0.520 30 P HA -0.106 nan 4.420 nan 0.000 0.215 30 P C 1.417 178.713 177.300 -0.006 0.000 1.157 30 P CA 1.873 64.983 63.100 0.017 0.000 0.859 30 P CB -0.091 31.599 31.700 -0.018 0.000 0.786 31 T N -0.144 114.361 114.554 -0.082 0.000 2.635 31 T HA -0.215 4.127 4.350 -0.013 0.000 0.267 31 T C 1.894 176.595 174.700 0.003 0.000 1.040 31 T CA 1.702 63.768 62.100 -0.058 0.000 1.156 31 T CB -1.325 67.524 68.868 -0.033 0.000 0.863 31 T HN 0.194 nan 8.240 nan 0.000 0.430 32 Y N 1.191 121.516 120.300 0.041 0.000 2.165 32 Y HA -0.122 4.420 4.550 -0.013 0.000 0.286 32 Y C 2.930 178.843 175.900 0.021 0.000 1.155 32 Y CA 0.379 58.484 58.100 0.008 0.000 1.164 32 Y CB -0.439 37.992 38.460 -0.047 0.000 0.978 32 Y HN 0.219 nan 8.280 nan 0.000 0.513 33 A N 0.653 123.591 122.820 0.196 0.000 1.902 33 A HA -0.246 4.066 4.320 -0.013 0.000 0.217 33 A C 2.200 179.848 177.584 0.106 0.000 1.181 33 A CA 1.792 53.923 52.037 0.156 0.000 0.623 33 A CB -0.774 18.325 19.000 0.165 0.000 0.818 33 A HN 0.449 nan 8.150 nan 0.000 0.443 34 R N -0.374 120.168 120.500 0.070 0.000 2.193 34 R HA -0.022 4.310 4.340 -0.013 0.000 0.229 34 R C 1.592 177.888 176.300 -0.006 0.000 1.110 34 R CA 1.274 57.394 56.100 0.033 0.000 0.988 34 R CB -0.292 30.015 30.300 0.012 0.000 0.871 34 R HN 0.546 nan 8.270 nan 0.000 0.458 35 L N -0.355 120.843 121.223 -0.041 0.000 2.249 35 L HA 0.050 4.383 4.340 -0.013 0.000 0.207 35 L C 2.758 179.637 176.870 0.016 0.000 1.090 35 L CA 0.509 55.187 54.840 -0.270 0.000 0.802 35 L CB -0.400 41.415 42.059 -0.407 0.000 0.947 35 L HN 0.162 nan 8.230 nan 0.000 0.453 36 R N 0.883 121.458 120.500 0.124 0.000 2.105 36 R HA -0.188 4.144 4.340 -0.013 0.000 0.239 36 R C 2.267 178.670 176.300 0.171 0.000 1.135 36 R CA 1.408 57.618 56.100 0.185 0.000 0.967 36 R CB -0.173 30.213 30.300 0.145 0.000 0.861 36 R HN 0.328 nan 8.270 nan 0.000 0.442 37 A N 1.285 124.181 122.820 0.127 0.000 1.892 37 A HA -0.210 4.102 4.320 -0.013 0.000 0.218 37 A C 1.808 179.468 177.584 0.127 0.000 1.188 37 A CA 1.854 53.956 52.037 0.107 0.000 0.631 37 A CB -0.396 18.651 19.000 0.079 0.000 0.822 37 A HN 0.556 nan 8.150 nan 0.000 0.447 38 E N -1.422 118.880 120.200 0.170 0.000 2.371 38 E HA 0.331 4.673 4.350 -0.013 0.000 0.194 38 E C 0.803 177.539 176.600 0.227 0.000 1.012 38 E CA 0.272 56.795 56.400 0.204 0.000 0.860 38 E CB 0.138 29.978 29.700 0.234 0.000 0.811 38 E HN 0.587 nan 8.360 nan 0.000 0.502 39 G N 0.627 109.600 108.800 0.289 0.000 2.387 39 G HA2 0.097 4.050 3.960 -0.013 0.000 0.294 39 G HA3 0.097 4.050 3.960 -0.013 0.000 0.294 39 G C -2.694 172.235 174.900 0.049 0.000 1.509 39 G CA -0.845 44.283 45.100 0.046 0.000 0.806 39 G HN -0.283 nan 8.290 nan 0.000 0.546 40 P HA 0.250 nan 4.420 nan 0.000 0.226 40 P C 0.609 177.899 177.300 -0.016 0.000 1.161 40 P CA 1.120 64.224 63.100 0.007 0.000 0.804 40 P CB 0.781 32.475 31.700 -0.010 0.000 0.829 41 A N 0.344 123.083 122.820 -0.135 0.000 2.343 41 A HA 0.676 4.988 4.320 -0.013 0.000 0.316 41 A C -0.708 176.787 177.584 -0.148 0.000 1.104 41 A CA -0.502 51.522 52.037 -0.023 0.000 0.768 41 A CB 0.975 19.979 19.000 0.006 0.000 1.213 41 A HN 0.076 nan 8.150 nan 0.000 0.456 42 H N 0.738 120.003 119.070 0.326 0.000 2.928 42 H HA 0.479 5.027 4.556 -0.013 0.000 0.371 42 H C -0.813 174.544 175.328 0.048 0.000 1.186 42 H CA -0.660 55.511 56.048 0.206 0.000 1.134 42 H CB 2.038 31.860 29.762 0.099 0.000 1.824 42 H HN 0.763 nan 8.280 nan 0.000 0.554 43 R N 1.553 121.927 120.500 -0.210 0.000 2.393 43 R HA 0.514 4.847 4.340 -0.013 0.000 0.310 43 R C -0.789 175.332 176.300 -0.299 0.000 0.968 43 R CA -0.637 55.068 56.100 -0.659 0.000 0.867 43 R CB 1.023 30.608 30.300 -1.191 0.000 1.124 43 R HN 0.459 nan 8.270 nan 0.000 0.450 44 V N 0.597 120.364 119.914 -0.245 0.000 3.167 44 V HA 0.647 4.759 4.120 -0.013 0.000 0.310 44 V C -1.205 174.812 176.094 -0.129 0.000 1.207 44 V CA -1.221 60.995 62.300 -0.140 0.000 1.059 44 V CB 1.990 33.776 31.823 -0.061 0.000 1.079 44 V HN 0.821 nan 8.190 nan 0.000 0.446 45 R N 1.807 122.247 120.500 -0.100 0.000 2.310 45 R HA 0.516 4.849 4.340 -0.013 0.000 0.316 45 R C 0.146 176.411 176.300 -0.057 0.000 1.004 45 R CA 0.213 56.268 56.100 -0.075 0.000 0.900 45 R CB 0.971 31.228 30.300 -0.072 0.000 1.152 45 R HN 1.158 nan 8.270 nan 0.000 0.513 46 T N 2.032 116.577 114.554 -0.016 0.000 2.906 46 T HA 0.089 4.431 4.350 -0.013 0.000 0.320 46 T C -1.698 173.011 174.700 0.015 0.000 1.088 46 T CA -1.154 60.959 62.100 0.021 0.000 1.120 46 T CB 0.872 69.790 68.868 0.084 0.000 1.000 46 T HN 0.365 nan 8.240 nan 0.000 0.550 47 P HA -0.111 nan 4.420 nan 0.000 0.217 47 P C 1.001 178.336 177.300 0.059 0.000 1.148 47 P CA 1.109 64.230 63.100 0.034 0.000 0.834 47 P CB -0.051 31.700 31.700 0.086 0.000 0.783 48 E N -1.544 118.707 120.200 0.086 0.000 2.515 48 E HA 0.129 4.472 4.350 -0.013 0.000 0.201 48 E C 1.454 178.095 176.600 0.068 0.000 1.071 48 E CA 0.865 57.320 56.400 0.092 0.000 0.880 48 E CB -1.074 28.700 29.700 0.123 0.000 0.828 48 E HN 0.198 nan 8.360 nan 0.000 0.540 49 G N 0.427 109.254 108.800 0.045 0.000 2.136 49 G HA2 -0.267 3.685 3.960 -0.013 0.000 0.242 49 G HA3 -0.267 3.685 3.960 -0.013 0.000 0.242 49 G C -0.170 174.747 174.900 0.029 0.000 0.989 49 G CA -0.071 45.045 45.100 0.027 0.000 0.682 49 G HN 0.191 nan 8.290 nan 0.000 0.522 50 N N 0.814 119.539 118.700 0.042 0.000 2.466 50 N HA 0.448 5.181 4.740 -0.013 0.000 0.294 50 N C -0.170 175.342 175.510 0.003 0.000 1.129 50 N CA -0.432 52.643 53.050 0.042 0.000 0.931 50 N CB 0.966 39.506 38.487 0.088 0.000 1.193 50 N HN 0.245 nan 8.380 nan 0.000 0.500 51 E N 0.973 121.165 120.200 -0.014 0.000 2.229 51 E HA 0.374 4.717 4.350 -0.013 0.000 0.283 51 E C -0.165 176.390 176.600 -0.075 0.000 1.030 51 E CA -0.463 55.897 56.400 -0.066 0.000 0.836 51 E CB 1.156 30.816 29.700 -0.067 0.000 1.068 51 E HN 0.400 nan 8.360 nan 0.000 0.401 52 V N -0.657 119.179 119.914 -0.129 0.000 3.242 52 V HA 0.530 4.642 4.120 -0.013 0.000 0.298 52 V C -1.480 174.525 176.094 -0.148 0.000 1.352 52 V CA -1.353 60.896 62.300 -0.085 0.000 1.052 52 V CB 1.326 33.122 31.823 -0.045 0.000 1.101 52 V HN 0.547 nan 8.190 nan 0.000 0.446 53 W N 1.363 122.653 121.300 -0.016 0.000 2.469 53 W HA 0.827 5.479 4.660 -0.014 0.000 0.320 53 W C -0.424 176.100 176.519 0.007 0.000 1.086 53 W CA -0.560 56.792 57.345 0.012 0.000 1.211 53 W CB 1.579 31.049 29.460 0.017 0.000 1.298 53 W HN 0.508 nan 8.180 nan 0.000 0.525 54 L N 3.915 125.295 121.223 0.263 0.000 2.305 54 L HA 0.470 4.802 4.340 -0.013 0.000 0.284 54 L C -0.498 176.463 176.870 0.151 0.000 1.013 54 L CA -1.188 53.742 54.840 0.150 0.000 0.819 54 L CB 1.173 43.305 42.059 0.121 0.000 1.227 54 L HN 0.041 nan 8.230 nan 0.000 0.417 55 V N 4.854 124.791 119.914 0.039 0.000 2.320 55 V HA 0.251 4.363 4.120 -0.013 0.000 0.265 55 V C 0.342 176.407 176.094 -0.047 0.000 1.048 55 V CA -0.503 61.793 62.300 -0.007 0.000 0.865 55 V CB 1.357 33.121 31.823 -0.099 0.000 1.043 55 V HN 0.558 nan 8.190 nan 0.000 0.474 56 V N 2.029 121.956 119.914 0.021 0.000 3.096 56 V HA 1.098 5.210 4.120 -0.013 0.000 0.319 56 V C 0.291 176.401 176.094 0.026 0.000 1.103 56 V CA -0.288 62.013 62.300 0.002 0.000 1.016 56 V CB 1.404 33.274 31.823 0.077 0.000 1.090 56 V HN 1.585 nan 8.190 nan 0.000 0.449 57 G N 0.375 109.200 108.800 0.041 0.000 3.436 57 G HA2 -0.218 3.735 3.960 -0.013 0.000 0.685 57 G HA3 -0.218 3.735 3.960 -0.013 0.000 0.685 57 G C -0.557 174.380 174.900 0.061 0.000 1.039 57 G CA 0.289 45.436 45.100 0.078 0.000 0.879 57 G HN 1.897 nan 8.290 nan 0.000 0.478 58 Y N 1.897 122.216 120.300 0.033 0.000 2.002 58 Y HA -0.290 4.253 4.550 -0.012 0.000 0.268 58 Y C 2.508 178.416 175.900 0.014 0.000 1.177 58 Y CA 2.812 60.940 58.100 0.046 0.000 1.111 58 Y CB -0.033 38.504 38.460 0.128 0.000 0.952 58 Y HN 0.647 nan 8.280 nan 0.000 0.491 59 D N -0.351 120.140 120.400 0.152 0.000 2.149 59 D HA -0.241 4.391 4.640 -0.013 0.000 0.194 59 D C 2.272 178.503 176.300 -0.114 0.000 1.001 59 D CA 1.872 55.889 54.000 0.028 0.000 0.849 59 D CB -0.380 40.479 40.800 0.098 0.000 0.939 59 D HN 0.241 nan 8.370 nan 0.000 0.449 60 R N 0.853 121.302 120.500 -0.085 0.000 2.075 60 R HA -0.007 4.325 4.340 -0.013 0.000 0.232 60 R C 2.069 178.259 176.300 -0.183 0.000 1.126 60 R CA 1.574 57.610 56.100 -0.107 0.000 0.963 60 R CB -0.724 29.536 30.300 -0.066 0.000 0.858 60 R HN 0.109 nan 8.270 nan 0.000 0.435 61 A N 0.619 123.304 122.820 -0.225 0.000 1.851 61 A HA -0.207 4.105 4.320 -0.013 0.000 0.216 61 A C 2.213 179.623 177.584 -0.289 0.000 1.195 61 A CA 1.762 53.640 52.037 -0.264 0.000 0.622 61 A CB -0.723 18.114 19.000 -0.272 0.000 0.831 61 A HN 0.407 nan 8.150 nan 0.000 0.444 62 R N -0.423 119.832 120.500 -0.407 0.000 2.170 62 R HA -0.140 4.193 4.340 -0.013 0.000 0.242 62 R C 2.114 178.304 176.300 -0.184 0.000 1.145 62 R CA 1.467 57.352 56.100 -0.359 0.000 0.984 62 R CB -0.336 29.629 30.300 -0.559 0.000 0.869 62 R HN 0.490 nan 8.270 nan 0.000 0.455 63 A N 0.012 122.724 122.820 -0.179 0.000 1.855 63 A HA -0.022 4.290 4.320 -0.013 0.000 0.213 63 A C 2.217 179.722 177.584 -0.131 0.000 1.195 63 A CA 1.043 53.020 52.037 -0.100 0.000 0.610 63 A CB -0.521 18.424 19.000 -0.093 0.000 0.837 63 A HN 0.173 nan 8.150 nan 0.000 0.444 64 V N 0.713 120.482 119.914 -0.243 0.000 2.282 64 V HA -0.325 3.787 4.120 -0.013 0.000 0.249 64 V C 2.592 178.458 176.094 -0.380 0.000 1.057 64 V CA 2.113 64.137 62.300 -0.460 0.000 1.032 64 V CB -0.995 30.430 31.823 -0.662 0.000 0.645 64 V HN 0.570 nan 8.190 nan 0.000 0.447 65 L N 0.051 121.132 121.223 -0.237 0.000 2.010 65 L HA -0.304 4.029 4.340 -0.013 0.000 0.219 65 L C 2.564 179.402 176.870 -0.053 0.000 1.077 65 L CA 2.173 56.940 54.840 -0.122 0.000 0.773 65 L CB -0.764 41.287 42.059 -0.013 0.000 0.892 65 L HN 0.429 nan 8.230 nan 0.000 0.436 66 A N -1.735 121.087 122.820 0.002 0.000 2.072 66 A HA -0.097 4.216 4.320 -0.013 0.000 0.216 66 A C 0.913 178.492 177.584 -0.009 0.000 1.156 66 A CA 0.066 52.098 52.037 -0.009 0.000 0.701 66 A CB -0.316 18.694 19.000 0.018 0.000 0.816 66 A HN 0.331 nan 8.150 nan 0.000 0.458 67 D N 1.119 121.510 120.400 -0.015 0.000 2.479 67 D HA 0.013 4.645 4.640 -0.013 0.000 0.257 67 D C -1.180 175.193 176.300 0.123 0.000 1.230 67 D CA -1.351 52.681 54.000 0.054 0.000 0.912 67 D CB 0.950 41.794 40.800 0.074 0.000 1.130 67 D HN 0.201 nan 8.370 nan 0.000 0.515 68 P HA -0.145 nan 4.420 nan 0.000 0.222 68 P C 1.162 178.515 177.300 0.089 0.000 1.147 68 P CA 0.608 63.748 63.100 0.068 0.000 0.790 68 P CB 0.274 31.989 31.700 0.025 0.000 0.780 69 R N -1.197 119.372 120.500 0.116 0.000 2.211 69 R HA -0.067 4.265 4.340 -0.013 0.000 0.240 69 R C 0.265 176.498 176.300 -0.111 0.000 1.144 69 R CA 0.747 56.846 56.100 -0.001 0.000 0.992 69 R CB -0.484 29.799 30.300 -0.028 0.000 0.869 69 R HN 0.246 nan 8.270 nan 0.000 0.462 70 F N 0.120 120.032 119.950 -0.063 0.000 2.361 70 F HA 0.208 4.727 4.527 -0.013 0.000 0.364 70 F C 0.598 176.347 175.800 -0.084 0.000 1.117 70 F CA -0.707 57.243 58.000 -0.083 0.000 1.071 70 F CB 1.400 40.331 39.000 -0.116 0.000 1.188 70 F HN -0.215 nan 8.300 nan 0.000 0.464 71 S N 2.679 118.413 115.700 0.056 0.000 2.632 71 S HA 0.378 4.841 4.470 -0.013 0.000 0.271 71 S C 0.775 175.330 174.600 -0.073 0.000 1.260 71 S CA -0.514 57.708 58.200 0.037 0.000 1.010 71 S CB 0.980 64.226 63.200 0.077 0.000 0.965 71 S HN 0.743 nan 8.310 nan 0.000 0.534 72 K N 0.651 121.001 120.400 -0.084 0.000 2.402 72 K HA 0.166 4.478 4.320 -0.013 0.000 0.204 72 K C -0.505 176.059 176.600 -0.060 0.000 1.056 72 K CA -0.269 55.866 56.287 -0.254 0.000 1.069 72 K CB 0.297 32.610 32.500 -0.312 0.000 0.888 72 K HN 0.568 nan 8.250 nan 0.000 0.546 73 D N 0.090 120.553 120.400 0.105 0.000 2.339 73 D HA -0.020 4.612 4.640 -0.013 0.000 0.256 73 D C 0.296 176.763 176.300 0.278 0.000 1.214 73 D CA -0.278 53.840 54.000 0.196 0.000 0.877 73 D CB 0.444 41.335 40.800 0.152 0.000 1.111 73 D HN 0.058 nan 8.370 nan 0.000 0.478 74 W N 3.428 124.878 121.300 0.249 0.000 2.504 74 W HA -0.099 4.557 4.660 -0.007 0.000 0.257 74 W C 2.109 178.608 176.519 -0.034 0.000 1.225 74 W CA 0.135 57.568 57.345 0.146 0.000 1.205 74 W CB -0.110 29.403 29.460 0.089 0.000 1.137 74 W HN 0.400 nan 8.180 nan 0.000 0.612 75 R N -0.369 120.237 120.500 0.176 0.000 2.189 75 R HA -0.055 4.277 4.340 -0.013 0.000 0.218 75 R C 1.028 177.332 176.300 0.006 0.000 1.074 75 R CA 0.820 56.969 56.100 0.082 0.000 0.991 75 R CB -0.330 30.019 30.300 0.082 0.000 0.883 75 R HN 0.124 nan 8.270 nan 0.000 0.457 76 N N 0.239 118.935 118.700 -0.007 0.000 2.270 76 N HA 0.004 4.736 4.740 -0.013 0.000 0.198 76 N C -0.021 175.337 175.510 -0.253 0.000 1.117 76 N CA 0.191 53.211 53.050 -0.050 0.000 0.845 76 N CB 0.726 39.244 38.487 0.053 0.000 0.980 76 N HN -0.010 nan 8.380 nan 0.000 0.486 77 S N -0.704 114.681 115.700 -0.525 0.000 2.713 77 S HA 0.372 4.834 4.470 -0.013 0.000 0.283 77 S C 1.246 175.609 174.600 -0.396 0.000 1.161 77 S CA -0.359 57.261 58.200 -0.968 0.000 0.999 77 S CB 0.954 63.190 63.200 -1.607 0.000 1.039 77 S HN 0.320 nan 8.310 nan 0.000 0.548 78 T N -1.224 113.139 114.554 -0.318 0.000 3.003 78 T HA 0.251 4.594 4.350 -0.013 0.000 0.261 78 T C 0.174 174.839 174.700 -0.057 0.000 1.003 78 T CA -0.141 61.881 62.100 -0.130 0.000 0.917 78 T CB -0.130 68.686 68.868 -0.087 0.000 1.084 78 T HN 0.470 nan 8.240 nan 0.000 0.522 79 T N 4.785 119.312 114.554 -0.045 0.000 2.910 79 T HA 0.453 4.795 4.350 -0.013 0.000 0.323 79 T C -2.624 172.195 174.700 0.199 0.000 1.091 79 T CA -1.048 61.108 62.100 0.093 0.000 0.960 79 T CB 0.919 69.889 68.868 0.169 0.000 1.024 79 T HN 0.159 nan 8.240 nan 0.000 0.509 80 P HA 0.109 nan 4.420 nan 0.000 0.267 80 P C -0.197 177.109 177.300 0.010 0.000 1.201 80 P CA -0.250 62.892 63.100 0.071 0.000 0.775 80 P CB 0.577 32.292 31.700 0.026 0.000 0.854 81 L N 1.112 122.271 121.223 -0.107 0.000 2.421 81 L HA 0.323 4.655 4.340 -0.013 0.000 0.263 81 L C 1.591 178.362 176.870 -0.166 0.000 1.122 81 L CA -0.489 54.182 54.840 -0.281 0.000 0.804 81 L CB 0.819 42.600 42.059 -0.463 0.000 1.150 81 L HN 0.486 nan 8.230 nan 0.000 0.457 82 T N -2.460 111.991 114.554 -0.172 0.000 2.801 82 T HA 0.021 4.363 4.350 -0.013 0.000 0.324 82 T C 0.896 175.530 174.700 -0.111 0.000 1.088 82 T CA -0.041 61.993 62.100 -0.109 0.000 0.975 82 T CB 0.686 69.498 68.868 -0.093 0.000 1.316 82 T HN 0.739 nan 8.240 nan 0.000 0.533 83 E N -0.101 120.048 120.200 -0.084 0.000 2.051 83 E HA 0.044 4.386 4.350 -0.013 0.000 0.189 83 E C 2.410 178.952 176.600 -0.097 0.000 0.979 83 E CA 0.811 57.165 56.400 -0.076 0.000 0.803 83 E CB -0.647 29.019 29.700 -0.056 0.000 0.761 83 E HN 0.723 nan 8.360 nan 0.000 0.451 84 A N 1.290 124.048 122.820 -0.103 0.000 1.858 84 A HA -0.234 4.078 4.320 -0.013 0.000 0.216 84 A C 1.964 179.443 177.584 -0.174 0.000 1.190 84 A CA 1.769 53.731 52.037 -0.124 0.000 0.617 84 A CB -0.682 18.254 19.000 -0.106 0.000 0.827 84 A HN 0.340 nan 8.150 nan 0.000 0.443 85 E N -0.149 119.931 120.200 -0.201 0.000 2.049 85 E HA -0.208 4.134 4.350 -0.013 0.000 0.198 85 E C 2.162 178.590 176.600 -0.286 0.000 1.007 85 E CA 1.171 57.400 56.400 -0.286 0.000 0.809 85 E CB -0.394 29.097 29.700 -0.347 0.000 0.749 85 E HN 0.601 nan 8.360 nan 0.000 0.450 86 A N 0.934 123.613 122.820 -0.236 0.000 2.234 86 A HA -0.064 4.249 4.320 -0.013 0.000 0.216 86 A C 2.143 179.676 177.584 -0.086 0.000 1.167 86 A CA 1.447 53.381 52.037 -0.172 0.000 0.698 86 A CB -0.399 18.531 19.000 -0.117 0.000 0.779 86 A HN 0.290 nan 8.150 nan 0.000 0.475 87 A N -1.314 121.440 122.820 -0.110 0.000 2.220 87 A HA 0.467 4.780 4.320 -0.013 0.000 0.211 87 A C 1.451 178.984 177.584 -0.084 0.000 1.176 87 A CA 0.463 52.458 52.037 -0.071 0.000 0.834 87 A CB -0.030 18.912 19.000 -0.097 0.000 0.868 87 A HN 0.426 nan 8.150 nan 0.000 0.488 88 L N 0.166 121.287 121.223 -0.170 0.000 3.016 88 L HA 0.138 4.470 4.340 -0.013 0.000 0.267 88 L C 0.887 177.673 176.870 -0.140 0.000 1.182 88 L CA -0.059 54.635 54.840 -0.245 0.000 0.997 88 L CB 0.111 41.797 42.059 -0.620 0.000 1.354 88 L HN 0.461 nan 8.230 nan 0.000 0.569 89 N N -0.588 118.035 118.700 -0.129 0.000 2.484 89 N HA -0.068 4.665 4.740 -0.013 0.000 0.245 89 N C 0.049 175.413 175.510 -0.243 0.000 1.184 89 N CA 0.107 53.062 53.050 -0.157 0.000 0.884 89 N CB -0.079 38.241 38.487 -0.278 0.000 1.182 89 N HN 0.315 nan 8.380 nan 0.000 0.493 90 H N 0.327 119.424 119.070 0.046 0.000 2.551 90 H HA 0.204 4.752 4.556 -0.013 0.000 0.238 90 H C -0.554 174.822 175.328 0.080 0.000 1.345 90 H CA -0.495 55.592 56.048 0.064 0.000 1.105 90 H CB 0.263 30.046 29.762 0.034 0.000 1.805 90 H HN 0.563 nan 8.280 nan 0.000 0.553 91 N N -0.920 117.867 118.700 0.145 0.000 2.545 91 N HA 0.144 4.876 4.740 -0.013 0.000 0.289 91 N C 1.400 176.986 175.510 0.126 0.000 1.279 91 N CA -0.850 52.279 53.050 0.132 0.000 0.824 91 N CB 1.026 39.597 38.487 0.141 0.000 1.395 91 N HN 0.024 nan 8.380 nan 0.000 0.526 92 M N -1.340 118.313 119.600 0.089 0.000 2.296 92 M HA 0.063 4.535 4.480 -0.013 0.000 0.265 92 M C 0.839 177.324 176.300 0.307 0.000 1.064 92 M CA 1.279 56.639 55.300 0.100 0.000 1.109 92 M CB -0.271 32.275 32.600 -0.091 0.000 1.396 92 M HN 0.464 nan 8.290 nan 0.000 0.430 93 L N 1.378 122.729 121.223 0.213 0.000 2.395 93 L HA 0.130 4.462 4.340 -0.013 0.000 0.218 93 L C 0.573 177.502 176.870 0.099 0.000 1.130 93 L CA 1.495 56.449 54.840 0.190 0.000 0.826 93 L CB -0.346 41.755 42.059 0.070 0.000 0.941 93 L HN 0.385 nan 8.230 nan 0.000 0.451 94 E N -0.278 120.020 120.200 0.162 0.000 3.582 94 E HA 0.325 4.667 4.350 -0.013 0.000 0.217 94 E C -0.560 176.152 176.600 0.187 0.000 1.092 94 E CA -0.085 56.417 56.400 0.171 0.000 1.365 94 E CB 0.280 30.133 29.700 0.255 0.000 1.278 94 E HN 0.371 nan 8.360 nan 0.000 0.439 95 S N -0.580 115.255 115.700 0.224 0.000 2.587 95 S HA 0.482 4.945 4.470 -0.013 0.000 0.269 95 S C -1.226 173.541 174.600 0.279 0.000 1.154 95 S CA -1.147 57.184 58.200 0.217 0.000 0.824 95 S CB 2.177 65.495 63.200 0.196 0.000 1.118 95 S HN -0.047 nan 8.310 nan 0.000 0.462 96 D N 0.385 120.905 120.400 0.200 0.000 2.553 96 D HA 0.684 5.317 4.640 -0.013 0.000 0.249 96 D C -2.938 173.439 176.300 0.127 0.000 1.062 96 D CA -1.666 52.426 54.000 0.153 0.000 1.085 96 D CB 0.652 41.514 40.800 0.103 0.000 1.350 96 D HN 0.254 nan 8.370 nan 0.000 0.575 97 P HA 0.126 nan 4.420 nan 0.000 0.269 97 P C -1.548 175.791 177.300 0.065 0.000 1.209 97 P CA -0.626 62.514 63.100 0.068 0.000 0.776 97 P CB 0.350 32.064 31.700 0.023 0.000 0.876 98 P HA 0.023 nan 4.420 nan 0.000 0.230 98 P C 1.450 178.802 177.300 0.086 0.000 1.168 98 P CA 0.696 63.836 63.100 0.067 0.000 0.793 98 P CB 0.360 32.088 31.700 0.048 0.000 0.851 99 R N 0.058 120.616 120.500 0.097 0.000 2.113 99 R HA -0.236 4.096 4.340 -0.013 0.000 0.244 99 R C 2.581 178.946 176.300 0.109 0.000 1.142 99 R CA 1.802 57.963 56.100 0.102 0.000 0.953 99 R CB -0.991 29.383 30.300 0.122 0.000 0.860 99 R HN 0.294 nan 8.270 nan 0.000 0.438 100 H N 0.107 119.202 119.070 0.040 0.000 2.290 100 H HA -0.099 4.449 4.556 -0.013 0.000 0.298 100 H C 1.503 176.818 175.328 -0.021 0.000 1.087 100 H CA 2.338 58.392 56.048 0.010 0.000 1.291 100 H CB -0.367 29.369 29.762 -0.044 0.000 1.369 100 H HN 0.223 nan 8.280 nan 0.000 0.492 101 T N 1.359 116.021 114.554 0.180 0.000 2.624 101 T HA -0.233 4.110 4.350 -0.013 0.000 0.268 101 T C 2.189 176.876 174.700 -0.022 0.000 1.041 101 T CA 1.973 64.128 62.100 0.091 0.000 1.159 101 T CB -0.336 68.587 68.868 0.091 0.000 0.863 101 T HN 0.375 nan 8.240 nan 0.000 0.434 102 R N 0.700 121.200 120.500 -0.001 0.000 2.080 102 R HA -0.040 4.293 4.340 -0.013 0.000 0.236 102 R C 2.504 178.784 176.300 -0.032 0.000 1.137 102 R CA 1.307 57.403 56.100 -0.006 0.000 0.943 102 R CB -0.489 29.821 30.300 0.016 0.000 0.846 102 R HN 0.380 nan 8.270 nan 0.000 0.431 103 L N 0.035 121.227 121.223 -0.052 0.000 2.017 103 L HA -0.176 4.157 4.340 -0.013 0.000 0.208 103 L C 2.900 179.711 176.870 -0.099 0.000 1.073 103 L CA 1.789 56.594 54.840 -0.059 0.000 0.745 103 L CB -0.517 41.513 42.059 -0.048 0.000 0.894 103 L HN 0.277 nan 8.230 nan 0.000 0.432 104 R N 0.711 121.085 120.500 -0.210 0.000 2.115 104 R HA -0.155 4.178 4.340 -0.013 0.000 0.230 104 R C 2.256 178.505 176.300 -0.085 0.000 1.111 104 R CA 1.216 57.197 56.100 -0.199 0.000 0.976 104 R CB -0.015 30.061 30.300 -0.374 0.000 0.870 104 R HN 0.195 nan 8.270 nan 0.000 0.445 105 K N -0.013 120.346 120.400 -0.067 0.000 2.160 105 K HA -0.158 4.155 4.320 -0.013 0.000 0.206 105 K C 1.792 178.392 176.600 -0.000 0.000 1.047 105 K CA 1.129 57.403 56.287 -0.021 0.000 0.930 105 K CB -0.083 32.409 32.500 -0.013 0.000 0.720 105 K HN 0.093 nan 8.250 nan 0.000 0.450 106 L N -0.095 121.127 121.223 -0.002 0.000 2.017 106 L HA -0.148 4.184 4.340 -0.013 0.000 0.208 106 L C 2.054 178.950 176.870 0.043 0.000 1.073 106 L CA 1.621 56.471 54.840 0.017 0.000 0.745 106 L CB -0.600 41.468 42.059 0.015 0.000 0.894 106 L HN 0.120 nan 8.230 nan 0.000 0.432 107 V N -4.895 115.060 119.914 0.069 0.000 3.528 107 V HA 0.426 4.539 4.120 -0.013 0.000 0.294 107 V C 2.072 178.299 176.094 0.222 0.000 1.404 107 V CA 0.384 62.781 62.300 0.162 0.000 1.065 107 V CB -0.578 31.395 31.823 0.249 0.000 0.904 107 V HN 0.169 nan 8.190 nan 0.000 0.435 108 A N 2.950 125.839 122.820 0.115 0.000 1.940 108 A HA -0.205 4.108 4.320 -0.013 0.000 0.219 108 A C 2.328 179.994 177.584 0.136 0.000 1.176 108 A CA 2.271 54.375 52.037 0.112 0.000 0.631 108 A CB -0.489 18.539 19.000 0.046 0.000 0.814 108 A HN 0.808 nan 8.150 nan 0.000 0.446 109 R N -0.775 119.778 120.500 0.088 0.000 2.313 109 R HA 0.104 4.436 4.340 -0.013 0.000 0.199 109 R C 0.576 176.882 176.300 0.010 0.000 0.958 109 R CA 0.885 57.013 56.100 0.047 0.000 1.047 109 R CB -0.066 30.245 30.300 0.018 0.000 0.955 109 R HN 0.400 nan 8.270 nan 0.000 0.481 110 E N 0.494 120.700 120.200 0.012 0.000 2.447 110 E HA 0.021 4.363 4.350 -0.013 0.000 0.195 110 E C -0.124 176.166 176.600 -0.517 0.000 1.028 110 E CA 0.489 56.731 56.400 -0.262 0.000 0.876 110 E CB 0.269 29.740 29.700 -0.382 0.000 0.885 110 E HN 0.406 nan 8.360 nan 0.000 0.500 111 F N 0.808 120.746 119.950 -0.020 0.000 2.814 111 F HA 0.109 4.628 4.527 -0.013 0.000 0.326 111 F C 0.713 176.501 175.800 -0.020 0.000 1.159 111 F CA -0.589 57.395 58.000 -0.026 0.000 1.234 111 F CB 0.166 39.143 39.000 -0.037 0.000 1.016 111 F HN -0.262 nan 8.300 nan 0.000 0.510 112 T N -3.030 111.587 114.554 0.105 0.000 2.868 112 T HA 0.249 4.591 4.350 -0.013 0.000 0.292 112 T C 1.490 176.219 174.700 0.047 0.000 1.028 112 T CA -0.562 61.582 62.100 0.073 0.000 1.059 112 T CB 1.314 70.209 68.868 0.046 0.000 0.991 112 T HN 0.198 nan 8.240 nan 0.000 0.531 113 M N 0.342 119.968 119.600 0.044 0.000 2.073 113 M HA -0.125 4.347 4.480 -0.013 0.000 0.258 113 M C 2.757 179.067 176.300 0.017 0.000 1.070 113 M CA 1.877 57.196 55.300 0.032 0.000 1.103 113 M CB -0.491 32.130 32.600 0.035 0.000 1.321 113 M HN 0.739 nan 8.290 nan 0.000 0.405 114 R N 0.040 120.549 120.500 0.014 0.000 2.162 114 R HA -0.283 4.049 4.340 -0.013 0.000 0.245 114 R C 2.281 178.576 176.300 -0.009 0.000 1.129 114 R CA 2.465 58.567 56.100 0.003 0.000 0.940 114 R CB -0.242 30.060 30.300 0.003 0.000 0.875 114 R HN 0.142 nan 8.270 nan 0.000 0.437 115 R N -0.108 120.382 120.500 -0.017 0.000 2.057 115 R HA -0.044 4.288 4.340 -0.013 0.000 0.229 115 R C 2.182 178.451 176.300 -0.051 0.000 1.136 115 R CA 1.582 57.656 56.100 -0.043 0.000 0.952 115 R CB -0.702 29.557 30.300 -0.068 0.000 0.848 115 R HN 0.146 nan 8.270 nan 0.000 0.430 116 V N 1.201 121.092 119.914 -0.039 0.000 2.324 116 V HA -0.261 3.851 4.120 -0.013 0.000 0.250 116 V C 2.201 178.283 176.094 -0.021 0.000 1.060 116 V CA 2.275 64.556 62.300 -0.032 0.000 1.042 116 V CB -0.614 31.214 31.823 0.009 0.000 0.650 116 V HN 0.436 nan 8.190 nan 0.000 0.450 117 E N 0.306 120.500 120.200 -0.010 0.000 2.219 117 E HA -0.209 4.133 4.350 -0.013 0.000 0.198 117 E C 1.790 178.381 176.600 -0.014 0.000 0.998 117 E CA 1.276 57.672 56.400 -0.006 0.000 0.818 117 E CB -0.418 29.281 29.700 -0.000 0.000 0.741 117 E HN 0.633 nan 8.360 nan 0.000 0.477 118 L N 0.103 121.312 121.223 -0.023 0.000 2.622 118 L HA -0.014 4.318 4.340 -0.013 0.000 0.233 118 L C 1.695 178.547 176.870 -0.030 0.000 1.156 118 L CA 0.226 55.051 54.840 -0.026 0.000 0.866 118 L CB -0.109 41.931 42.059 -0.032 0.000 0.980 118 L HN 0.239 nan 8.230 nan 0.000 0.448 119 L N -1.200 120.005 121.223 -0.031 0.000 2.556 119 L HA 0.043 4.375 4.340 -0.013 0.000 0.226 119 L C 2.518 179.375 176.870 -0.022 0.000 1.089 119 L CA 0.091 54.912 54.840 -0.032 0.000 0.864 119 L CB -0.117 41.918 42.059 -0.040 0.000 1.067 119 L HN 0.219 nan 8.230 nan 0.000 0.477 120 R N 1.348 121.839 120.500 -0.015 0.000 2.159 120 R HA -0.243 4.089 4.340 -0.013 0.000 0.249 120 R C -0.619 175.674 176.300 -0.012 0.000 1.136 120 R CA 2.416 58.510 56.100 -0.010 0.000 0.951 120 R CB -1.237 29.060 30.300 -0.005 0.000 0.876 120 R HN 0.181 nan 8.270 nan 0.000 0.440 121 P HA -0.192 nan 4.420 nan 0.000 0.216 121 P C 0.759 178.050 177.300 -0.015 0.000 1.153 121 P CA 1.524 64.616 63.100 -0.013 0.000 0.858 121 P CB -0.096 31.596 31.700 -0.013 0.000 0.789 122 R N -0.094 120.395 120.500 -0.018 0.000 2.073 122 R HA -0.054 4.278 4.340 -0.013 0.000 0.229 122 R C 1.900 178.187 176.300 -0.022 0.000 1.120 122 R CA 1.517 57.605 56.100 -0.021 0.000 0.967 122 R CB -1.494 28.791 30.300 -0.025 0.000 0.862 122 R HN -0.014 nan 8.270 nan 0.000 0.436 123 V N 0.964 120.866 119.914 -0.021 0.000 2.295 123 V HA -0.240 3.872 4.120 -0.013 0.000 0.246 123 V C 2.378 178.460 176.094 -0.019 0.000 1.049 123 V CA 2.144 64.432 62.300 -0.020 0.000 1.024 123 V CB -0.815 31.000 31.823 -0.014 0.000 0.648 123 V HN 0.346 nan 8.190 nan 0.000 0.447 124 Q N 0.707 120.498 119.800 -0.015 0.000 2.061 124 Q HA -0.255 4.078 4.340 -0.013 0.000 0.204 124 Q C 2.218 178.207 176.000 -0.018 0.000 0.984 124 Q CA 2.450 58.245 55.803 -0.015 0.000 0.846 124 Q CB -0.475 28.256 28.738 -0.012 0.000 0.902 124 Q HN 0.736 nan 8.270 nan 0.000 0.421 125 E N -0.486 119.704 120.200 -0.017 0.000 2.038 125 E HA -0.203 4.140 4.350 -0.013 0.000 0.195 125 E C 1.996 178.584 176.600 -0.020 0.000 1.000 125 E CA 1.591 57.981 56.400 -0.017 0.000 0.803 125 E CB -0.289 29.402 29.700 -0.016 0.000 0.750 125 E HN 0.521 nan 8.360 nan 0.000 0.448 126 I N 0.542 121.099 120.570 -0.023 0.000 2.163 126 I HA -0.296 3.866 4.170 -0.013 0.000 0.243 126 I C 2.443 178.543 176.117 -0.029 0.000 1.085 126 I CA 0.956 62.239 61.300 -0.027 0.000 1.347 126 I CB -0.337 37.642 38.000 -0.034 0.000 1.044 126 I HN 0.109 nan 8.210 nan 0.000 0.408 127 V N 0.726 120.622 119.914 -0.029 0.000 2.261 127 V HA -0.317 3.796 4.120 -0.013 0.000 0.246 127 V C 2.190 178.263 176.094 -0.034 0.000 1.047 127 V CA 2.086 64.367 62.300 -0.031 0.000 1.015 127 V CB -0.745 31.062 31.823 -0.027 0.000 0.642 127 V HN 0.397 nan 8.190 nan 0.000 0.446 128 D N 0.670 121.052 120.400 -0.031 0.000 2.154 128 D HA -0.215 4.417 4.640 -0.013 0.000 0.190 128 D C 2.150 178.430 176.300 -0.033 0.000 1.003 128 D CA 2.102 56.083 54.000 -0.033 0.000 0.849 128 D CB -0.776 40.009 40.800 -0.026 0.000 0.942 128 D HN 0.487 nan 8.370 nan 0.000 0.446 129 G N 0.792 109.577 108.800 -0.024 0.000 2.480 129 G HA2 -0.229 3.723 3.960 -0.013 0.000 0.216 129 G HA3 -0.229 3.723 3.960 -0.013 0.000 0.216 129 G C 1.920 176.808 174.900 -0.020 0.000 1.200 129 G CA 0.691 45.780 45.100 -0.019 0.000 0.782 129 G HN 0.278 nan 8.290 nan 0.000 0.554 130 L N 0.161 121.371 121.223 -0.021 0.000 2.051 130 L HA -0.192 4.141 4.340 -0.013 0.000 0.214 130 L C 3.028 179.878 176.870 -0.034 0.000 1.076 130 L CA 0.957 55.786 54.840 -0.017 0.000 0.758 130 L CB -0.533 41.514 42.059 -0.020 0.000 0.890 130 L HN 0.134 nan 8.230 nan 0.000 0.433 131 V N -0.605 119.274 119.914 -0.058 0.000 2.358 131 V HA -0.257 3.856 4.120 -0.013 0.000 0.246 131 V C 2.122 178.149 176.094 -0.111 0.000 1.047 131 V CA 1.762 63.999 62.300 -0.106 0.000 1.035 131 V CB -0.559 31.194 31.823 -0.117 0.000 0.658 131 V HN 0.440 nan 8.190 nan 0.000 0.452 132 D N 1.088 121.447 120.400 -0.067 0.000 2.087 132 D HA -0.183 4.449 4.640 -0.013 0.000 0.192 132 D C 2.263 178.550 176.300 -0.022 0.000 0.993 132 D CA 1.914 55.886 54.000 -0.046 0.000 0.828 132 D CB -0.544 40.242 40.800 -0.024 0.000 0.968 132 D HN 0.428 nan 8.370 nan 0.000 0.448 133 A N 0.890 123.708 122.820 -0.005 0.000 2.032 133 A HA -0.196 4.117 4.320 -0.013 0.000 0.221 133 A C 2.166 179.776 177.584 0.042 0.000 1.165 133 A CA 1.756 53.807 52.037 0.023 0.000 0.645 133 A CB -0.651 18.365 19.000 0.027 0.000 0.807 133 A HN 0.272 nan 8.150 nan 0.000 0.453 134 M N -0.798 118.805 119.600 0.004 0.000 2.236 134 M HA 0.047 4.519 4.480 -0.013 0.000 0.266 134 M C 1.559 177.891 176.300 0.052 0.000 1.070 134 M CA 1.316 56.630 55.300 0.022 0.000 1.137 134 M CB -0.151 32.397 32.600 -0.087 0.000 1.378 134 M HN 0.376 nan 8.290 nan 0.000 0.426 135 L N 0.306 121.474 121.223 -0.093 0.000 2.456 135 L HA -0.072 4.261 4.340 -0.013 0.000 0.224 135 L C 2.551 179.560 176.870 0.232 0.000 1.148 135 L CA 0.526 55.346 54.840 -0.033 0.000 0.825 135 L CB -0.844 41.121 42.059 -0.157 0.000 0.937 135 L HN 0.389 nan 8.230 nan 0.000 0.450 136 A N 0.537 123.456 122.820 0.167 0.000 2.015 136 A HA 0.063 4.375 4.320 -0.013 0.000 0.219 136 A C 1.538 179.229 177.584 0.179 0.000 1.163 136 A CA 0.755 52.880 52.037 0.145 0.000 0.646 136 A CB -0.446 18.610 19.000 0.093 0.000 0.806 136 A HN 0.320 nan 8.150 nan 0.000 0.448 137 A N 0.629 123.603 122.820 0.258 0.000 2.573 137 A HA 0.326 4.639 4.320 -0.013 0.000 0.250 137 A C -0.824 176.818 177.584 0.097 0.000 1.049 137 A CA -0.327 51.814 52.037 0.173 0.000 0.767 137 A CB -0.177 18.941 19.000 0.197 0.000 0.965 137 A HN 0.291 nan 8.150 nan 0.000 0.514 138 P HA -0.172 nan 4.420 nan 0.000 0.214 138 P C 0.927 178.184 177.300 -0.072 0.000 1.163 138 P CA 1.536 64.635 63.100 -0.002 0.000 0.883 138 P CB 0.033 31.730 31.700 -0.006 0.000 0.788 139 D N -1.292 119.032 120.400 -0.126 0.000 2.378 139 D HA -0.018 4.614 4.640 -0.013 0.000 0.227 139 D C 1.144 177.216 176.300 -0.380 0.000 1.012 139 D CA 0.999 54.883 54.000 -0.194 0.000 0.905 139 D CB -1.033 39.667 40.800 -0.167 0.000 0.895 139 D HN 0.242 nan 8.370 nan 0.000 0.532 140 G N 0.780 109.262 108.800 -0.530 0.000 2.246 140 G HA2 -0.314 3.639 3.960 -0.013 0.000 0.273 140 G HA3 -0.314 3.639 3.960 -0.013 0.000 0.273 140 G C -0.101 173.651 174.900 -1.913 0.000 1.055 140 G CA 0.038 44.331 45.100 -1.347 0.000 0.851 140 G HN 0.486 nan 8.290 nan 0.000 0.500 141 R N -0.793 118.999 120.500 -1.181 0.000 2.673 141 R HA 0.836 5.168 4.340 -0.013 0.000 0.281 141 R C -0.054 176.084 176.300 -0.270 0.000 0.991 141 R CA 0.015 55.684 56.100 -0.718 0.000 0.896 141 R CB 2.184 32.272 30.300 -0.353 0.000 1.201 141 R HN 1.014 nan 8.270 nan 0.000 0.457 142 A N 1.035 123.883 122.820 0.047 0.000 2.536 142 A HA 0.404 4.716 4.320 -0.013 0.000 0.293 142 A C -1.921 175.766 177.584 0.171 0.000 1.119 142 A CA -0.754 51.404 52.037 0.201 0.000 0.654 142 A CB 1.720 20.976 19.000 0.426 0.000 1.291 142 A HN 0.679 nan 8.150 nan 0.000 0.439 143 D N 0.106 120.584 120.400 0.130 0.000 2.427 143 D HA 0.399 5.032 4.640 -0.013 0.000 0.226 143 D C 0.840 177.200 176.300 0.100 0.000 1.076 143 D CA -0.545 53.508 54.000 0.088 0.000 0.849 143 D CB 0.924 41.751 40.800 0.045 0.000 1.052 143 D HN 0.394 nan 8.370 nan 0.000 0.515 144 L N 4.533 125.817 121.223 0.102 0.000 2.129 144 L HA -0.121 4.212 4.340 -0.013 0.000 0.212 144 L C 1.814 178.733 176.870 0.082 0.000 1.087 144 L CA 1.771 56.663 54.840 0.087 0.000 0.757 144 L CB -0.718 41.389 42.059 0.079 0.000 0.896 144 L HN 0.680 nan 8.230 nan 0.000 0.434 145 M N -0.354 119.289 119.600 0.071 0.000 2.065 145 M HA -0.237 4.236 4.480 -0.013 0.000 0.259 145 M C 2.229 178.617 176.300 0.148 0.000 1.069 145 M CA 2.175 57.528 55.300 0.088 0.000 1.110 145 M CB -0.593 32.035 32.600 0.046 0.000 1.328 145 M HN 0.446 nan 8.290 nan 0.000 0.405 146 E N -1.484 118.788 120.200 0.120 0.000 2.299 146 E HA -0.047 4.295 4.350 -0.013 0.000 0.193 146 E C 1.436 178.146 176.600 0.184 0.000 0.998 146 E CA 0.932 57.423 56.400 0.152 0.000 0.851 146 E CB 0.133 29.875 29.700 0.071 0.000 0.795 146 E HN 0.546 nan 8.360 nan 0.000 0.492 147 S N 0.100 115.879 115.700 0.132 0.000 2.470 147 S HA 0.032 4.495 4.470 -0.013 0.000 0.225 147 S C 1.303 175.950 174.600 0.077 0.000 1.006 147 S CA 0.414 58.676 58.200 0.105 0.000 0.934 147 S CB 0.381 63.634 63.200 0.087 0.000 0.778 147 S HN 0.231 nan 8.310 nan 0.000 0.517 148 L N -0.535 120.737 121.223 0.081 0.000 2.186 148 L HA 0.503 4.836 4.340 -0.013 0.000 0.182 148 L C 1.906 178.796 176.870 0.032 0.000 1.190 148 L CA 0.939 55.801 54.840 0.036 0.000 1.051 148 L CB -1.102 40.964 42.059 0.012 0.000 2.162 148 L HN 0.032 nan 8.230 nan 0.000 0.494 149 A N 0.629 123.487 122.820 0.063 0.000 1.884 149 A HA -0.306 4.007 4.320 -0.013 0.000 0.219 149 A C 2.121 179.736 177.584 0.052 0.000 1.197 149 A CA 2.581 54.654 52.037 0.060 0.000 0.637 149 A CB -1.534 17.519 19.000 0.088 0.000 0.827 149 A HN 0.779 nan 8.150 nan 0.000 0.450 150 W N 0.974 122.266 121.300 -0.014 0.000 2.409 150 W HA -0.026 4.625 4.660 -0.014 0.000 0.299 150 W C -1.439 175.072 176.519 -0.013 0.000 1.203 150 W CA 1.625 58.952 57.345 -0.030 0.000 1.298 150 W CB -1.535 27.930 29.460 0.009 0.000 1.127 150 W HN 0.272 nan 8.180 nan 0.000 0.528 151 P HA -0.200 nan 4.420 nan 0.000 0.213 151 P C 2.074 179.151 177.300 -0.371 0.000 1.170 151 P CA 1.849 64.647 63.100 -0.502 0.000 0.893 151 P CB -0.462 31.190 31.700 -0.080 0.000 0.784 152 L N 0.119 121.217 121.223 -0.207 0.000 1.991 152 L HA -0.164 4.168 4.340 -0.013 0.000 0.221 152 L C -0.894 175.873 176.870 -0.172 0.000 1.079 152 L CA 3.032 57.785 54.840 -0.146 0.000 0.778 152 L CB -2.301 39.708 42.059 -0.084 0.000 0.893 152 L HN 0.027 nan 8.230 nan 0.000 0.437 153 P HA -0.164 nan 4.420 nan 0.000 0.212 153 P C 1.999 179.182 177.300 -0.196 0.000 1.180 153 P CA 1.422 64.415 63.100 -0.178 0.000 0.906 153 P CB -0.202 31.375 31.700 -0.204 0.000 0.782 154 I N -0.959 119.413 120.570 -0.331 0.000 2.300 154 I HA -0.274 3.888 4.170 -0.013 0.000 0.252 154 I C 1.597 177.575 176.117 -0.231 0.000 1.119 154 I CA 2.071 63.203 61.300 -0.281 0.000 1.384 154 I CB -1.067 36.583 38.000 -0.582 0.000 1.062 154 I HN -0.049 nan 8.210 nan 0.000 0.426 155 T N -0.570 113.852 114.554 -0.219 0.000 2.684 155 T HA -0.085 4.258 4.350 -0.013 0.000 0.253 155 T C 1.961 176.604 174.700 -0.096 0.000 1.057 155 T CA 1.649 63.666 62.100 -0.137 0.000 1.162 155 T CB -0.616 68.183 68.868 -0.114 0.000 0.868 155 T HN 0.154 nan 8.240 nan 0.000 0.409 156 V N 1.564 121.428 119.914 -0.084 0.000 2.313 156 V HA -0.203 3.910 4.120 -0.013 0.000 0.253 156 V C 2.378 178.447 176.094 -0.043 0.000 1.070 156 V CA 1.657 63.925 62.300 -0.054 0.000 1.057 156 V CB -0.620 31.178 31.823 -0.042 0.000 0.653 156 V HN 0.369 nan 8.190 nan 0.000 0.450 157 I N -0.555 119.986 120.570 -0.048 0.000 2.333 157 I HA -0.107 4.055 4.170 -0.013 0.000 0.246 157 I C 2.469 178.555 176.117 -0.052 0.000 1.106 157 I CA 1.523 62.807 61.300 -0.027 0.000 1.411 157 I CB -0.273 37.715 38.000 -0.020 0.000 1.082 157 I HN 0.173 nan 8.210 nan 0.000 0.420 158 S N 0.545 116.190 115.700 -0.093 0.000 2.382 158 S HA -0.180 4.282 4.470 -0.013 0.000 0.228 158 S C 1.820 176.397 174.600 -0.039 0.000 1.027 158 S CA 1.400 59.547 58.200 -0.087 0.000 0.991 158 S CB -0.375 62.761 63.200 -0.106 0.000 0.823 158 S HN 0.543 nan 8.310 nan 0.000 0.469 159 E N 0.991 121.168 120.200 -0.039 0.000 2.077 159 E HA -0.113 4.229 4.350 -0.013 0.000 0.193 159 E C 2.095 178.679 176.600 -0.026 0.000 0.989 159 E CA 0.882 57.265 56.400 -0.027 0.000 0.800 159 E CB -0.361 29.320 29.700 -0.032 0.000 0.746 159 E HN 0.440 nan 8.360 nan 0.000 0.452 160 L N 0.320 121.524 121.223 -0.032 0.000 1.989 160 L HA -0.223 4.109 4.340 -0.013 0.000 0.211 160 L C 2.321 179.179 176.870 -0.019 0.000 1.071 160 L CA 0.927 55.743 54.840 -0.040 0.000 0.749 160 L CB -0.312 41.721 42.059 -0.044 0.000 0.890 160 L HN 0.136 nan 8.230 nan 0.000 0.431 161 L N -0.402 120.822 121.223 0.003 0.000 2.492 161 L HA 0.142 4.474 4.340 -0.013 0.000 0.223 161 L C 1.258 178.143 176.870 0.025 0.000 1.132 161 L CA 0.939 55.793 54.840 0.023 0.000 0.850 161 L CB -0.853 41.230 42.059 0.040 0.000 0.966 161 L HN 0.388 nan 8.230 nan 0.000 0.454 162 G N 0.099 108.908 108.800 0.016 0.000 2.341 162 G HA2 -0.196 3.757 3.960 -0.013 0.000 0.278 162 G HA3 -0.196 3.757 3.960 -0.013 0.000 0.278 162 G C -0.153 174.783 174.900 0.060 0.000 1.111 162 G CA 0.035 45.152 45.100 0.028 0.000 0.982 162 G HN 0.063 nan 8.290 nan 0.000 0.502 163 V N 1.443 121.396 119.914 0.064 0.000 2.348 163 V HA 0.335 4.447 4.120 -0.013 0.000 0.270 163 V C -1.390 174.777 176.094 0.121 0.000 1.037 163 V CA -1.631 60.750 62.300 0.136 0.000 0.872 163 V CB 1.473 33.360 31.823 0.106 0.000 1.002 163 V HN 0.259 nan 8.190 nan 0.000 0.464 164 P HA -0.069 nan 4.420 nan 0.000 0.257 164 P C 1.068 178.430 177.300 0.104 0.000 1.162 164 P CA 0.469 63.642 63.100 0.122 0.000 0.762 164 P CB 0.521 32.312 31.700 0.153 0.000 0.753 165 E N 7.415 127.654 120.200 0.066 0.000 2.149 165 E HA -0.240 4.102 4.350 -0.013 0.000 0.215 165 E C -0.745 175.891 176.600 0.060 0.000 1.055 165 E CA 2.626 59.057 56.400 0.052 0.000 0.870 165 E CB -1.599 28.124 29.700 0.039 0.000 0.764 165 E HN 0.397 nan 8.360 nan 0.000 0.463 166 P HA -0.133 nan 4.420 nan 0.000 0.215 166 P C 0.757 178.075 177.300 0.030 0.000 1.153 166 P CA 1.584 64.710 63.100 0.042 0.000 0.853 166 P CB -0.273 31.451 31.700 0.039 0.000 0.788 167 D N -0.262 120.170 120.400 0.054 0.000 2.354 167 D HA -0.114 4.518 4.640 -0.013 0.000 0.216 167 D C 2.106 178.437 176.300 0.052 0.000 0.970 167 D CA 0.648 54.646 54.000 -0.004 0.000 0.905 167 D CB -0.476 40.403 40.800 0.132 0.000 0.903 167 D HN 0.314 nan 8.370 nan 0.000 0.508 168 R N 0.765 121.340 120.500 0.125 0.000 2.066 168 R HA 0.013 4.346 4.340 -0.013 0.000 0.232 168 R C 2.347 178.808 176.300 0.267 0.000 1.131 168 R CA 1.213 57.434 56.100 0.201 0.000 0.955 168 R CB -0.402 29.952 30.300 0.091 0.000 0.851 168 R HN 0.120 nan 8.270 nan 0.000 0.432 169 A N 1.853 124.769 122.820 0.161 0.000 1.927 169 A HA -0.228 4.085 4.320 -0.013 0.000 0.220 169 A C 2.446 179.975 177.584 -0.091 0.000 1.185 169 A CA 1.973 54.083 52.037 0.123 0.000 0.639 169 A CB -0.888 18.122 19.000 0.016 0.000 0.820 169 A HN 0.432 nan 8.150 nan 0.000 0.451 170 A N -1.582 121.047 122.820 -0.318 0.000 2.093 170 A HA -0.117 4.195 4.320 -0.013 0.000 0.222 170 A C 1.880 178.754 177.584 -1.183 0.000 1.162 170 A CA 1.738 53.246 52.037 -0.880 0.000 0.655 170 A CB -0.782 17.549 19.000 -1.115 0.000 0.805 170 A HN 0.513 nan 8.150 nan 0.000 0.461 171 F N -0.757 118.891 119.950 -0.503 0.000 2.084 171 F HA -0.077 4.443 4.527 -0.011 0.000 0.296 171 F C 2.433 178.184 175.800 -0.082 0.000 1.111 171 F CA 1.819 59.730 58.000 -0.150 0.000 1.224 171 F CB -0.425 38.572 39.000 -0.005 0.000 0.991 171 F HN 0.159 nan 8.300 nan 0.000 0.471 172 R N 0.391 121.025 120.500 0.223 0.000 2.117 172 R HA -0.184 4.149 4.340 -0.013 0.000 0.243 172 R C 2.054 178.257 176.300 -0.162 0.000 1.143 172 R CA 1.740 57.863 56.100 0.038 0.000 0.968 172 R CB -0.593 29.359 30.300 -0.579 0.000 0.863 172 R HN 0.170 nan 8.270 nan 0.000 0.444 173 V N -0.299 119.418 119.914 -0.328 0.000 2.332 173 V HA -0.275 3.837 4.120 -0.013 0.000 0.248 173 V C 2.063 177.954 176.094 -0.339 0.000 1.055 173 V CA 1.767 63.836 62.300 -0.386 0.000 1.038 173 V CB -0.576 30.912 31.823 -0.559 0.000 0.651 173 V HN 0.463 nan 8.190 nan 0.000 0.450 174 W N -0.064 121.024 121.300 -0.354 0.000 2.480 174 W HA -0.007 4.649 4.660 -0.006 0.000 0.299 174 W C 2.660 178.708 176.519 -0.785 0.000 1.187 174 W CA 1.246 58.183 57.345 -0.680 0.000 1.347 174 W CB -1.802 27.273 29.460 -0.642 0.000 1.121 174 W HN 0.209 nan 8.180 nan 0.000 0.533 175 T N 0.790 115.344 114.554 0.000 0.000 2.778 175 T HA -0.185 4.157 4.350 -0.013 0.000 0.269 175 T C 1.156 175.826 174.700 -0.049 0.000 1.050 175 T CA 1.958 64.190 62.100 0.220 0.000 1.137 175 T CB -0.282 68.826 68.868 0.399 0.000 0.860 175 T HN 0.024 nan 8.240 nan 0.000 0.468 176 D N 0.772 121.000 120.400 -0.287 0.000 2.162 176 D HA 0.105 4.738 4.640 -0.013 0.000 0.203 176 D C 2.343 178.064 176.300 -0.965 0.000 0.967 176 D CA 0.949 54.452 54.000 -0.827 0.000 0.840 176 D CB -0.284 40.204 40.800 -0.520 0.000 0.972 176 D HN 0.411 nan 8.370 nan 0.000 0.482 177 A N 0.159 122.660 122.820 -0.531 0.000 1.969 177 A HA -0.079 4.233 4.320 -0.013 0.000 0.218 177 A C 2.060 179.518 177.584 -0.210 0.000 1.169 177 A CA 0.686 52.505 52.037 -0.364 0.000 0.635 177 A CB -0.911 17.908 19.000 -0.301 0.000 0.810 177 A HN 0.175 nan 8.150 nan 0.000 0.445 178 F N -0.573 119.292 119.950 -0.142 0.000 2.146 178 F HA -0.157 4.361 4.527 -0.015 0.000 0.298 178 F C 2.370 178.113 175.800 -0.095 0.000 1.096 178 F CA 0.970 58.926 58.000 -0.073 0.000 1.275 178 F CB -0.138 38.856 39.000 -0.009 0.000 1.008 178 F HN 0.047 nan 8.300 nan 0.000 0.480 179 V N -0.165 119.736 119.914 -0.021 0.000 2.231 179 V HA -0.213 3.900 4.120 -0.013 0.000 0.240 179 V C 0.537 176.646 176.094 0.026 0.000 1.039 179 V CA 1.463 63.740 62.300 -0.038 0.000 0.998 179 V CB -0.604 31.153 31.823 -0.109 0.000 0.639 179 V HN 0.309 nan 8.190 nan 0.000 0.451 180 F N 1.185 121.151 119.950 0.028 0.000 2.438 180 F HA 0.588 5.109 4.527 -0.011 0.000 0.315 180 F C -2.432 173.416 175.800 0.079 0.000 1.258 180 F CA -3.309 54.738 58.000 0.078 0.000 1.180 180 F CB -0.886 38.174 39.000 0.101 0.000 1.412 180 F HN 0.068 nan 8.300 nan 0.000 0.544 181 P HA 0.023 nan 4.420 nan 0.000 0.268 181 P C -0.002 177.367 177.300 0.115 0.000 1.205 181 P CA 0.093 63.225 63.100 0.053 0.000 0.771 181 P CB 1.487 33.220 31.700 0.055 0.000 0.858 182 D N 0.628 121.083 120.400 0.092 0.000 2.144 182 D HA -0.093 4.539 4.640 -0.013 0.000 0.199 182 D C 0.743 177.089 176.300 0.076 0.000 0.984 182 D CA 1.757 55.813 54.000 0.094 0.000 0.834 182 D CB 0.158 40.999 40.800 0.068 0.000 0.955 182 D HN 0.622 nan 8.370 nan 0.000 0.465 183 D N -3.072 117.365 120.400 0.062 0.000 2.639 183 D HA 0.102 4.734 4.640 -0.013 0.000 0.271 183 D C -2.439 173.893 176.300 0.052 0.000 1.254 183 D CA -1.239 52.795 54.000 0.055 0.000 0.810 183 D CB 1.325 42.150 40.800 0.042 0.000 1.351 183 D HN -0.282 nan 8.370 nan 0.000 0.427 184 P HA -0.081 nan 4.420 nan 0.000 0.216 184 P C 1.416 178.740 177.300 0.039 0.000 1.153 184 P CA 2.750 65.881 63.100 0.051 0.000 0.858 184 P CB -0.024 31.703 31.700 0.046 0.000 0.789 185 A N -0.480 122.357 122.820 0.028 0.000 1.940 185 A HA -0.292 4.020 4.320 -0.013 0.000 0.219 185 A C 2.390 179.982 177.584 0.014 0.000 1.176 185 A CA 1.843 53.891 52.037 0.018 0.000 0.631 185 A CB -1.406 17.602 19.000 0.014 0.000 0.814 185 A HN 0.200 nan 8.150 nan 0.000 0.446 186 Q N -0.554 119.255 119.800 0.015 0.000 2.030 186 Q HA -0.179 4.153 4.340 -0.013 0.000 0.204 186 Q C 2.286 178.280 176.000 -0.011 0.000 0.986 186 Q CA 1.891 57.694 55.803 0.001 0.000 0.843 186 Q CB -0.383 28.355 28.738 0.000 0.000 0.904 186 Q HN 0.625 nan 8.270 nan 0.000 0.420 187 A N 0.623 123.453 122.820 0.017 0.000 1.851 187 A HA -0.267 4.045 4.320 -0.013 0.000 0.216 187 A C 2.044 179.692 177.584 0.107 0.000 1.195 187 A CA 1.736 53.815 52.037 0.070 0.000 0.622 187 A CB -0.848 18.238 19.000 0.144 0.000 0.831 187 A HN 0.465 nan 8.150 nan 0.000 0.444 188 Q N -0.689 119.152 119.800 0.069 0.000 2.077 188 Q HA -0.182 4.150 4.340 -0.013 0.000 0.206 188 Q C 2.214 178.215 176.000 0.003 0.000 0.989 188 Q CA 2.200 58.025 55.803 0.035 0.000 0.853 188 Q CB -1.214 27.529 28.738 0.008 0.000 0.907 188 Q HN 0.667 nan 8.270 nan 0.000 0.418 189 T N 1.159 115.705 114.554 -0.012 0.000 2.833 189 T HA -0.099 4.244 4.350 -0.013 0.000 0.269 189 T C 1.765 176.414 174.700 -0.084 0.000 1.054 189 T CA 1.204 63.283 62.100 -0.035 0.000 1.135 189 T CB -0.150 68.708 68.868 -0.016 0.000 0.869 189 T HN 0.437 nan 8.240 nan 0.000 0.466 190 A N 1.049 123.804 122.820 -0.108 0.000 1.872 190 A HA 0.026 4.338 4.320 -0.013 0.000 0.214 190 A C 2.300 179.659 177.584 -0.376 0.000 1.187 190 A CA 1.261 53.111 52.037 -0.312 0.000 0.614 190 A CB -0.611 18.086 19.000 -0.504 0.000 0.826 190 A HN 0.431 nan 8.150 nan 0.000 0.442 191 M N -0.372 119.263 119.600 0.058 0.000 2.106 191 M HA -0.214 4.259 4.480 -0.013 0.000 0.259 191 M C 2.513 178.699 176.300 -0.191 0.000 1.068 191 M CA 1.471 56.801 55.300 0.049 0.000 1.100 191 M CB -0.466 32.140 32.600 0.010 0.000 1.351 191 M HN 0.518 nan 8.290 nan 0.000 0.404 192 A N 0.687 123.405 122.820 -0.170 0.000 1.849 192 A HA -0.249 4.064 4.320 -0.013 0.000 0.217 192 A C 1.887 179.325 177.584 -0.243 0.000 1.202 192 A CA 2.205 54.142 52.037 -0.167 0.000 0.629 192 A CB -1.004 17.930 19.000 -0.110 0.000 0.834 192 A HN 0.591 nan 8.150 nan 0.000 0.447 193 E N -0.868 119.137 120.200 -0.324 0.000 2.021 193 E HA -0.306 4.037 4.350 -0.013 0.000 0.200 193 E C 2.150 178.347 176.600 -0.672 0.000 1.015 193 E CA 1.562 57.735 56.400 -0.378 0.000 0.824 193 E CB -0.471 29.062 29.700 -0.279 0.000 0.762 193 E HN 0.715 nan 8.360 nan 0.000 0.454 194 M N 1.193 119.970 119.600 -1.373 0.000 2.163 194 M HA -0.272 4.201 4.480 -0.013 0.000 0.258 194 M C 2.590 178.640 176.300 -0.418 0.000 1.071 194 M CA 2.221 56.779 55.300 -1.237 0.000 1.093 194 M CB -0.260 31.794 32.600 -0.911 0.000 1.285 194 M HN 0.094 nan 8.290 nan 0.000 0.420 195 S N -0.223 115.288 115.700 -0.314 0.000 2.380 195 S HA -0.178 4.285 4.470 -0.013 0.000 0.229 195 S C 1.865 176.388 174.600 -0.129 0.000 1.043 195 S CA 1.983 60.074 58.200 -0.182 0.000 1.038 195 S CB -1.060 62.030 63.200 -0.182 0.000 0.872 195 S HN 0.766 nan 8.310 nan 0.000 0.456 196 G N -0.579 108.139 108.800 -0.136 0.000 2.421 196 G HA2 -0.200 3.752 3.960 -0.013 0.000 0.216 196 G HA3 -0.200 3.752 3.960 -0.013 0.000 0.216 196 G C 1.273 176.165 174.900 -0.013 0.000 1.171 196 G CA 1.000 46.061 45.100 -0.065 0.000 0.775 196 G HN 0.624 nan 8.290 nan 0.000 0.543 197 Y N 1.386 121.623 120.300 -0.105 0.000 2.070 197 Y HA -0.141 4.401 4.550 -0.013 0.000 0.280 197 Y C 2.651 178.573 175.900 0.037 0.000 1.148 197 Y CA 1.559 59.661 58.100 0.004 0.000 1.125 197 Y CB -0.603 37.904 38.460 0.079 0.000 0.975 197 Y HN 0.110 nan 8.280 nan 0.000 0.492 198 L N -0.676 120.469 121.223 -0.129 0.000 1.963 198 L HA -0.369 3.963 4.340 -0.013 0.000 0.220 198 L C 2.548 179.315 176.870 -0.171 0.000 1.076 198 L CA 1.969 56.720 54.840 -0.148 0.000 0.772 198 L CB -1.204 40.880 42.059 0.042 0.000 0.892 198 L HN 0.204 nan 8.230 nan 0.000 0.435 199 S N -0.612 115.026 115.700 -0.103 0.000 2.390 199 S HA -0.306 4.156 4.470 -0.013 0.000 0.234 199 S C 1.986 176.522 174.600 -0.106 0.000 1.063 199 S CA 1.788 59.938 58.200 -0.083 0.000 1.108 199 S CB -0.400 62.761 63.200 -0.064 0.000 0.975 199 S HN 0.331 nan 8.310 nan 0.000 0.442 200 R N 0.208 120.624 120.500 -0.140 0.000 2.088 200 R HA -0.080 4.252 4.340 -0.013 0.000 0.232 200 R C 2.442 178.632 176.300 -0.182 0.000 1.136 200 R CA 1.584 57.603 56.100 -0.134 0.000 0.926 200 R CB -0.825 29.411 30.300 -0.107 0.000 0.837 200 R HN 0.310 nan 8.270 nan 0.000 0.429 201 L N 1.508 122.510 121.223 -0.369 0.000 2.034 201 L HA -0.253 4.079 4.340 -0.013 0.000 0.217 201 L C 2.011 178.801 176.870 -0.134 0.000 1.077 201 L CA 1.788 56.446 54.840 -0.303 0.000 0.769 201 L CB -0.478 41.303 42.059 -0.463 0.000 0.890 201 L HN 0.241 nan 8.230 nan 0.000 0.435 202 I N -0.498 120.002 120.570 -0.117 0.000 2.068 202 I HA -0.381 3.782 4.170 -0.013 0.000 0.238 202 I C 2.348 178.438 176.117 -0.045 0.000 1.046 202 I CA 1.931 63.198 61.300 -0.055 0.000 1.306 202 I CB -0.677 37.297 38.000 -0.042 0.000 1.023 202 I HN 0.371 nan 8.210 nan 0.000 0.399 203 D N 0.699 121.069 120.400 -0.050 0.000 2.172 203 D HA -0.207 4.426 4.640 -0.013 0.000 0.196 203 D C 2.264 178.549 176.300 -0.026 0.000 0.999 203 D CA 1.817 55.796 54.000 -0.034 0.000 0.856 203 D CB -0.078 40.701 40.800 -0.035 0.000 0.934 203 D HN 0.414 nan 8.370 nan 0.000 0.453 204 S N -0.750 114.932 115.700 -0.031 0.000 2.442 204 S HA -0.135 4.328 4.470 -0.013 0.000 0.236 204 S C 1.723 176.320 174.600 -0.006 0.000 1.007 204 S CA 0.644 58.836 58.200 -0.014 0.000 0.965 204 S CB -0.180 63.014 63.200 -0.010 0.000 0.773 204 S HN 0.117 nan 8.310 nan 0.000 0.504 205 K N 1.070 121.465 120.400 -0.009 0.000 2.296 205 K HA 0.172 4.485 4.320 -0.013 0.000 0.200 205 K C 0.617 177.215 176.600 -0.003 0.000 1.048 205 K CA 0.137 56.422 56.287 -0.003 0.000 0.966 205 K CB -0.365 32.133 32.500 -0.002 0.000 0.754 205 K HN 0.368 nan 8.250 nan 0.000 0.466 206 R N 0.967 121.463 120.500 -0.006 0.000 2.494 206 R HA -0.065 4.268 4.340 -0.013 0.000 0.291 206 R C 0.828 177.126 176.300 -0.003 0.000 0.953 206 R CA 1.063 57.160 56.100 -0.005 0.000 1.098 206 R CB -0.714 29.581 30.300 -0.007 0.000 0.911 206 R HN 0.494 nan 8.270 nan 0.000 0.407 207 G N 2.836 111.635 108.800 -0.002 0.000 2.361 207 G HA2 -0.290 3.663 3.960 -0.013 0.000 0.294 207 G HA3 -0.290 3.663 3.960 -0.013 0.000 0.294 207 G C 0.630 175.530 174.900 0.000 0.000 1.004 207 G CA 0.392 45.491 45.100 -0.001 0.000 0.870 207 G HN 0.567 nan 8.290 nan 0.000 0.510 208 Q N -0.677 119.123 119.800 0.001 0.000 2.281 208 Q HA 0.163 4.496 4.340 -0.013 0.000 0.215 208 Q C 0.926 176.927 176.000 0.002 0.000 0.867 208 Q CA 0.658 56.462 55.803 0.002 0.000 0.940 208 Q CB 0.400 29.140 28.738 0.004 0.000 1.111 208 Q HN 0.666 nan 8.270 nan 0.000 0.513 209 D N 0.023 120.424 120.400 0.000 0.000 2.800 209 D HA -0.155 4.478 4.640 -0.013 0.000 0.232 209 D C 0.312 176.611 176.300 -0.001 0.000 1.137 209 D CA 1.094 55.093 54.000 -0.001 0.000 0.718 209 D CB -1.059 39.741 40.800 -0.001 0.000 1.084 209 D HN 0.373 nan 8.370 nan 0.000 0.432 210 G N -0.493 108.307 108.800 -0.000 0.000 2.599 210 G HA2 0.390 4.342 3.960 -0.013 0.000 0.264 210 G HA3 0.390 4.342 3.960 -0.013 0.000 0.264 210 G C 0.587 175.485 174.900 -0.005 0.000 1.200 210 G CA -0.425 44.675 45.100 -0.001 0.000 0.896 210 G HN 0.239 nan 8.290 nan 0.000 0.536 211 E N -1.003 119.193 120.200 -0.008 0.000 2.601 211 E HA 0.087 4.430 4.350 -0.013 0.000 0.219 211 E C -0.393 176.195 176.600 -0.019 0.000 0.964 211 E CA -0.248 56.144 56.400 -0.014 0.000 1.050 211 E CB 0.488 30.179 29.700 -0.016 0.000 1.068 211 E HN 0.738 nan 8.360 nan 0.000 0.496 212 D N -0.171 120.220 120.400 -0.014 0.000 2.360 212 D HA -0.051 4.581 4.640 -0.013 0.000 0.242 212 D C 1.161 177.451 176.300 -0.017 0.000 1.184 212 D CA -0.507 53.483 54.000 -0.018 0.000 0.930 212 D CB 0.986 41.782 40.800 -0.007 0.000 1.161 212 D HN -0.152 nan 8.370 nan 0.000 0.447 213 L N 1.120 122.329 121.223 -0.024 0.000 1.971 213 L HA -0.163 4.169 4.340 -0.013 0.000 0.215 213 L C 1.991 178.867 176.870 0.010 0.000 1.072 213 L CA 1.648 56.480 54.840 -0.014 0.000 0.758 213 L CB -1.113 40.939 42.059 -0.012 0.000 0.889 213 L HN 0.648 nan 8.230 nan 0.000 0.433 214 L N -0.530 120.705 121.223 0.021 0.000 1.991 214 L HA -0.329 4.003 4.340 -0.013 0.000 0.221 214 L C 2.647 179.526 176.870 0.015 0.000 1.079 214 L CA 2.390 57.246 54.840 0.027 0.000 0.778 214 L CB -1.279 40.798 42.059 0.031 0.000 0.893 214 L HN 0.450 nan 8.230 nan 0.000 0.437 215 S N -0.552 115.154 115.700 0.009 0.000 2.372 215 S HA -0.300 4.163 4.470 -0.013 0.000 0.227 215 S C 2.052 176.653 174.600 0.002 0.000 1.044 215 S CA 1.492 59.694 58.200 0.004 0.000 1.050 215 S CB -0.825 62.375 63.200 0.001 0.000 0.901 215 S HN 0.699 nan 8.310 nan 0.000 0.447 216 A N 1.181 124.001 122.820 0.001 0.000 1.908 216 A HA -0.066 4.246 4.320 -0.013 0.000 0.218 216 A C 2.173 179.760 177.584 0.005 0.000 1.181 216 A CA 1.365 53.402 52.037 -0.000 0.000 0.627 216 A CB -0.773 18.224 19.000 -0.005 0.000 0.818 216 A HN 0.452 nan 8.150 nan 0.000 0.445 217 L N -0.535 120.695 121.223 0.011 0.000 2.017 217 L HA -0.185 4.147 4.340 -0.013 0.000 0.208 217 L C 2.559 179.436 176.870 0.010 0.000 1.073 217 L CA 1.381 56.231 54.840 0.016 0.000 0.745 217 L CB -0.575 41.500 42.059 0.027 0.000 0.894 217 L HN 0.269 nan 8.230 nan 0.000 0.432 218 V N -0.514 119.404 119.914 0.007 0.000 2.392 218 V HA -0.302 3.811 4.120 -0.013 0.000 0.249 218 V C 2.586 178.680 176.094 -0.000 0.000 1.059 218 V CA 1.726 64.027 62.300 0.002 0.000 1.051 218 V CB -0.719 31.103 31.823 -0.001 0.000 0.658 218 V HN 0.389 nan 8.190 nan 0.000 0.455 219 R N -0.217 120.284 120.500 0.000 0.000 2.081 219 R HA -0.142 4.190 4.340 -0.013 0.000 0.235 219 R C 2.495 178.795 176.300 -0.000 0.000 1.131 219 R CA 1.997 58.097 56.100 -0.001 0.000 0.960 219 R CB -0.521 29.779 30.300 -0.001 0.000 0.856 219 R HN 0.545 nan 8.270 nan 0.000 0.436 220 T N -0.461 114.094 114.554 0.002 0.000 2.746 220 T HA -0.153 4.190 4.350 -0.013 0.000 0.267 220 T C 1.806 176.507 174.700 0.002 0.000 1.039 220 T CA 1.672 63.773 62.100 0.003 0.000 1.142 220 T CB -0.233 68.639 68.868 0.006 0.000 0.866 220 T HN 0.213 nan 8.240 nan 0.000 0.444 221 S N 0.624 116.324 115.700 0.002 0.000 2.402 221 S HA -0.133 4.330 4.470 -0.013 0.000 0.229 221 S C 1.677 176.275 174.600 -0.004 0.000 1.021 221 S CA 1.083 59.282 58.200 -0.001 0.000 0.974 221 S CB -0.420 62.780 63.200 -0.001 0.000 0.800 221 S HN 0.368 nan 8.310 nan 0.000 0.484 222 D N 1.166 121.564 120.400 -0.004 0.000 2.120 222 D HA -0.029 4.604 4.640 -0.013 0.000 0.202 222 D C 2.010 178.307 176.300 -0.004 0.000 0.972 222 D CA 0.928 54.925 54.000 -0.006 0.000 0.837 222 D CB -0.515 40.282 40.800 -0.005 0.000 0.989 222 D HN 0.560 nan 8.370 nan 0.000 0.469 223 E N 0.075 120.273 120.200 -0.003 0.000 2.130 223 E HA -0.139 4.204 4.350 -0.013 0.000 0.196 223 E C 0.279 176.877 176.600 -0.002 0.000 0.998 223 E CA 0.929 57.328 56.400 -0.002 0.000 0.806 223 E CB 0.235 29.934 29.700 -0.001 0.000 0.738 223 E HN 0.105 nan 8.360 nan 0.000 0.459 224 D N -1.896 118.503 120.400 -0.002 0.000 2.354 224 D HA 0.072 4.704 4.640 -0.013 0.000 0.230 224 D C 0.388 176.686 176.300 -0.003 0.000 1.361 224 D CA -0.044 53.955 54.000 -0.002 0.000 0.992 224 D CB 0.927 41.727 40.800 -0.000 0.000 1.409 224 D HN 0.056 nan 8.370 nan 0.000 0.573 225 G N 1.437 110.234 108.800 -0.006 0.000 2.535 225 G HA2 -0.179 3.773 3.960 -0.013 0.000 0.218 225 G HA3 -0.179 3.773 3.960 -0.013 0.000 0.218 225 G C 1.210 176.105 174.900 -0.007 0.000 1.122 225 G CA 1.019 46.114 45.100 -0.009 0.000 0.769 225 G HN 0.466 nan 8.290 nan 0.000 0.549 226 S N -0.955 114.743 115.700 -0.003 0.000 2.631 226 S HA 0.245 4.707 4.470 -0.013 0.000 0.217 226 S C 1.751 176.354 174.600 0.004 0.000 0.958 226 S CA -0.187 58.013 58.200 0.000 0.000 0.920 226 S CB 0.089 63.290 63.200 0.002 0.000 0.776 226 S HN 0.399 nan 8.310 nan 0.000 0.517 227 R N -0.612 119.890 120.500 0.004 0.000 2.453 227 R HA 0.444 4.776 4.340 -0.013 0.000 0.233 227 R C -1.051 175.254 176.300 0.008 0.000 0.895 227 R CA 0.042 56.147 56.100 0.007 0.000 1.028 227 R CB 0.671 30.974 30.300 0.006 0.000 1.255 227 R HN 0.393 nan 8.270 nan 0.000 0.571 228 L N 1.422 122.648 121.223 0.005 0.000 2.811 228 L HA 0.129 4.461 4.340 -0.013 0.000 0.251 228 L C -0.165 176.702 176.870 -0.005 0.000 0.971 228 L CA -0.267 54.577 54.840 0.006 0.000 0.990 228 L CB 1.236 43.300 42.059 0.009 0.000 1.320 228 L HN 0.103 nan 8.230 nan 0.000 0.473 229 T N -0.063 114.482 114.554 -0.014 0.000 2.667 229 T HA 0.220 4.562 4.350 -0.013 0.000 0.305 229 T C 1.154 175.831 174.700 -0.038 0.000 1.022 229 T CA 0.410 62.488 62.100 -0.036 0.000 0.995 229 T CB 0.739 69.564 68.868 -0.072 0.000 1.026 229 T HN 0.526 nan 8.240 nan 0.000 0.527 230 S N 0.315 115.984 115.700 -0.051 0.000 2.383 230 S HA -0.070 4.393 4.470 -0.013 0.000 0.227 230 S C 2.015 176.584 174.600 -0.052 0.000 1.026 230 S CA 1.226 59.399 58.200 -0.045 0.000 0.981 230 S CB -0.416 62.756 63.200 -0.048 0.000 0.818 230 S HN 0.798 nan 8.310 nan 0.000 0.472 231 E N 1.333 121.477 120.200 -0.094 0.000 2.046 231 E HA -0.118 4.225 4.350 -0.013 0.000 0.190 231 E C 2.009 178.596 176.600 -0.022 0.000 0.982 231 E CA 0.855 57.193 56.400 -0.103 0.000 0.800 231 E CB -0.217 29.303 29.700 -0.300 0.000 0.756 231 E HN 0.546 nan 8.360 nan 0.000 0.449 232 E N 0.795 120.981 120.200 -0.023 0.000 2.118 232 E HA -0.203 4.139 4.350 -0.013 0.000 0.195 232 E C 2.097 178.726 176.600 0.049 0.000 0.992 232 E CA 0.687 57.119 56.400 0.053 0.000 0.804 232 E CB -0.066 29.658 29.700 0.041 0.000 0.741 232 E HN 0.089 nan 8.360 nan 0.000 0.458 233 L N 1.017 122.253 121.223 0.022 0.000 2.056 233 L HA -0.106 4.227 4.340 -0.013 0.000 0.207 233 L C 2.009 178.901 176.870 0.037 0.000 1.078 233 L CA 1.383 56.237 54.840 0.024 0.000 0.749 233 L CB -0.439 41.624 42.059 0.007 0.000 0.901 233 L HN 0.156 nan 8.230 nan 0.000 0.433 234 L N -1.005 120.234 121.223 0.027 0.000 2.005 234 L HA -0.070 4.262 4.340 -0.013 0.000 0.207 234 L C 2.346 179.265 176.870 0.083 0.000 1.072 234 L CA 1.636 56.496 54.840 0.034 0.000 0.744 234 L CB -1.058 41.002 42.059 0.002 0.000 0.895 234 L HN 0.422 nan 8.230 nan 0.000 0.433 235 G N 0.023 108.880 108.800 0.096 0.000 2.491 235 G HA2 -0.423 3.529 3.960 -0.013 0.000 0.218 235 G HA3 -0.423 3.529 3.960 -0.013 0.000 0.218 235 G C 1.492 176.492 174.900 0.167 0.000 1.180 235 G CA 1.272 46.466 45.100 0.157 0.000 0.774 235 G HN 0.380 nan 8.290 nan 0.000 0.562 236 M N 1.542 121.208 119.600 0.110 0.000 2.106 236 M HA 0.032 4.504 4.480 -0.013 0.000 0.259 236 M C 2.671 179.023 176.300 0.087 0.000 1.068 236 M CA 1.853 57.202 55.300 0.080 0.000 1.100 236 M CB -0.496 32.142 32.600 0.063 0.000 1.351 236 M HN 0.258 nan 8.290 nan 0.000 0.404 237 A N -0.833 122.052 122.820 0.107 0.000 1.877 237 A HA -0.249 4.063 4.320 -0.013 0.000 0.216 237 A C 2.302 179.985 177.584 0.166 0.000 1.186 237 A CA 2.089 54.201 52.037 0.125 0.000 0.620 237 A CB -1.469 17.604 19.000 0.121 0.000 0.822 237 A HN 0.813 nan 8.150 nan 0.000 0.443 238 H N -0.814 118.312 119.070 0.093 0.000 2.267 238 H HA -0.165 4.385 4.556 -0.009 0.000 0.297 238 H C 2.091 177.470 175.328 0.086 0.000 1.080 238 H CA 2.131 58.239 56.048 0.101 0.000 1.278 238 H CB -0.294 29.491 29.762 0.038 0.000 1.365 238 H HN 0.335 nan 8.280 nan 0.000 0.489 239 I N 1.245 121.635 120.570 -0.301 0.000 2.226 239 I HA -0.258 3.905 4.170 -0.013 0.000 0.245 239 I C 2.697 178.714 176.117 -0.166 0.000 1.100 239 I CA 0.966 62.069 61.300 -0.328 0.000 1.374 239 I CB -0.495 37.434 38.000 -0.119 0.000 1.057 239 I HN 0.308 nan 8.210 nan 0.000 0.413 240 L N -0.879 120.302 121.223 -0.071 0.000 2.046 240 L HA -0.236 4.096 4.340 -0.013 0.000 0.208 240 L C 2.446 179.307 176.870 -0.016 0.000 1.077 240 L CA 1.347 56.163 54.840 -0.040 0.000 0.747 240 L CB -0.656 41.429 42.059 0.043 0.000 0.896 240 L HN 0.286 nan 8.230 nan 0.000 0.432 241 L N -1.147 120.078 121.223 0.003 0.000 1.982 241 L HA -0.142 4.191 4.340 -0.013 0.000 0.206 241 L C 2.477 179.365 176.870 0.030 0.000 1.078 241 L CA 0.736 55.577 54.840 0.001 0.000 0.749 241 L CB -0.563 41.523 42.059 0.045 0.000 0.894 241 L HN -0.045 nan 8.230 nan 0.000 0.436 242 V N 0.279 120.219 119.914 0.043 0.000 2.568 242 V HA -0.300 3.812 4.120 -0.013 0.000 0.253 242 V C 2.557 178.683 176.094 0.053 0.000 1.072 242 V CA 1.673 64.017 62.300 0.073 0.000 1.084 242 V CB -0.933 30.870 31.823 -0.034 0.000 0.676 242 V HN 0.488 nan 8.190 nan 0.000 0.469 243 A N 0.626 123.428 122.820 -0.030 0.000 1.832 243 A HA 0.012 4.325 4.320 -0.013 0.000 0.214 243 A C 2.374 179.986 177.584 0.048 0.000 1.204 243 A CA 1.568 53.597 52.037 -0.013 0.000 0.606 243 A CB -1.265 17.693 19.000 -0.070 0.000 0.849 243 A HN 0.504 nan 8.150 nan 0.000 0.445 244 G N -1.975 106.847 108.800 0.036 0.000 2.679 244 G HA2 -0.053 3.899 3.960 -0.013 0.000 0.212 244 G HA3 -0.053 3.899 3.960 -0.013 0.000 0.212 244 G C 1.186 176.140 174.900 0.090 0.000 1.137 244 G CA 1.133 46.264 45.100 0.051 0.000 0.787 244 G HN 0.710 nan 8.290 nan 0.000 0.534 245 H N 0.927 120.017 119.070 0.033 0.000 2.393 245 H HA -0.035 4.514 4.556 -0.012 0.000 0.300 245 H C 2.539 177.929 175.328 0.103 0.000 1.043 245 H CA 1.816 57.896 56.048 0.053 0.000 1.205 245 H CB 0.024 29.852 29.762 0.110 0.000 1.411 245 H HN 0.098 nan 8.280 nan 0.000 0.560 246 E N -0.473 119.829 120.200 0.170 0.000 2.114 246 E HA -0.211 4.131 4.350 -0.013 0.000 0.199 246 E C 2.323 178.979 176.600 0.093 0.000 1.008 246 E CA 2.002 58.479 56.400 0.128 0.000 0.810 246 E CB -0.695 29.131 29.700 0.209 0.000 0.739 246 E HN 0.786 nan 8.360 nan 0.000 0.456 247 T N -1.518 113.098 114.554 0.103 0.000 2.643 247 T HA -0.124 4.218 4.350 -0.013 0.000 0.264 247 T C 2.104 176.862 174.700 0.095 0.000 1.045 247 T CA 2.031 64.196 62.100 0.108 0.000 1.155 247 T CB -0.969 67.969 68.868 0.116 0.000 0.863 247 T HN -0.006 nan 8.240 nan 0.000 0.420 248 T N 1.834 116.431 114.554 0.072 0.000 2.737 248 T HA -0.079 4.263 4.350 -0.013 0.000 0.269 248 T C 2.105 176.826 174.700 0.035 0.000 1.040 248 T CA 1.224 63.361 62.100 0.061 0.000 1.142 248 T CB -0.747 68.138 68.868 0.028 0.000 0.861 248 T HN 0.236 nan 8.240 nan 0.000 0.456 249 V N 2.472 122.384 119.914 -0.005 0.000 2.237 249 V HA -0.176 3.936 4.120 -0.013 0.000 0.245 249 V C 2.396 178.531 176.094 0.069 0.000 1.046 249 V CA 1.604 63.908 62.300 0.006 0.000 1.007 249 V CB -0.493 31.326 31.823 -0.007 0.000 0.638 249 V HN 0.492 nan 8.190 nan 0.000 0.445 250 N N -0.039 118.720 118.700 0.098 0.000 2.453 250 N HA -0.106 4.627 4.740 -0.013 0.000 0.183 250 N C 1.618 177.213 175.510 0.143 0.000 1.041 250 N CA 0.998 54.129 53.050 0.134 0.000 0.900 250 N CB -0.163 38.427 38.487 0.173 0.000 0.961 250 N HN 0.407 nan 8.380 nan 0.000 0.443 251 L N 1.174 122.471 121.223 0.123 0.000 2.072 251 L HA 0.043 4.375 4.340 -0.013 0.000 0.205 251 L C 1.925 178.866 176.870 0.118 0.000 1.079 251 L CA 1.234 56.149 54.840 0.125 0.000 0.752 251 L CB -0.460 41.670 42.059 0.120 0.000 0.906 251 L HN 0.001 nan 8.230 nan 0.000 0.436 252 I N -0.065 120.564 120.570 0.098 0.000 2.179 252 I HA -0.259 3.904 4.170 -0.013 0.000 0.242 252 I C 2.621 178.793 176.117 0.093 0.000 1.088 252 I CA 1.193 62.544 61.300 0.085 0.000 1.357 252 I CB -0.933 37.102 38.000 0.059 0.000 1.051 252 I HN 0.366 nan 8.210 nan 0.000 0.409 253 A N 1.380 124.256 122.820 0.093 0.000 1.855 253 A HA -0.186 4.127 4.320 -0.013 0.000 0.215 253 A C 2.044 179.698 177.584 0.116 0.000 1.191 253 A CA 2.055 54.140 52.037 0.080 0.000 0.613 253 A CB -0.747 18.281 19.000 0.047 0.000 0.829 253 A HN 0.392 nan 8.150 nan 0.000 0.442 254 N N 0.271 119.069 118.700 0.164 0.000 2.188 254 N HA -0.046 4.686 4.740 -0.013 0.000 0.184 254 N C 1.718 177.385 175.510 0.263 0.000 1.018 254 N CA 1.406 54.631 53.050 0.291 0.000 0.858 254 N CB -0.613 38.091 38.487 0.362 0.000 0.989 254 N HN 0.460 nan 8.380 nan 0.000 0.426 255 G N 0.120 109.027 108.800 0.179 0.000 2.403 255 G HA2 -0.149 3.804 3.960 -0.013 0.000 0.216 255 G HA3 -0.149 3.804 3.960 -0.013 0.000 0.216 255 G C 1.384 176.344 174.900 0.099 0.000 1.154 255 G CA 0.442 45.623 45.100 0.136 0.000 0.784 255 G HN 0.098 nan 8.290 nan 0.000 0.538 256 M N -0.526 119.144 119.600 0.117 0.000 2.254 256 M HA 0.118 4.591 4.480 -0.013 0.000 0.265 256 M C 2.212 178.580 176.300 0.113 0.000 1.066 256 M CA 0.313 55.674 55.300 0.101 0.000 1.123 256 M CB -1.051 31.608 32.600 0.098 0.000 1.388 256 M HN 0.378 nan 8.290 nan 0.000 0.425 257 Y N 1.353 121.664 120.300 0.020 0.000 2.114 257 Y HA -0.140 4.402 4.550 -0.012 0.000 0.284 257 Y C 2.355 178.261 175.900 0.010 0.000 1.143 257 Y CA 1.924 60.036 58.100 0.020 0.000 1.135 257 Y CB -0.773 37.703 38.460 0.027 0.000 0.980 257 Y HN 0.175 nan 8.280 nan 0.000 0.499 258 A N 0.509 123.189 122.820 -0.234 0.000 1.873 258 A HA -0.249 4.064 4.320 -0.013 0.000 0.218 258 A C 2.260 179.464 177.584 -0.633 0.000 1.193 258 A CA 2.049 53.711 52.037 -0.625 0.000 0.629 258 A CB -1.468 16.988 19.000 -0.906 0.000 0.826 258 A HN 0.574 nan 8.150 nan 0.000 0.447 259 L N -0.569 120.474 121.223 -0.301 0.000 2.127 259 L HA -0.107 4.225 4.340 -0.013 0.000 0.211 259 L C 2.137 179.032 176.870 0.041 0.000 1.089 259 L CA 1.642 56.505 54.840 0.039 0.000 0.757 259 L CB -0.279 41.851 42.059 0.119 0.000 0.899 259 L HN 0.427 nan 8.230 nan 0.000 0.434 260 L N -1.418 119.790 121.223 -0.025 0.000 2.202 260 L HA -0.009 4.323 4.340 -0.013 0.000 0.205 260 L C 2.283 179.122 176.870 -0.052 0.000 1.083 260 L CA 0.929 55.768 54.840 -0.003 0.000 0.790 260 L CB -0.534 41.545 42.059 0.033 0.000 0.942 260 L HN 0.360 nan 8.230 nan 0.000 0.452 261 S N -1.900 113.691 115.700 -0.183 0.000 2.603 261 S HA -0.085 4.378 4.470 -0.013 0.000 0.229 261 S C 0.269 174.700 174.600 -0.280 0.000 0.972 261 S CA 0.315 58.358 58.200 -0.262 0.000 0.935 261 S CB -0.526 62.342 63.200 -0.554 0.000 0.769 261 S HN 0.425 nan 8.310 nan 0.000 0.536 262 H N 0.755 119.745 119.070 -0.134 0.000 2.423 262 H HA 0.387 4.936 4.556 -0.013 0.000 0.237 262 H C -2.307 173.027 175.328 0.010 0.000 1.391 262 H CA -1.776 54.253 56.048 -0.032 0.000 1.453 262 H CB 0.962 30.769 29.762 0.074 0.000 1.484 262 H HN 0.104 nan 8.280 nan 0.000 0.505 263 P HA -0.237 nan 4.420 nan 0.000 0.217 263 P C 1.476 178.809 177.300 0.056 0.000 1.151 263 P CA 1.586 64.714 63.100 0.047 0.000 0.849 263 P CB 0.411 32.120 31.700 0.015 0.000 0.787 264 D N -0.869 119.566 120.400 0.058 0.000 2.104 264 D HA -0.225 4.407 4.640 -0.013 0.000 0.194 264 D C 1.676 178.001 176.300 0.041 0.000 0.994 264 D CA 1.444 55.469 54.000 0.042 0.000 0.830 264 D CB -0.948 39.875 40.800 0.039 0.000 0.959 264 D HN 0.157 nan 8.370 nan 0.000 0.452 265 Q N 0.214 120.060 119.800 0.078 0.000 1.993 265 Q HA -0.072 4.260 4.340 -0.013 0.000 0.202 265 Q C 2.588 178.617 176.000 0.048 0.000 0.984 265 Q CA 0.674 56.501 55.803 0.040 0.000 0.837 265 Q CB -0.885 27.911 28.738 0.097 0.000 0.902 265 Q HN 0.384 nan 8.270 nan 0.000 0.423 266 L N 1.026 122.305 121.223 0.094 0.000 2.051 266 L HA -0.205 4.127 4.340 -0.013 0.000 0.214 266 L C 2.138 179.031 176.870 0.040 0.000 1.076 266 L CA 2.454 57.337 54.840 0.071 0.000 0.758 266 L CB -1.029 41.073 42.059 0.072 0.000 0.890 266 L HN 0.157 nan 8.230 nan 0.000 0.433 267 A N -0.156 122.684 122.820 0.034 0.000 1.873 267 A HA -0.200 4.112 4.320 -0.013 0.000 0.218 267 A C 2.507 180.097 177.584 0.008 0.000 1.193 267 A CA 2.670 54.719 52.037 0.020 0.000 0.629 267 A CB -1.455 17.555 19.000 0.017 0.000 0.826 267 A HN 0.693 nan 8.150 nan 0.000 0.447 268 A N -1.116 121.703 122.820 -0.001 0.000 1.930 268 A HA 0.014 4.326 4.320 -0.013 0.000 0.217 268 A C 2.114 179.689 177.584 -0.015 0.000 1.175 268 A CA 1.709 53.737 52.037 -0.015 0.000 0.627 268 A CB -0.562 18.418 19.000 -0.033 0.000 0.815 268 A HN 0.627 nan 8.150 nan 0.000 0.443 269 L N -0.083 121.134 121.223 -0.010 0.000 2.046 269 L HA -0.132 4.200 4.340 -0.013 0.000 0.208 269 L C 2.474 179.345 176.870 0.001 0.000 1.077 269 L CA 1.775 56.611 54.840 -0.007 0.000 0.747 269 L CB -0.578 41.485 42.059 0.007 0.000 0.896 269 L HN 0.312 nan 8.230 nan 0.000 0.432 270 R N -0.698 119.807 120.500 0.008 0.000 2.062 270 R HA -0.052 4.280 4.340 -0.013 0.000 0.231 270 R C 2.194 178.497 176.300 0.004 0.000 1.136 270 R CA 1.260 57.365 56.100 0.009 0.000 0.948 270 R CB -0.891 29.418 30.300 0.015 0.000 0.845 270 R HN 0.480 nan 8.270 nan 0.000 0.430 271 A N 1.229 124.051 122.820 0.002 0.000 1.884 271 A HA -0.216 4.097 4.320 -0.013 0.000 0.219 271 A C 0.754 178.336 177.584 -0.003 0.000 1.197 271 A CA 1.913 53.950 52.037 -0.001 0.000 0.637 271 A CB -0.292 18.707 19.000 -0.003 0.000 0.827 271 A HN 0.340 nan 8.150 nan 0.000 0.450 272 D N -1.921 118.475 120.400 -0.007 0.000 2.375 272 D HA 0.402 5.034 4.640 -0.013 0.000 0.259 272 D C 0.689 176.984 176.300 -0.009 0.000 1.235 272 D CA -0.410 53.585 54.000 -0.008 0.000 0.924 272 D CB 0.318 41.111 40.800 -0.012 0.000 1.143 272 D HN 0.015 nan 8.370 nan 0.000 0.529 273 M N 1.313 120.910 119.600 -0.005 0.000 2.539 273 M HA -0.073 4.399 4.480 -0.013 0.000 0.261 273 M C 1.885 178.183 176.300 -0.004 0.000 1.069 273 M CA 0.943 56.241 55.300 -0.003 0.000 1.081 273 M CB -1.205 31.394 32.600 -0.000 0.000 1.412 273 M HN 0.540 nan 8.290 nan 0.000 0.482 274 T N -2.775 111.776 114.554 -0.006 0.000 3.072 274 T HA -0.026 4.316 4.350 -0.013 0.000 0.266 274 T C 1.700 176.395 174.700 -0.009 0.000 1.127 274 T CA 0.614 62.711 62.100 -0.005 0.000 1.107 274 T CB -0.305 68.560 68.868 -0.005 0.000 0.910 274 T HN 0.391 nan 8.240 nan 0.000 0.513 275 L N -0.269 120.945 121.223 -0.015 0.000 2.509 275 L HA 0.330 4.662 4.340 -0.013 0.000 0.222 275 L C 2.276 179.131 176.870 -0.025 0.000 1.123 275 L CA 0.033 54.857 54.840 -0.026 0.000 0.856 275 L CB -0.374 41.662 42.059 -0.039 0.000 0.985 275 L HN 0.260 nan 8.230 nan 0.000 0.456 276 L N 0.344 121.560 121.223 -0.012 0.000 1.965 276 L HA -0.361 3.972 4.340 -0.013 0.000 0.226 276 L C 1.937 178.808 176.870 0.002 0.000 1.083 276 L CA 2.339 57.178 54.840 -0.002 0.000 0.790 276 L CB -0.312 41.752 42.059 0.008 0.000 0.898 276 L HN 0.229 nan 8.230 nan 0.000 0.439 277 D N -0.302 120.105 120.400 0.011 0.000 2.355 277 D HA -0.263 4.369 4.640 -0.013 0.000 0.192 277 D C 1.969 178.276 176.300 0.012 0.000 1.014 277 D CA 2.057 56.070 54.000 0.023 0.000 0.862 277 D CB -0.830 39.987 40.800 0.027 0.000 0.986 277 D HN 0.604 nan 8.370 nan 0.000 0.456 278 G N -0.206 108.591 108.800 -0.006 0.000 2.462 278 G HA2 -0.161 3.791 3.960 -0.013 0.000 0.220 278 G HA3 -0.161 3.791 3.960 -0.013 0.000 0.220 278 G C 1.593 176.453 174.900 -0.067 0.000 1.121 278 G CA 1.262 46.345 45.100 -0.029 0.000 0.758 278 G HN 0.430 nan 8.290 nan 0.000 0.559 279 A N 0.407 123.188 122.820 -0.066 0.000 1.877 279 A HA 0.040 4.353 4.320 -0.013 0.000 0.216 279 A C 2.597 180.150 177.584 -0.051 0.000 1.186 279 A CA 1.873 53.850 52.037 -0.100 0.000 0.620 279 A CB -0.687 18.274 19.000 -0.064 0.000 0.822 279 A HN 0.319 nan 8.150 nan 0.000 0.443 280 V N 0.527 120.440 119.914 -0.001 0.000 2.380 280 V HA -0.270 3.842 4.120 -0.013 0.000 0.251 280 V C 2.491 178.579 176.094 -0.010 0.000 1.063 280 V CA 2.161 64.480 62.300 0.032 0.000 1.055 280 V CB -0.904 30.953 31.823 0.056 0.000 0.657 280 V HN 0.509 nan 8.190 nan 0.000 0.455 281 E N 0.277 120.440 120.200 -0.062 0.000 2.031 281 E HA -0.251 4.092 4.350 -0.013 0.000 0.193 281 E C 2.251 178.688 176.600 -0.272 0.000 0.994 281 E CA 1.585 57.866 56.400 -0.198 0.000 0.800 281 E CB -0.348 29.243 29.700 -0.182 0.000 0.752 281 E HN 0.699 nan 8.360 nan 0.000 0.447 282 E N 0.910 120.998 120.200 -0.187 0.000 2.130 282 E HA -0.175 4.168 4.350 -0.013 0.000 0.196 282 E C 2.093 178.707 176.600 0.023 0.000 0.998 282 E CA 1.282 57.587 56.400 -0.158 0.000 0.806 282 E CB -0.263 29.270 29.700 -0.279 0.000 0.738 282 E HN 0.201 nan 8.360 nan 0.000 0.459 283 M N -0.512 119.154 119.600 0.110 0.000 2.108 283 M HA -0.189 4.283 4.480 -0.013 0.000 0.261 283 M C 2.138 178.498 176.300 0.100 0.000 1.066 283 M CA 1.455 56.891 55.300 0.226 0.000 1.107 283 M CB -0.271 32.434 32.600 0.175 0.000 1.356 283 M HN 0.193 nan 8.290 nan 0.000 0.406 284 L N -1.139 120.053 121.223 -0.052 0.000 2.201 284 L HA -0.167 4.165 4.340 -0.013 0.000 0.212 284 L C 2.677 179.428 176.870 -0.198 0.000 1.105 284 L CA 0.911 55.674 54.840 -0.129 0.000 0.775 284 L CB -0.581 41.319 42.059 -0.265 0.000 0.913 284 L HN 0.288 nan 8.230 nan 0.000 0.440 285 R N -0.970 119.343 120.500 -0.312 0.000 2.100 285 R HA -0.141 4.191 4.340 -0.013 0.000 0.220 285 R C 2.317 178.539 176.300 -0.130 0.000 1.091 285 R CA 1.110 56.901 56.100 -0.515 0.000 0.986 285 R CB -0.124 29.851 30.300 -0.542 0.000 0.888 285 R HN 0.256 nan 8.270 nan 0.000 0.444 286 Y N 0.929 121.188 120.300 -0.069 0.000 2.206 286 Y HA 0.040 4.582 4.550 -0.012 0.000 0.292 286 Y C 0.419 176.365 175.900 0.077 0.000 1.123 286 Y CA 1.092 59.216 58.100 0.039 0.000 1.142 286 Y CB 0.627 39.183 38.460 0.159 0.000 1.006 286 Y HN -0.097 nan 8.280 nan 0.000 0.518 287 E N 0.877 121.168 120.200 0.152 0.000 3.898 287 E HA 0.244 4.587 4.350 -0.013 0.000 0.219 287 E C -0.291 176.405 176.600 0.160 0.000 1.207 287 E CA -0.105 56.369 56.400 0.123 0.000 1.240 287 E CB 0.378 30.217 29.700 0.231 0.000 1.239 287 E HN 0.400 nan 8.360 nan 0.000 0.422 288 G N 1.925 110.811 108.800 0.144 0.000 2.380 288 G HA2 0.108 4.060 3.960 -0.013 0.000 0.242 288 G HA3 0.108 4.060 3.960 -0.013 0.000 0.242 288 G C -1.562 173.419 174.900 0.136 0.000 1.298 288 G CA -0.751 44.424 45.100 0.125 0.000 0.878 288 G HN 0.048 nan 8.290 nan 0.000 0.542 289 P HA -0.090 nan 4.420 nan 0.000 0.215 289 P C 0.626 178.005 177.300 0.132 0.000 1.153 289 P CA 0.611 63.798 63.100 0.146 0.000 0.853 289 P CB 0.154 31.930 31.700 0.127 0.000 0.788 290 V N 0.766 120.738 119.914 0.097 0.000 2.406 290 V HA 0.085 4.197 4.120 -0.013 0.000 0.272 290 V C 1.574 177.691 176.094 0.039 0.000 1.043 290 V CA 0.143 62.485 62.300 0.071 0.000 0.915 290 V CB 1.031 32.886 31.823 0.052 0.000 0.988 290 V HN 0.063 nan 8.190 nan 0.000 0.466 291 E N 2.801 123.015 120.200 0.024 0.000 2.166 291 E HA 0.070 4.412 4.350 -0.013 0.000 0.192 291 E C 0.257 176.794 176.600 -0.106 0.000 0.967 291 E CA 0.417 56.792 56.400 -0.043 0.000 0.840 291 E CB 0.525 30.223 29.700 -0.003 0.000 0.795 291 E HN 0.695 nan 8.360 nan 0.000 0.470 292 S N 0.111 115.782 115.700 -0.048 0.000 2.571 292 S HA 0.596 5.059 4.470 -0.013 0.000 0.284 292 S C -0.611 173.977 174.600 -0.021 0.000 1.128 292 S CA -0.631 57.531 58.200 -0.063 0.000 0.970 292 S CB 1.804 64.991 63.200 -0.022 0.000 1.039 292 S HN 0.402 nan 8.310 nan 0.000 0.485 293 A N 2.403 125.195 122.820 -0.048 0.000 2.409 293 A HA 0.533 4.845 4.320 -0.013 0.000 0.246 293 A C 1.127 178.706 177.584 -0.008 0.000 1.099 293 A CA -0.005 52.010 52.037 -0.036 0.000 0.789 293 A CB -0.492 18.468 19.000 -0.067 0.000 1.053 293 A HN 0.918 nan 8.150 nan 0.000 0.503 294 T N -1.388 113.145 114.554 -0.035 0.000 2.652 294 T HA 0.230 4.573 4.350 -0.013 0.000 0.345 294 T C 0.059 174.780 174.700 0.036 0.000 1.051 294 T CA 0.157 62.231 62.100 -0.043 0.000 1.021 294 T CB -0.167 68.632 68.868 -0.116 0.000 1.141 294 T HN 0.331 nan 8.240 nan 0.000 0.518 295 Y N 0.811 120.968 120.300 -0.238 0.000 2.346 295 Y HA 0.471 5.013 4.550 -0.013 0.000 0.330 295 Y C 1.170 176.626 175.900 -0.741 0.000 1.178 295 Y CA -0.995 56.829 58.100 -0.460 0.000 1.331 295 Y CB 0.156 38.272 38.460 -0.574 0.000 1.253 295 Y HN 0.515 nan 8.280 nan 0.000 0.529 296 R N 3.206 123.370 120.500 -0.561 0.000 2.538 296 R HA 0.487 4.819 4.340 -0.013 0.000 0.292 296 R C -1.754 174.293 176.300 -0.423 0.000 1.008 296 R CA -0.670 55.134 56.100 -0.492 0.000 0.896 296 R CB 1.575 31.790 30.300 -0.142 0.000 1.187 296 R HN 0.464 nan 8.270 nan 0.000 0.440 297 F N 2.891 122.812 119.950 -0.048 0.000 2.458 297 F HA 0.416 4.935 4.527 -0.013 0.000 0.336 297 F C -1.932 173.746 175.800 -0.203 0.000 1.114 297 F CA -2.870 55.053 58.000 -0.127 0.000 0.987 297 F CB 1.802 40.688 39.000 -0.190 0.000 1.130 297 F HN 0.185 nan 8.300 nan 0.000 0.458 298 P HA 0.042 nan 4.420 nan 0.000 0.270 298 P C 0.774 177.927 177.300 -0.245 0.000 1.242 298 P CA 0.096 62.897 63.100 -0.498 0.000 0.768 298 P CB 0.924 32.275 31.700 -0.582 0.000 0.820 299 V N 2.774 122.565 119.914 -0.204 0.000 2.568 299 V HA -0.166 3.946 4.120 -0.013 0.000 0.253 299 V C 0.978 177.000 176.094 -0.120 0.000 1.072 299 V CA 1.785 64.019 62.300 -0.109 0.000 1.084 299 V CB -0.805 30.973 31.823 -0.076 0.000 0.676 299 V HN 0.594 nan 8.190 nan 0.000 0.469 300 E N -1.995 118.103 120.200 -0.170 0.000 2.458 300 E HA 0.366 4.709 4.350 -0.013 0.000 0.278 300 E C -2.865 173.622 176.600 -0.189 0.000 1.004 300 E CA -2.316 53.998 56.400 -0.143 0.000 0.823 300 E CB 2.077 31.710 29.700 -0.111 0.000 1.396 300 E HN -0.017 nan 8.360 nan 0.000 0.463 301 P HA -0.020 nan 4.420 nan 0.000 0.262 301 P C -1.171 176.006 177.300 -0.204 0.000 1.182 301 P CA 0.259 63.257 63.100 -0.171 0.000 0.761 301 P CB 0.370 32.000 31.700 -0.117 0.000 0.795 302 V N 3.776 123.532 119.914 -0.263 0.000 2.407 302 V HA 0.192 4.304 4.120 -0.013 0.000 0.291 302 V C -0.016 175.966 176.094 -0.187 0.000 1.018 302 V CA -0.383 61.765 62.300 -0.253 0.000 0.842 302 V CB 1.687 33.262 31.823 -0.413 0.000 0.996 302 V HN 0.423 nan 8.190 nan 0.000 0.426 303 D N 4.954 125.282 120.400 -0.119 0.000 2.468 303 D HA 0.222 4.855 4.640 -0.013 0.000 0.218 303 D C 0.020 176.284 176.300 -0.060 0.000 1.155 303 D CA -0.115 53.830 54.000 -0.091 0.000 0.924 303 D CB 0.711 41.472 40.800 -0.064 0.000 1.029 303 D HN 0.440 nan 8.370 nan 0.000 0.515 304 L N 4.093 125.275 121.223 -0.068 0.000 2.448 304 L HA 0.045 4.377 4.340 -0.013 0.000 0.278 304 L C 0.264 177.112 176.870 -0.035 0.000 1.201 304 L CA -0.356 54.463 54.840 -0.035 0.000 1.036 304 L CB 0.008 42.043 42.059 -0.041 0.000 1.325 304 L HN 0.278 nan 8.230 nan 0.000 0.441 305 D N 4.237 124.623 120.400 -0.023 0.000 3.053 305 D HA -0.220 4.412 4.640 -0.013 0.000 0.201 305 D C 0.884 177.174 176.300 -0.017 0.000 1.266 305 D CA 1.103 55.093 54.000 -0.016 0.000 0.637 305 D CB -0.230 40.565 40.800 -0.008 0.000 0.939 305 D HN 0.977 nan 8.370 nan 0.000 0.393 306 G N -0.747 108.040 108.800 -0.023 0.000 1.745 306 G HA2 -0.167 3.785 3.960 -0.013 0.000 0.063 306 G HA3 -0.167 3.785 3.960 -0.013 0.000 0.063 306 G C 0.050 174.936 174.900 -0.024 0.000 1.838 306 G CA -0.038 45.052 45.100 -0.017 0.000 1.210 306 G HN 0.329 nan 8.290 nan 0.000 0.375 307 T N 1.633 116.168 114.554 -0.032 0.000 2.930 307 T HA 0.446 4.788 4.350 -0.013 0.000 0.306 307 T C 0.226 174.864 174.700 -0.104 0.000 1.045 307 T CA 0.229 62.310 62.100 -0.032 0.000 1.134 307 T CB 1.774 70.639 68.868 -0.005 0.000 0.961 307 T HN 0.656 nan 8.240 nan 0.000 0.545 308 V N 5.371 125.226 119.914 -0.099 0.000 2.304 308 V HA 0.286 4.398 4.120 -0.013 0.000 0.269 308 V C 0.376 176.278 176.094 -0.320 0.000 1.036 308 V CA -0.547 61.658 62.300 -0.158 0.000 0.840 308 V CB 0.165 31.942 31.823 -0.076 0.000 1.036 308 V HN 0.738 nan 8.190 nan 0.000 0.466 309 I N 7.735 127.994 120.570 -0.518 0.000 2.337 309 I HA 0.265 4.428 4.170 -0.013 0.000 0.291 309 I C -2.116 173.713 176.117 -0.480 0.000 1.046 309 I CA -1.795 58.976 61.300 -0.881 0.000 1.324 309 I CB 1.343 38.789 38.000 -0.925 0.000 1.409 309 I HN 0.366 nan 8.210 nan 0.000 0.494 310 P HA 0.027 nan 4.420 nan 0.000 0.266 310 P C -0.389 176.820 177.300 -0.151 0.000 1.195 310 P CA -0.211 62.814 63.100 -0.124 0.000 0.768 310 P CB 0.582 32.303 31.700 0.036 0.000 0.838 311 A N 3.011 125.754 122.820 -0.128 0.000 2.511 311 A HA 0.436 4.748 4.320 -0.013 0.000 0.242 311 A C 1.600 179.128 177.584 -0.094 0.000 1.069 311 A CA 0.682 52.640 52.037 -0.132 0.000 0.763 311 A CB -1.273 17.660 19.000 -0.111 0.000 1.001 311 A HN 0.869 nan 8.150 nan 0.000 0.498 312 G N 2.034 110.778 108.800 -0.094 0.000 2.212 312 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.266 312 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.266 312 G C 0.058 174.908 174.900 -0.083 0.000 0.978 312 G CA 0.656 45.685 45.100 -0.119 0.000 0.632 312 G HN 0.873 nan 8.290 nan 0.000 0.537 313 D N 0.549 120.953 120.400 0.008 0.000 2.360 313 D HA 0.518 5.150 4.640 -0.013 0.000 0.242 313 D C 0.675 177.098 176.300 0.205 0.000 1.184 313 D CA 0.640 54.713 54.000 0.121 0.000 0.930 313 D CB 0.523 41.471 40.800 0.247 0.000 1.161 313 D HN 0.038 nan 8.370 nan 0.000 0.447 314 T N 0.785 115.468 114.554 0.216 0.000 2.743 314 T HA 0.413 4.756 4.350 -0.013 0.000 0.293 314 T C -0.404 174.361 174.700 0.108 0.000 0.945 314 T CA -0.546 61.627 62.100 0.122 0.000 1.030 314 T CB 0.547 69.314 68.868 -0.169 0.000 0.912 314 T HN -0.027 nan 8.240 nan 0.000 0.483 315 V N 5.778 125.714 119.914 0.036 0.000 2.459 315 V HA 0.500 4.612 4.120 -0.013 0.000 0.295 315 V C -0.241 175.837 176.094 -0.025 0.000 1.029 315 V CA -0.868 61.481 62.300 0.082 0.000 0.874 315 V CB 1.568 33.491 31.823 0.166 0.000 0.985 315 V HN 0.712 nan 8.190 nan 0.000 0.438 316 L N 5.049 126.276 121.223 0.007 0.000 2.343 316 L HA 0.534 4.866 4.340 -0.013 0.000 0.278 316 L C -0.588 176.244 176.870 -0.064 0.000 0.996 316 L CA -0.784 54.048 54.840 -0.013 0.000 0.831 316 L CB 1.978 44.054 42.059 0.028 0.000 1.232 316 L HN 0.353 nan 8.230 nan 0.000 0.413 317 V N 4.342 124.189 119.914 -0.112 0.000 2.408 317 V HA 0.079 4.191 4.120 -0.013 0.000 0.267 317 V C 0.563 176.546 176.094 -0.184 0.000 1.047 317 V CA -0.456 61.747 62.300 -0.161 0.000 0.937 317 V CB 1.516 33.225 31.823 -0.190 0.000 0.999 317 V HN 0.440 nan 8.190 nan 0.000 0.472 318 V N 7.612 127.380 119.914 -0.244 0.000 2.341 318 V HA 0.062 4.175 4.120 -0.013 0.000 0.248 318 V C 1.470 177.360 176.094 -0.340 0.000 1.107 318 V CA 0.137 62.218 62.300 -0.365 0.000 1.069 318 V CB -0.083 31.358 31.823 -0.638 0.000 1.177 318 V HN 0.772 nan 8.190 nan 0.000 0.492 319 L N 3.087 124.128 121.223 -0.304 0.000 2.187 319 L HA -0.184 4.149 4.340 -0.013 0.000 0.213 319 L C 2.622 179.173 176.870 -0.532 0.000 1.100 319 L CA 1.502 56.098 54.840 -0.407 0.000 0.765 319 L CB -0.652 41.224 42.059 -0.304 0.000 0.904 319 L HN 0.705 nan 8.230 nan 0.000 0.437 320 A N 0.880 123.474 122.820 -0.377 0.000 1.841 320 A HA -0.324 3.988 4.320 -0.013 0.000 0.216 320 A C 2.017 179.455 177.584 -0.243 0.000 1.199 320 A CA 2.309 54.148 52.037 -0.330 0.000 0.621 320 A CB -0.852 17.891 19.000 -0.428 0.000 0.835 320 A HN 0.457 nan 8.150 nan 0.000 0.445 321 D N -0.688 119.569 120.400 -0.239 0.000 2.218 321 D HA 0.025 4.658 4.640 -0.013 0.000 0.204 321 D C 1.869 178.172 176.300 0.006 0.000 0.976 321 D CA 1.337 55.310 54.000 -0.045 0.000 0.853 321 D CB -0.119 40.658 40.800 -0.038 0.000 0.939 321 D HN 0.369 nan 8.370 nan 0.000 0.481 322 A N -0.383 122.386 122.820 -0.085 0.000 1.877 322 A HA -0.180 4.132 4.320 -0.013 0.000 0.216 322 A C 1.851 179.579 177.584 0.239 0.000 1.186 322 A CA 1.579 53.655 52.037 0.065 0.000 0.620 322 A CB -1.024 17.902 19.000 -0.122 0.000 0.822 322 A HN 0.516 nan 8.150 nan 0.000 0.443 323 H N -1.677 117.418 119.070 0.041 0.000 2.559 323 H HA 0.082 4.630 4.556 -0.013 0.000 0.273 323 H C 1.440 176.620 175.328 -0.246 0.000 1.000 323 H CA 0.235 56.122 56.048 -0.269 0.000 1.195 323 H CB 0.317 29.939 29.762 -0.232 0.000 1.368 323 H HN 0.188 nan 8.280 nan 0.000 0.592 324 R N 0.193 120.749 120.500 0.092 0.000 2.397 324 R HA 0.095 4.428 4.340 -0.013 0.000 0.241 324 R C 0.139 176.488 176.300 0.081 0.000 0.914 324 R CA 0.071 56.210 56.100 0.064 0.000 1.071 324 R CB 0.017 30.425 30.300 0.179 0.000 1.116 324 R HN 0.044 nan 8.270 nan 0.000 0.524 325 T N 4.660 119.322 114.554 0.181 0.000 2.771 325 T HA 0.041 4.383 4.350 -0.013 0.000 0.277 325 T C -1.447 173.345 174.700 0.154 0.000 0.919 325 T CA -0.931 61.279 62.100 0.183 0.000 1.163 325 T CB 1.086 70.111 68.868 0.261 0.000 0.876 325 T HN 0.098 nan 8.240 nan 0.000 0.545 326 P HA -0.176 nan 4.420 nan 0.000 0.217 326 P C 1.088 178.402 177.300 0.024 0.000 1.151 326 P CA 1.241 64.370 63.100 0.049 0.000 0.849 326 P CB 0.398 32.119 31.700 0.035 0.000 0.787 327 E N -0.698 119.515 120.200 0.021 0.000 2.209 327 E HA -0.184 4.159 4.350 -0.013 0.000 0.196 327 E C 2.190 178.717 176.600 -0.122 0.000 0.993 327 E CA 1.146 57.532 56.400 -0.023 0.000 0.819 327 E CB -0.476 29.230 29.700 0.010 0.000 0.745 327 E HN 0.098 nan 8.360 nan 0.000 0.477 328 R N -1.048 119.339 120.500 -0.190 0.000 2.279 328 R HA 0.216 4.548 4.340 -0.013 0.000 0.195 328 R C -0.681 175.096 176.300 -0.873 0.000 0.905 328 R CA 0.288 56.033 56.100 -0.592 0.000 1.044 328 R CB 0.537 30.225 30.300 -1.019 0.000 1.056 328 R HN 0.006 nan 8.270 nan 0.000 0.535 329 F N 0.837 120.692 119.950 -0.158 0.000 2.828 329 F HA 0.441 4.961 4.527 -0.013 0.000 0.355 329 F C -2.279 173.474 175.800 -0.078 0.000 1.200 329 F CA -2.895 55.041 58.000 -0.107 0.000 1.062 329 F CB 1.848 40.800 39.000 -0.080 0.000 1.351 329 F HN -0.185 nan 8.300 nan 0.000 0.504 330 P HA -0.027 nan 4.420 nan 0.000 0.264 330 P C -0.005 177.321 177.300 0.044 0.000 1.183 330 P CA 0.559 63.675 63.100 0.027 0.000 0.763 330 P CB 0.451 32.150 31.700 -0.001 0.000 0.807 331 D N 3.286 123.705 120.400 0.032 0.000 2.803 331 D HA -0.143 4.490 4.640 -0.013 0.000 0.233 331 D C -1.135 175.178 176.300 0.021 0.000 1.182 331 D CA 0.224 54.249 54.000 0.042 0.000 0.726 331 D CB -0.335 40.498 40.800 0.055 0.000 0.987 331 D HN 0.314 nan 8.370 nan 0.000 0.412 332 P HA -0.155 nan 4.420 nan 0.000 0.228 332 P C 0.898 178.128 177.300 -0.117 0.000 1.151 332 P CA 1.011 64.044 63.100 -0.112 0.000 0.770 332 P CB 0.100 31.677 31.700 -0.204 0.000 0.786 333 H N -1.290 117.871 119.070 0.151 0.000 2.563 333 H HA 0.174 4.722 4.556 -0.013 0.000 0.264 333 H C 1.135 176.629 175.328 0.276 0.000 0.957 333 H CA -0.020 56.139 56.048 0.185 0.000 1.173 333 H CB 0.216 30.043 29.762 0.107 0.000 1.420 333 H HN 0.179 nan 8.280 nan 0.000 0.551 334 R N 0.844 121.493 120.500 0.249 0.000 2.308 334 R HA 0.064 4.397 4.340 -0.013 0.000 0.305 334 R C -0.941 175.361 176.300 0.004 0.000 1.053 334 R CA -0.511 55.677 56.100 0.147 0.000 0.957 334 R CB 0.231 30.576 30.300 0.076 0.000 1.022 334 R HN -0.096 nan 8.270 nan 0.000 0.461 335 F N 5.271 124.962 119.950 -0.431 0.000 2.451 335 F HA 0.215 4.734 4.527 -0.013 0.000 0.356 335 F C -0.736 174.790 175.800 -0.456 0.000 1.178 335 F CA -0.810 56.677 58.000 -0.855 0.000 1.210 335 F CB 0.105 38.007 39.000 -1.830 0.000 1.504 335 F HN 0.473 nan 8.300 nan 0.000 0.598 336 D N 5.523 125.578 120.400 -0.575 0.000 2.233 336 D HA 0.159 4.792 4.640 -0.013 0.000 0.240 336 D C 1.086 177.036 176.300 -0.583 0.000 1.074 336 D CA -0.331 53.385 54.000 -0.474 0.000 0.838 336 D CB 1.081 41.745 40.800 -0.227 0.000 1.124 336 D HN 0.626 nan 8.370 nan 0.000 0.475 337 I N 0.687 120.919 120.570 -0.563 0.000 3.735 337 I HA 0.193 4.355 4.170 -0.013 0.000 0.310 337 I C 1.105 177.079 176.117 -0.239 0.000 1.270 337 I CA -0.030 61.005 61.300 -0.442 0.000 1.207 337 I CB 0.220 37.992 38.000 -0.380 0.000 1.013 337 I HN 0.077 nan 8.210 nan 0.000 0.452 338 R N 1.524 121.906 120.500 -0.197 0.000 2.419 338 R HA 0.229 4.561 4.340 -0.013 0.000 0.235 338 R C 0.614 176.858 176.300 -0.093 0.000 0.899 338 R CA -0.450 55.578 56.100 -0.120 0.000 1.048 338 R CB 0.225 30.466 30.300 -0.097 0.000 1.182 338 R HN 0.415 nan 8.270 nan 0.000 0.544 339 R N 1.997 122.434 120.500 -0.105 0.000 2.756 339 R HA -0.011 4.322 4.340 -0.013 0.000 0.264 339 R C -0.168 176.115 176.300 -0.028 0.000 1.026 339 R CA -0.099 55.966 56.100 -0.057 0.000 1.121 339 R CB 0.291 30.566 30.300 -0.041 0.000 0.999 339 R HN -0.174 nan 8.270 nan 0.000 0.449 340 D N 1.810 122.204 120.400 -0.010 0.000 2.346 340 D HA -0.040 4.592 4.640 -0.013 0.000 0.260 340 D C 0.341 176.680 176.300 0.065 0.000 1.252 340 D CA 0.370 54.371 54.000 0.002 0.000 0.895 340 D CB 1.082 41.863 40.800 -0.032 0.000 1.097 340 D HN 0.746 nan 8.370 nan 0.000 0.489 341 T N 0.762 115.364 114.554 0.080 0.000 3.022 341 T HA 0.297 4.640 4.350 -0.013 0.000 0.250 341 T C 0.986 175.852 174.700 0.276 0.000 1.060 341 T CA -0.071 62.120 62.100 0.152 0.000 1.013 341 T CB 0.186 69.023 68.868 -0.052 0.000 0.982 341 T HN 0.427 nan 8.240 nan 0.000 0.508 342 A N 0.928 123.863 122.820 0.190 0.000 2.580 342 A HA 0.477 4.790 4.320 -0.013 0.000 0.244 342 A C 1.666 179.380 177.584 0.217 0.000 1.045 342 A CA 0.471 52.632 52.037 0.206 0.000 0.761 342 A CB -1.198 17.862 19.000 0.100 0.000 0.962 342 A HN 1.611 nan 8.150 nan 0.000 0.512 343 G N 1.804 110.760 108.800 0.261 0.000 2.144 343 G HA2 -0.191 3.761 3.960 -0.013 0.000 0.218 343 G HA3 -0.191 3.761 3.960 -0.013 0.000 0.218 343 G C 0.132 175.281 174.900 0.416 0.000 0.988 343 G CA 0.238 45.483 45.100 0.241 0.000 0.659 343 G HN 1.978 nan 8.290 nan 0.000 0.522 344 H N 0.266 119.553 119.070 0.363 0.000 2.722 344 H HA 0.418 4.966 4.556 -0.013 0.000 0.328 344 H C 1.079 176.638 175.328 0.385 0.000 1.067 344 H CA -0.590 55.678 56.048 0.366 0.000 1.447 344 H CB 0.673 30.419 29.762 -0.028 0.000 1.469 344 H HN 0.158 nan 8.280 nan 0.000 0.544 345 L N 3.159 124.697 121.223 0.525 0.000 2.713 345 L HA 0.090 4.422 4.340 -0.013 0.000 0.245 345 L C 2.254 179.284 176.870 0.266 0.000 1.169 345 L CA 0.294 55.306 54.840 0.286 0.000 0.962 345 L CB -0.498 41.629 42.059 0.115 0.000 1.161 345 L HN 0.741 nan 8.230 nan 0.000 0.427 346 A N 0.482 123.461 122.820 0.264 0.000 1.908 346 A HA -0.168 4.145 4.320 -0.013 0.000 0.218 346 A C 1.856 179.361 177.584 -0.131 0.000 1.181 346 A CA 1.631 53.726 52.037 0.096 0.000 0.627 346 A CB -0.533 18.466 19.000 -0.002 0.000 0.818 346 A HN 0.493 nan 8.150 nan 0.000 0.445 347 F N -1.055 118.914 119.950 0.032 0.000 2.727 347 F HA 0.404 4.923 4.527 -0.013 0.000 0.302 347 F C 1.534 177.235 175.800 -0.166 0.000 1.097 347 F CA 0.352 58.253 58.000 -0.164 0.000 1.330 347 F CB 0.310 39.049 39.000 -0.434 0.000 1.084 347 F HN 0.540 nan 8.300 nan 0.000 0.578 348 G N 0.290 109.208 108.800 0.197 0.000 2.548 348 G HA2 -0.092 3.860 3.960 -0.013 0.000 0.208 348 G HA3 -0.092 3.860 3.960 -0.013 0.000 0.208 348 G C -1.581 173.620 174.900 0.501 0.000 1.308 348 G CA -0.600 44.644 45.100 0.240 0.000 0.924 348 G HN 0.458 nan 8.290 nan 0.000 0.540 349 H N -1.077 118.164 119.070 0.286 0.000 3.037 349 H HA 0.700 5.248 4.556 -0.013 0.000 0.336 349 H C 0.449 175.865 175.328 0.147 0.000 1.323 349 H CA 1.871 58.055 56.048 0.227 0.000 1.159 349 H CB 1.329 31.136 29.762 0.075 0.000 1.882 349 H HN 2.729 nan 8.280 nan 0.000 0.535 350 G N 1.199 109.672 108.800 -0.545 0.000 2.627 350 G HA2 -0.202 3.750 3.960 -0.013 0.000 0.214 350 G HA3 -0.202 3.750 3.960 -0.013 0.000 0.214 350 G C 1.185 175.998 174.900 -0.144 0.000 1.331 350 G CA 0.015 44.915 45.100 -0.335 0.000 0.891 350 G HN 1.257 nan 8.290 nan 0.000 0.539 351 I N -2.936 117.538 120.570 -0.161 0.000 2.454 351 I HA -0.023 4.139 4.170 -0.013 0.000 0.254 351 I C 1.634 177.645 176.117 -0.176 0.000 1.156 351 I CA 1.840 63.012 61.300 -0.213 0.000 1.433 351 I CB -0.294 37.436 38.000 -0.451 0.000 1.082 351 I HN 0.475 nan 8.210 nan 0.000 0.432 352 H N 0.907 119.961 119.070 -0.028 0.000 2.555 352 H HA 0.182 4.730 4.556 -0.013 0.000 0.283 352 H C 0.026 175.422 175.328 0.115 0.000 1.037 352 H CA -0.390 55.700 56.048 0.069 0.000 1.169 352 H CB -0.328 29.430 29.762 -0.006 0.000 1.375 352 H HN 0.319 nan 8.280 nan 0.000 0.582 353 F N 1.769 121.754 119.950 0.058 0.000 2.607 353 F HA -0.048 4.471 4.527 -0.013 0.000 0.374 353 F C 0.875 176.700 175.800 0.040 0.000 1.104 353 F CA -0.670 57.361 58.000 0.053 0.000 1.296 353 F CB 0.369 39.375 39.000 0.010 0.000 1.085 353 F HN 0.137 nan 8.300 nan 0.000 0.584 354 C N 8.671 127.590 119.300 -0.635 0.000 2.334 354 C HA -0.055 4.398 4.460 -0.013 0.000 0.395 354 C C 1.891 176.627 174.990 -0.423 0.000 1.507 354 C CA -0.041 58.676 59.018 -0.502 0.000 1.494 354 C CB -1.766 25.632 27.740 -0.570 0.000 2.509 354 C HN 0.969 nan 8.230 nan 0.000 0.599 355 I N 4.430 124.830 120.570 -0.283 0.000 2.876 355 I HA 0.165 4.327 4.170 -0.013 0.000 0.264 355 I C 1.813 177.726 176.117 -0.339 0.000 1.204 355 I CA 1.361 62.503 61.300 -0.264 0.000 1.485 355 I CB -0.099 37.700 38.000 -0.336 0.000 1.103 355 I HN 0.884 nan 8.210 nan 0.000 0.446 356 G N -0.204 108.365 108.800 -0.385 0.000 3.820 356 G HA2 0.348 4.300 3.960 -0.013 0.000 0.293 356 G HA3 0.348 4.300 3.960 -0.013 0.000 0.293 356 G C 1.182 175.912 174.900 -0.283 0.000 1.152 356 G CA 0.416 45.354 45.100 -0.269 0.000 0.921 356 G HN 0.409 nan 8.290 nan 0.000 0.544 357 A N 1.816 124.356 122.820 -0.467 0.000 1.873 357 A HA 0.104 4.416 4.320 -0.013 0.000 0.215 357 A C 0.556 177.929 177.584 -0.352 0.000 1.186 357 A CA 1.377 52.931 52.037 -0.805 0.000 0.616 357 A CB -0.737 17.667 19.000 -0.994 0.000 0.823 357 A HN 0.342 nan 8.150 nan 0.000 0.442 358 P HA -0.145 nan 4.420 nan 0.000 0.215 358 P C 1.647 178.947 177.300 -0.000 0.000 1.157 358 P CA 0.812 63.897 63.100 -0.024 0.000 0.868 358 P CB -0.063 31.654 31.700 0.028 0.000 0.788 359 L N -0.382 120.853 121.223 0.020 0.000 2.046 359 L HA -0.126 4.206 4.340 -0.013 0.000 0.208 359 L C 2.237 179.123 176.870 0.028 0.000 1.077 359 L CA 2.023 56.891 54.840 0.047 0.000 0.747 359 L CB -1.604 40.525 42.059 0.117 0.000 0.896 359 L HN -0.123 nan 8.230 nan 0.000 0.432 360 A N -0.301 122.517 122.820 -0.004 0.000 1.851 360 A HA -0.280 4.033 4.320 -0.013 0.000 0.216 360 A C 2.422 180.070 177.584 0.107 0.000 1.195 360 A CA 2.191 54.261 52.037 0.055 0.000 0.622 360 A CB -0.644 18.395 19.000 0.064 0.000 0.831 360 A HN 0.481 nan 8.150 nan 0.000 0.444 361 R N -1.176 119.391 120.500 0.111 0.000 2.096 361 R HA -0.102 4.230 4.340 -0.013 0.000 0.235 361 R C 2.100 178.452 176.300 0.085 0.000 1.127 361 R CA 1.295 57.478 56.100 0.139 0.000 0.968 361 R CB -0.548 29.842 30.300 0.150 0.000 0.861 361 R HN 0.512 nan 8.270 nan 0.000 0.440 362 L N 1.518 122.775 121.223 0.057 0.000 1.970 362 L HA -0.191 4.142 4.340 -0.013 0.000 0.212 362 L C 1.730 178.621 176.870 0.034 0.000 1.071 362 L CA 1.890 56.754 54.840 0.039 0.000 0.751 362 L CB -0.525 41.550 42.059 0.026 0.000 0.889 362 L HN 0.131 nan 8.230 nan 0.000 0.432 363 E N -0.333 119.887 120.200 0.032 0.000 2.033 363 E HA -0.286 4.056 4.350 -0.013 0.000 0.199 363 E C 2.147 178.766 176.600 0.031 0.000 1.011 363 E CA 1.463 57.875 56.400 0.021 0.000 0.815 363 E CB -0.477 29.231 29.700 0.014 0.000 0.755 363 E HN 0.664 nan 8.360 nan 0.000 0.451 364 A N 1.623 124.475 122.820 0.054 0.000 1.859 364 A HA -0.271 4.042 4.320 -0.013 0.000 0.217 364 A C 2.086 179.702 177.584 0.053 0.000 1.198 364 A CA 1.809 53.884 52.037 0.063 0.000 0.629 364 A CB -0.652 18.405 19.000 0.097 0.000 0.830 364 A HN 0.114 nan 8.150 nan 0.000 0.446 365 R N -0.867 119.668 120.500 0.057 0.000 2.113 365 R HA -0.176 4.157 4.340 -0.013 0.000 0.244 365 R C 2.051 178.368 176.300 0.029 0.000 1.142 365 R CA 1.929 58.056 56.100 0.045 0.000 0.953 365 R CB -0.597 29.731 30.300 0.046 0.000 0.860 365 R HN 0.627 nan 8.270 nan 0.000 0.438 366 I N 0.031 120.614 120.570 0.022 0.000 2.439 366 I HA -0.183 3.979 4.170 -0.013 0.000 0.251 366 I C 2.517 178.636 176.117 0.004 0.000 1.139 366 I CA 0.703 62.008 61.300 0.009 0.000 1.438 366 I CB -0.254 37.748 38.000 0.004 0.000 1.085 366 I HN 0.189 nan 8.210 nan 0.000 0.427 367 A N 0.641 123.466 122.820 0.009 0.000 1.832 367 A HA -0.155 4.158 4.320 -0.013 0.000 0.214 367 A C 2.398 179.986 177.584 0.007 0.000 1.200 367 A CA 1.668 53.708 52.037 0.004 0.000 0.610 367 A CB -1.080 17.927 19.000 0.013 0.000 0.842 367 A HN 0.156 nan 8.150 nan 0.000 0.444 368 V N 0.593 120.520 119.914 0.023 0.000 2.250 368 V HA -0.361 3.752 4.120 -0.013 0.000 0.250 368 V C 2.655 178.757 176.094 0.014 0.000 1.060 368 V CA 2.701 65.018 62.300 0.027 0.000 1.030 368 V CB -0.961 30.887 31.823 0.043 0.000 0.643 368 V HN 0.726 nan 8.190 nan 0.000 0.445 369 R N 0.382 120.889 120.500 0.011 0.000 2.171 369 R HA -0.276 4.056 4.340 -0.013 0.000 0.226 369 R C 2.338 178.632 176.300 -0.010 0.000 1.113 369 R CA 2.440 58.541 56.100 0.002 0.000 0.887 369 R CB -0.907 29.395 30.300 0.002 0.000 0.830 369 R HN 0.429 nan 8.270 nan 0.000 0.432 370 A N 0.805 123.614 122.820 -0.018 0.000 2.023 370 A HA -0.229 4.084 4.320 -0.013 0.000 0.223 370 A C 2.320 179.871 177.584 -0.055 0.000 1.180 370 A CA 2.031 54.046 52.037 -0.036 0.000 0.659 370 A CB -0.747 18.229 19.000 -0.040 0.000 0.817 370 A HN 0.480 nan 8.150 nan 0.000 0.466 371 L N -1.232 119.964 121.223 -0.046 0.000 2.007 371 L HA -0.132 4.200 4.340 -0.013 0.000 0.205 371 L C 2.634 179.478 176.870 -0.044 0.000 1.073 371 L CA 1.220 56.023 54.840 -0.061 0.000 0.744 371 L CB -0.495 41.545 42.059 -0.031 0.000 0.898 371 L HN 0.386 nan 8.230 nan 0.000 0.435 372 L N -0.519 120.696 121.223 -0.013 0.000 2.093 372 L HA -0.215 4.118 4.340 -0.013 0.000 0.208 372 L C 2.491 179.357 176.870 -0.008 0.000 1.085 372 L CA 1.245 56.086 54.840 0.001 0.000 0.755 372 L CB -0.444 41.623 42.059 0.013 0.000 0.904 372 L HN 0.357 nan 8.230 nan 0.000 0.435 373 E N 0.105 120.295 120.200 -0.016 0.000 2.204 373 E HA -0.162 4.181 4.350 -0.013 0.000 0.194 373 E C 2.045 178.627 176.600 -0.030 0.000 0.989 373 E CA 0.850 57.240 56.400 -0.018 0.000 0.824 373 E CB 0.283 29.972 29.700 -0.018 0.000 0.756 373 E HN 0.419 nan 8.360 nan 0.000 0.477 374 R N -1.493 118.974 120.500 -0.055 0.000 2.344 374 R HA 0.223 4.555 4.340 -0.013 0.000 0.209 374 R C 0.132 176.363 176.300 -0.115 0.000 0.886 374 R CA -0.135 55.915 56.100 -0.083 0.000 1.040 374 R CB 0.767 30.999 30.300 -0.113 0.000 1.114 374 R HN 0.001 nan 8.270 nan 0.000 0.547 375 C N 4.706 123.943 119.300 -0.105 0.000 2.135 375 C HA 0.279 4.731 4.460 -0.013 0.000 0.345 375 C C -2.098 172.915 174.990 0.040 0.000 1.067 375 C CA -1.860 57.107 59.018 -0.085 0.000 1.517 375 C CB 0.135 27.820 27.740 -0.091 0.000 1.923 375 C HN 0.200 nan 8.230 nan 0.000 0.466 376 P HA 0.063 nan 4.420 nan 0.000 0.261 376 P C -0.199 177.169 177.300 0.113 0.000 1.203 376 P CA 1.085 64.235 63.100 0.083 0.000 0.767 376 P CB 0.353 32.106 31.700 0.088 0.000 0.785 377 D N -0.372 120.077 120.400 0.083 0.000 2.716 377 D HA -0.178 4.454 4.640 -0.013 0.000 0.239 377 D C 0.378 176.744 176.300 0.110 0.000 1.125 377 D CA 0.461 54.510 54.000 0.081 0.000 0.681 377 D CB -1.562 39.280 40.800 0.071 0.000 1.070 377 D HN 0.318 nan 8.370 nan 0.000 0.432 378 L N 0.214 121.508 121.223 0.118 0.000 2.483 378 L HA 0.418 4.751 4.340 -0.013 0.000 0.275 378 L C 0.308 177.245 176.870 0.112 0.000 1.220 378 L CA 0.684 55.613 54.840 0.149 0.000 0.833 378 L CB 0.793 42.924 42.059 0.120 0.000 1.102 378 L HN 0.365 nan 8.230 nan 0.000 0.490 379 A N 4.243 127.135 122.820 0.120 0.000 2.594 379 A HA 0.441 4.753 4.320 -0.013 0.000 0.296 379 A C -1.204 176.431 177.584 0.085 0.000 1.056 379 A CA -0.819 51.268 52.037 0.083 0.000 0.693 379 A CB 0.364 19.399 19.000 0.058 0.000 1.278 379 A HN 0.685 nan 8.150 nan 0.000 0.408 380 L N 1.803 123.072 121.223 0.076 0.000 2.525 380 L HA 0.073 4.405 4.340 -0.013 0.000 0.278 380 L C 0.428 177.329 176.870 0.051 0.000 1.218 380 L CA 0.220 55.109 54.840 0.081 0.000 0.878 380 L CB 0.479 42.598 42.059 0.101 0.000 1.127 380 L HN 0.819 nan 8.230 nan 0.000 0.492 381 D N 3.661 124.084 120.400 0.039 0.000 3.163 381 D HA 0.328 4.961 4.640 -0.013 0.000 0.284 381 D C -0.725 175.573 176.300 -0.002 0.000 1.368 381 D CA 0.134 54.138 54.000 0.007 0.000 0.895 381 D CB 0.485 41.280 40.800 -0.009 0.000 1.061 381 D HN 0.241 nan 8.370 nan 0.000 0.496 382 V N 0.044 119.963 119.914 0.008 0.000 3.143 382 V HA 0.216 4.329 4.120 -0.013 0.000 0.264 382 V C -1.561 174.544 176.094 0.018 0.000 1.874 382 V CA -0.592 61.707 62.300 -0.001 0.000 0.968 382 V CB 1.747 33.558 31.823 -0.021 0.000 1.351 382 V HN 0.239 nan 8.190 nan 0.000 0.459 383 S N 3.249 118.955 115.700 0.010 0.000 2.480 383 S HA 0.594 5.056 4.470 -0.013 0.000 0.286 383 S C -2.106 172.518 174.600 0.040 0.000 1.180 383 S CA -1.057 57.158 58.200 0.026 0.000 1.075 383 S CB 1.412 64.619 63.200 0.011 0.000 0.996 383 S HN 0.673 nan 8.310 nan 0.000 0.487 384 P HA -0.092 nan 4.420 nan 0.000 0.220 384 P C 1.456 178.798 177.300 0.071 0.000 1.142 384 P CA 1.446 64.630 63.100 0.140 0.000 0.801 384 P CB -0.245 31.601 31.700 0.244 0.000 0.764 385 G N -1.064 107.760 108.800 0.040 0.000 2.511 385 G HA2 -0.146 3.806 3.960 -0.013 0.000 0.217 385 G HA3 -0.146 3.806 3.960 -0.013 0.000 0.217 385 G C 1.477 176.372 174.900 -0.009 0.000 1.133 385 G CA 0.822 45.935 45.100 0.021 0.000 0.792 385 G HN 0.386 nan 8.290 nan 0.000 0.539 386 E N 0.223 120.407 120.200 -0.027 0.000 2.489 386 E HA 0.489 4.831 4.350 -0.013 0.000 0.193 386 E C 0.916 177.456 176.600 -0.099 0.000 1.057 386 E CA -0.310 56.058 56.400 -0.053 0.000 0.866 386 E CB -0.177 29.495 29.700 -0.047 0.000 0.916 386 E HN 0.429 nan 8.360 nan 0.000 0.500 387 L N 0.161 121.313 121.223 -0.119 0.000 2.418 387 L HA 0.480 4.813 4.340 -0.013 0.000 0.265 387 L C -0.261 176.460 176.870 -0.248 0.000 1.143 387 L CA -0.713 53.981 54.840 -0.243 0.000 0.809 387 L CB 1.974 43.825 42.059 -0.346 0.000 1.124 387 L HN 0.084 nan 8.230 nan 0.000 0.456 388 V N 1.512 121.195 119.914 -0.384 0.000 2.409 388 V HA 0.276 4.388 4.120 -0.013 0.000 0.290 388 V C -0.725 175.066 176.094 -0.505 0.000 1.017 388 V CA -0.530 61.559 62.300 -0.353 0.000 0.841 388 V CB 1.310 32.924 31.823 -0.348 0.000 1.003 388 V HN 0.582 nan 8.190 nan 0.000 0.426 389 W N 3.087 124.223 121.300 -0.273 0.000 2.253 389 W HA 0.563 5.215 4.660 -0.013 0.000 0.348 389 W C -0.095 176.244 176.519 -0.299 0.000 1.229 389 W CA -0.300 56.915 57.345 -0.217 0.000 1.335 389 W CB 0.601 30.003 29.460 -0.096 0.000 1.165 389 W HN 0.426 nan 8.180 nan 0.000 0.631 390 Y N 1.679 122.125 120.300 0.243 0.000 2.299 390 Y HA 0.145 4.688 4.550 -0.012 0.000 0.326 390 Y C -1.088 174.926 175.900 0.191 0.000 1.164 390 Y CA -1.605 56.585 58.100 0.150 0.000 1.234 390 Y CB 0.547 39.096 38.460 0.149 0.000 1.219 390 Y HN 0.219 nan 8.280 nan 0.000 0.497 391 P HA -0.188 nan 4.420 nan 0.000 0.215 391 P C 0.003 177.494 177.300 0.318 0.000 1.153 391 P CA 1.099 64.374 63.100 0.292 0.000 0.853 391 P CB 0.125 31.980 31.700 0.257 0.000 0.788 392 N N 0.128 119.033 118.700 0.342 0.000 2.293 392 N HA -0.076 4.657 4.740 -0.013 0.000 0.253 392 N C -1.328 174.351 175.510 0.282 0.000 1.248 392 N CA -0.295 52.931 53.050 0.295 0.000 0.845 392 N CB 0.601 39.257 38.487 0.281 0.000 1.073 392 N HN 0.062 nan 8.380 nan 0.000 0.464 393 P HA -0.023 nan 4.420 nan 0.000 0.226 393 P C 1.462 178.881 177.300 0.199 0.000 1.161 393 P CA 0.806 64.075 63.100 0.281 0.000 0.804 393 P CB 0.433 32.317 31.700 0.308 0.000 0.829 394 M N -0.946 118.762 119.600 0.181 0.000 2.098 394 M HA 0.010 4.482 4.480 -0.013 0.000 0.262 394 M C 1.479 177.852 176.300 0.123 0.000 1.072 394 M CA 1.106 56.486 55.300 0.134 0.000 1.133 394 M CB -0.389 32.286 32.600 0.125 0.000 1.344 394 M HN -0.112 nan 8.290 nan 0.000 0.414 395 I N 0.098 120.763 120.570 0.158 0.000 3.021 395 I HA 0.120 4.282 4.170 -0.013 0.000 0.303 395 I C 0.333 176.573 176.117 0.206 0.000 1.044 395 I CA -0.015 61.390 61.300 0.175 0.000 1.266 395 I CB 1.240 39.357 38.000 0.194 0.000 1.447 395 I HN 0.177 nan 8.210 nan 0.000 0.593 396 R N 2.034 122.678 120.500 0.240 0.000 2.818 396 R HA 0.506 4.839 4.340 -0.013 0.000 0.258 396 R C -0.918 175.665 176.300 0.471 0.000 1.797 396 R CA -0.212 56.065 56.100 0.295 0.000 1.532 396 R CB 0.514 30.910 30.300 0.160 0.000 1.413 396 R HN 0.781 nan 8.270 nan 0.000 0.622 397 G N 1.617 110.742 108.800 0.541 0.000 2.730 397 G HA2 0.583 4.536 3.960 -0.013 0.000 0.289 397 G HA3 0.583 4.536 3.960 -0.013 0.000 0.289 397 G C -1.289 173.808 174.900 0.328 0.000 1.341 397 G CA -0.757 44.613 45.100 0.451 0.000 0.932 397 G HN 0.237 nan 8.290 nan 0.000 0.481 398 L N -0.139 121.031 121.223 -0.088 0.000 2.400 398 L HA 0.465 4.797 4.340 -0.013 0.000 0.264 398 L C 1.795 178.612 176.870 -0.088 0.000 1.061 398 L CA -0.786 53.804 54.840 -0.416 0.000 0.799 398 L CB 1.927 43.537 42.059 -0.748 0.000 1.240 398 L HN 0.729 nan 8.230 nan 0.000 0.461 399 K N 0.459 120.660 120.400 -0.332 0.000 2.166 399 K HA 0.253 4.566 4.320 -0.013 0.000 0.201 399 K C 0.105 176.636 176.600 -0.114 0.000 1.052 399 K CA 0.776 56.947 56.287 -0.192 0.000 0.969 399 K CB 0.474 32.711 32.500 -0.439 0.000 0.761 399 K HN 0.680 nan 8.250 nan 0.000 0.459 400 A N 0.542 123.246 122.820 -0.194 0.000 2.610 400 A HA 0.577 4.889 4.320 -0.013 0.000 0.291 400 A C -2.058 175.420 177.584 -0.178 0.000 1.086 400 A CA -0.733 51.223 52.037 -0.134 0.000 0.677 400 A CB 1.563 20.495 19.000 -0.113 0.000 1.278 400 A HN 0.128 nan 8.150 nan 0.000 0.414 401 L N 1.330 122.493 121.223 -0.100 0.000 2.514 401 L HA 0.514 4.846 4.340 -0.013 0.000 0.257 401 L C -2.849 174.014 176.870 -0.011 0.000 1.101 401 L CA -1.354 53.434 54.840 -0.085 0.000 0.911 401 L CB 1.603 43.630 42.059 -0.054 0.000 1.162 401 L HN 0.340 nan 8.230 nan 0.000 0.477 402 P HA 0.391 nan 4.420 nan 0.000 0.271 402 P C -0.852 176.481 177.300 0.055 0.000 1.216 402 P CA 0.170 63.279 63.100 0.015 0.000 0.771 402 P CB 0.677 32.367 31.700 -0.016 0.000 0.864 403 I N -1.951 118.676 120.570 0.095 0.000 3.102 403 I HA 0.964 5.126 4.170 -0.013 0.000 0.310 403 I C -0.693 175.507 176.117 0.138 0.000 1.246 403 I CA -1.468 59.918 61.300 0.143 0.000 0.979 403 I CB 2.335 40.461 38.000 0.210 0.000 1.267 403 I HN 0.180 nan 8.210 nan 0.000 0.451 404 R N 2.038 122.620 120.500 0.136 0.000 2.740 404 R HA 0.833 5.166 4.340 -0.013 0.000 0.273 404 R C -2.151 174.249 176.300 0.167 0.000 0.998 404 R CA -0.327 55.756 56.100 -0.029 0.000 0.900 404 R CB 1.319 31.550 30.300 -0.115 0.000 1.223 404 R HN 1.055 nan 8.270 nan 0.000 0.466 405 W N -1.267 120.039 121.300 0.010 0.000 3.062 405 W HA 0.838 5.490 4.660 -0.013 0.000 0.336 405 W C 0.226 176.750 176.519 0.008 0.000 1.224 405 W CA -0.532 56.820 57.345 0.011 0.000 1.159 405 W CB 0.664 30.131 29.460 0.012 0.000 1.454 405 W HN 1.067 nan 8.180 nan 0.000 0.569 406 R N 0.000 120.635 120.500 0.226 0.000 2.786 406 R HA 0.000 4.332 4.340 -0.013 0.000 0.208 406 R CA 0.000 56.170 56.100 0.116 0.000 0.921 406 R CB 0.000 30.351 30.300 0.085 0.000 0.687 406 R HN 0.000 nan 8.270 nan 0.000 0.535