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 1oja_1_B DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLI 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.495 175.510 -0.024 0.000 1.280 3 N CA 0.000 52.931 53.050 -0.199 0.000 0.885 3 N CB 0.000 38.414 38.487 -0.121 0.000 1.341 4 K N 1.231 121.638 120.400 0.011 0.000 2.159 4 K HA 0.639 4.959 4.320 -0.000 0.000 0.266 4 K C -0.139 176.499 176.600 0.064 0.000 0.975 4 K CA -0.474 55.836 56.287 0.038 0.000 0.865 4 K CB 2.011 34.519 32.500 0.014 0.000 1.087 4 K HN 0.668 nan 8.250 nan 0.000 0.446 5 C N -1.193 118.149 119.300 0.071 0.000 3.293 5 C HA 0.392 4.852 4.460 -0.000 0.000 0.362 5 C C 0.670 175.695 174.990 0.058 0.000 1.539 5 C CA -0.771 58.288 59.018 0.069 0.000 1.201 5 C CB 0.938 28.733 27.740 0.091 0.000 1.770 5 C HN 0.804 nan 8.230 nan 0.000 0.440 6 D N 0.249 120.686 120.400 0.062 0.000 2.149 6 D HA 0.146 4.786 4.640 -0.000 0.000 0.206 6 D C 0.324 176.688 176.300 0.106 0.000 0.967 6 D CA 1.651 55.697 54.000 0.076 0.000 0.848 6 D CB 0.258 41.102 40.800 0.073 0.000 0.998 6 D HN 0.486 nan 8.370 nan 0.000 0.474 7 V N 1.323 121.290 119.914 0.089 0.000 2.686 7 V HA 0.263 4.383 4.120 -0.000 0.000 0.306 7 V C -0.225 175.900 176.094 0.052 0.000 1.065 7 V CA -0.853 61.502 62.300 0.092 0.000 0.894 7 V CB 2.865 34.732 31.823 0.073 0.000 1.004 7 V HN -0.247 nan 8.190 nan 0.000 0.424 8 V N 5.102 125.041 119.914 0.042 0.000 2.407 8 V HA 0.439 4.559 4.120 -0.000 0.000 0.278 8 V C -0.113 175.973 176.094 -0.014 0.000 1.037 8 V CA -0.435 61.859 62.300 -0.009 0.000 0.900 8 V CB 1.891 33.704 31.823 -0.016 0.000 0.983 8 V HN 0.635 nan 8.190 nan 0.000 0.459 9 V N 6.155 126.045 119.914 -0.040 0.000 2.370 9 V HA 0.352 4.472 4.120 -0.000 0.000 0.283 9 V C -0.035 176.029 176.094 -0.049 0.000 1.023 9 V CA -0.578 61.704 62.300 -0.030 0.000 0.857 9 V CB 1.807 33.615 31.823 -0.025 0.000 0.985 9 V HN 0.598 nan 8.190 nan 0.000 0.443 10 V N 4.557 124.455 119.914 -0.026 0.000 2.368 10 V HA 0.818 4.938 4.120 -0.000 0.000 0.266 10 V C 0.659 176.751 176.094 -0.003 0.000 1.045 10 V CA 0.411 62.695 62.300 -0.027 0.000 0.899 10 V CB 0.523 32.346 31.823 0.001 0.000 1.006 10 V HN 1.277 nan 8.190 nan 0.000 0.470 11 G N 3.672 112.456 108.800 -0.026 0.000 3.225 11 G HA2 0.188 4.148 3.960 -0.000 0.000 0.686 11 G HA3 0.188 4.148 3.960 -0.000 0.000 0.686 11 G C 0.079 174.975 174.900 -0.007 0.000 1.105 11 G CA -0.488 44.609 45.100 -0.005 0.000 0.831 11 G HN 1.254 nan 8.290 nan 0.000 0.578 12 G N 0.866 109.660 108.800 -0.010 0.000 4.291 12 G HA2 0.690 4.650 3.960 -0.000 0.000 0.304 12 G HA3 0.690 4.650 3.960 -0.000 0.000 0.304 12 G C 0.893 175.805 174.900 0.018 0.000 1.264 12 G CA 0.933 46.029 45.100 -0.007 0.000 1.039 12 G HN 1.319 nan 8.290 nan 0.000 0.578 13 G N -0.053 108.770 108.800 0.038 0.000 2.553 13 G HA2 0.322 4.282 3.960 -0.000 0.000 0.278 13 G HA3 0.322 4.282 3.960 -0.000 0.000 0.278 13 G C 1.203 176.126 174.900 0.039 0.000 1.349 13 G CA -0.718 44.414 45.100 0.053 0.000 1.037 13 G HN 0.152 nan 8.290 nan 0.000 0.508 14 I N -0.594 120.001 120.570 0.042 0.000 2.264 14 I HA -0.208 3.962 4.170 -0.000 0.000 0.248 14 I C 3.019 179.157 176.117 0.034 0.000 1.111 14 I CA 1.551 62.868 61.300 0.029 0.000 1.382 14 I CB -0.117 37.904 38.000 0.034 0.000 1.060 14 I HN 0.467 nan 8.210 nan 0.000 0.418 15 S N 0.542 116.275 115.700 0.055 0.000 2.356 15 S HA -0.129 4.341 4.470 -0.000 0.000 0.223 15 S C 2.114 176.738 174.600 0.040 0.000 1.032 15 S CA 1.639 59.875 58.200 0.060 0.000 1.005 15 S CB -0.601 62.654 63.200 0.092 0.000 0.867 15 S HN 0.573 nan 8.310 nan 0.000 0.449 16 G N 1.574 110.396 108.800 0.037 0.000 2.421 16 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.216 16 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.216 16 G C 1.452 176.352 174.900 -0.000 0.000 1.171 16 G CA 1.004 46.115 45.100 0.018 0.000 0.775 16 G HN 0.388 nan 8.290 nan 0.000 0.543 17 M N 1.281 120.880 119.600 -0.003 0.000 2.117 17 M HA 0.041 4.521 4.480 -0.000 0.000 0.262 17 M C 2.993 179.282 176.300 -0.018 0.000 1.065 17 M CA 1.269 56.558 55.300 -0.019 0.000 1.114 17 M CB -1.376 31.210 32.600 -0.023 0.000 1.361 17 M HN 0.318 nan 8.290 nan 0.000 0.408 18 A N 0.135 122.951 122.820 -0.007 0.000 1.902 18 A HA 0.023 4.343 4.320 -0.000 0.000 0.217 18 A C 2.460 180.039 177.584 -0.008 0.000 1.181 18 A CA 2.113 54.146 52.037 -0.007 0.000 0.623 18 A CB -0.931 18.071 19.000 0.003 0.000 0.818 18 A HN 0.470 nan 8.150 nan 0.000 0.443 19 A N -0.035 122.780 122.820 -0.007 0.000 1.877 19 A HA 0.127 4.447 4.320 -0.000 0.000 0.216 19 A C 2.533 180.109 177.584 -0.013 0.000 1.186 19 A CA 2.276 54.303 52.037 -0.017 0.000 0.620 19 A CB -1.110 17.881 19.000 -0.014 0.000 0.822 19 A HN 1.083 nan 8.150 nan 0.000 0.443 20 A N -0.335 122.480 122.820 -0.009 0.000 1.902 20 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 20 A C 2.143 179.739 177.584 0.020 0.000 1.181 20 A CA 2.046 54.082 52.037 -0.002 0.000 0.623 20 A CB -0.469 18.518 19.000 -0.021 0.000 0.818 20 A HN 0.582 nan 8.150 nan 0.000 0.443 21 K N -0.428 119.973 120.400 0.002 0.000 2.026 21 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 21 K C 1.986 178.622 176.600 0.060 0.000 1.048 21 K CA 1.527 57.828 56.287 0.024 0.000 0.929 21 K CB -0.315 32.182 32.500 -0.006 0.000 0.713 21 K HN 0.446 nan 8.250 nan 0.000 0.439 22 L N 1.125 122.361 121.223 0.022 0.000 2.046 22 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 22 L C 2.173 179.048 176.870 0.010 0.000 1.077 22 L CA 1.185 56.030 54.840 0.008 0.000 0.747 22 L CB -0.136 41.911 42.059 -0.019 0.000 0.896 22 L HN 0.253 nan 8.230 nan 0.000 0.432 23 L N -1.145 120.085 121.223 0.012 0.000 2.056 23 L HA -0.261 4.079 4.340 -0.000 0.000 0.207 23 L C 2.595 179.486 176.870 0.035 0.000 1.078 23 L CA 1.509 56.352 54.840 0.005 0.000 0.749 23 L CB -0.828 41.230 42.059 -0.000 0.000 0.901 23 L HN 0.412 nan 8.230 nan 0.000 0.433 24 H N 0.228 119.285 119.070 -0.022 0.000 2.352 24 H HA -0.200 4.356 4.556 -0.000 0.000 0.299 24 H C 1.795 177.114 175.328 -0.015 0.000 1.097 24 H CA 2.029 58.068 56.048 -0.016 0.000 1.311 24 H CB 0.048 29.801 29.762 -0.015 0.000 1.377 24 H HN 0.214 nan 8.280 nan 0.000 0.504 25 D N -0.730 119.685 120.400 0.025 0.000 2.219 25 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 25 D C 2.144 178.400 176.300 -0.073 0.000 0.970 25 D CA 1.358 55.339 54.000 -0.032 0.000 0.851 25 D CB -0.361 40.457 40.800 0.029 0.000 0.943 25 D HN 0.528 nan 8.370 nan 0.000 0.488 26 S N -1.099 114.566 115.700 -0.059 0.000 2.593 26 S HA 0.252 4.722 4.470 -0.000 0.000 0.217 26 S C 1.608 176.165 174.600 -0.072 0.000 0.966 26 S CA 0.767 58.933 58.200 -0.056 0.000 0.914 26 S CB 0.377 63.551 63.200 -0.043 0.000 0.776 26 S HN 0.275 nan 8.310 nan 0.000 0.523 27 G N 0.469 109.201 108.800 -0.114 0.000 2.159 27 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.227 27 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.227 27 G C -0.125 174.728 174.900 -0.079 0.000 0.986 27 G CA 0.042 45.072 45.100 -0.116 0.000 0.651 27 G HN 0.509 nan 8.290 nan 0.000 0.523 28 L N 0.636 121.827 121.223 -0.054 0.000 2.399 28 L HA 0.423 4.763 4.340 -0.000 0.000 0.266 28 L C 0.165 177.041 176.870 0.011 0.000 1.114 28 L CA -1.036 53.796 54.840 -0.012 0.000 0.804 28 L CB 0.596 42.657 42.059 0.003 0.000 1.146 28 L HN 0.003 nan 8.230 nan 0.000 0.451 29 N N 1.979 120.699 118.700 0.032 0.000 2.406 29 N HA 0.274 5.014 4.740 -0.000 0.000 0.251 29 N C -0.657 174.894 175.510 0.068 0.000 1.069 29 N CA -0.097 52.987 53.050 0.058 0.000 0.947 29 N CB 1.556 40.073 38.487 0.050 0.000 1.111 29 N HN 0.363 nan 8.380 nan 0.000 0.497 30 V N 0.203 120.168 119.914 0.084 0.000 2.715 30 V HA 0.745 4.865 4.120 -0.000 0.000 0.310 30 V C -0.099 176.017 176.094 0.037 0.000 1.054 30 V CA -0.714 61.621 62.300 0.058 0.000 0.928 30 V CB 1.993 33.849 31.823 0.054 0.000 1.007 30 V HN 0.159 nan 8.190 nan 0.000 0.437 31 V N 3.555 123.471 119.914 0.003 0.000 2.709 31 V HA 0.563 4.683 4.120 -0.000 0.000 0.308 31 V C -0.427 175.608 176.094 -0.098 0.000 1.062 31 V CA -0.521 61.751 62.300 -0.048 0.000 0.901 31 V CB 2.190 33.974 31.823 -0.064 0.000 1.003 31 V HN 0.852 nan 8.190 nan 0.000 0.425 32 V N 5.999 125.846 119.914 -0.112 0.000 2.370 32 V HA 0.476 4.596 4.120 -0.000 0.000 0.283 32 V C -0.294 175.699 176.094 -0.169 0.000 1.023 32 V CA -0.462 61.769 62.300 -0.115 0.000 0.857 32 V CB 1.537 33.313 31.823 -0.077 0.000 0.985 32 V HN 0.609 nan 8.190 nan 0.000 0.443 33 L N 4.527 125.635 121.223 -0.193 0.000 2.276 33 L HA 0.613 4.953 4.340 -0.000 0.000 0.286 33 L C -0.219 176.561 176.870 -0.150 0.000 1.024 33 L CA -0.376 54.330 54.840 -0.223 0.000 0.826 33 L CB 1.463 43.350 42.059 -0.287 0.000 1.211 33 L HN 0.617 nan 8.230 nan 0.000 0.422 34 E N 2.364 122.481 120.200 -0.138 0.000 2.176 34 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 34 E C 0.310 176.801 176.600 -0.183 0.000 0.893 34 E CA -0.329 55.993 56.400 -0.129 0.000 0.761 34 E CB 2.061 31.709 29.700 -0.086 0.000 1.133 34 E HN 0.552 nan 8.360 nan 0.000 0.409 35 A N 5.472 128.118 122.820 -0.290 0.000 1.902 35 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 35 A C 1.090 178.445 177.584 -0.381 0.000 1.181 35 A CA 0.990 52.722 52.037 -0.508 0.000 0.623 35 A CB -0.199 18.099 19.000 -1.170 0.000 0.818 35 A HN 0.610 nan 8.150 nan 0.000 0.443 36 R N -0.075 120.280 120.500 -0.243 0.000 2.580 36 R HA 0.227 4.567 4.340 -0.000 0.000 0.267 36 R C 0.160 176.422 176.300 -0.064 0.000 1.125 36 R CA 0.172 56.211 56.100 -0.102 0.000 1.188 36 R CB 0.119 30.399 30.300 -0.033 0.000 1.155 36 R HN 0.469 nan 8.270 nan 0.000 0.586 37 D N 0.327 120.709 120.400 -0.030 0.000 2.325 37 D HA -0.030 4.610 4.640 -0.000 0.000 0.234 37 D C -0.077 176.223 176.300 0.001 0.000 1.122 37 D CA 0.070 54.062 54.000 -0.014 0.000 0.850 37 D CB -0.015 40.782 40.800 -0.004 0.000 0.921 37 D HN 0.435 nan 8.370 nan 0.000 0.513 38 R N -1.229 119.273 120.500 0.004 0.000 2.764 38 R HA 0.590 4.930 4.340 -0.000 0.000 0.270 38 R C -0.609 175.710 176.300 0.032 0.000 1.014 38 R CA -1.095 55.025 56.100 0.034 0.000 0.904 38 R CB 1.195 31.540 30.300 0.074 0.000 1.236 38 R HN -0.101 nan 8.270 nan 0.000 0.466 39 V N -1.734 118.206 119.914 0.045 0.000 3.262 39 V HA 0.850 4.970 4.120 -0.000 0.000 0.313 39 V C 0.947 177.093 176.094 0.088 0.000 1.070 39 V CA 0.410 62.735 62.300 0.043 0.000 1.049 39 V CB 0.762 32.595 31.823 0.017 0.000 1.157 39 V HN 1.191 nan 8.190 nan 0.000 0.454 40 G N -0.985 107.864 108.800 0.083 0.000 2.339 40 G HA2 0.145 4.105 3.960 -0.000 0.000 0.209 40 G HA3 0.145 4.105 3.960 -0.000 0.000 0.209 40 G C 1.645 176.630 174.900 0.141 0.000 1.015 40 G CA 0.768 45.937 45.100 0.115 0.000 0.635 40 G HN 2.651 nan 8.290 nan 0.000 0.499 41 G N 0.542 109.438 108.800 0.160 0.000 2.620 41 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.315 41 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.315 41 G C 0.929 175.985 174.900 0.260 0.000 1.179 41 G CA 1.433 46.644 45.100 0.185 0.000 0.971 41 G HN 1.194 nan 8.290 nan 0.000 0.544 42 R N 1.818 122.378 120.500 0.101 0.000 2.323 42 R HA 0.225 4.565 4.340 -0.000 0.000 0.198 42 R C 1.078 177.268 176.300 -0.182 0.000 0.988 42 R CA 1.036 57.019 56.100 -0.196 0.000 1.041 42 R CB -0.133 30.024 30.300 -0.239 0.000 0.926 42 R HN 0.714 nan 8.270 nan 0.000 0.476 43 T N -2.350 112.250 114.554 0.076 0.000 2.867 43 T HA 0.361 4.711 4.350 -0.000 0.000 0.282 43 T C -0.928 173.996 174.700 0.374 0.000 1.000 43 T CA -0.623 61.574 62.100 0.161 0.000 1.042 43 T CB 1.591 70.521 68.868 0.103 0.000 0.973 43 T HN 0.109 nan 8.240 nan 0.000 0.465 44 Y N 1.105 121.552 120.300 0.246 0.000 2.313 44 Y HA 0.429 4.979 4.550 -0.000 0.000 0.320 44 Y C -1.245 174.770 175.900 0.192 0.000 1.171 44 Y CA -0.809 57.437 58.100 0.244 0.000 1.093 44 Y CB 1.506 40.177 38.460 0.352 0.000 1.224 44 Y HN 0.886 nan 8.280 nan 0.000 0.421 45 T N 7.769 122.161 114.554 -0.271 0.000 2.756 45 T HA 0.444 4.794 4.350 -0.000 0.000 0.290 45 T C -0.990 173.399 174.700 -0.518 0.000 0.985 45 T CA -0.403 61.531 62.100 -0.276 0.000 0.955 45 T CB 0.662 69.477 68.868 -0.088 0.000 0.930 45 T HN 0.571 nan 8.240 nan 0.000 0.451 46 L N 4.456 125.389 121.223 -0.482 0.000 2.292 46 L HA 0.688 5.028 4.340 -0.000 0.000 0.284 46 L C -0.385 176.416 176.870 -0.116 0.000 1.065 46 L CA -0.238 54.391 54.840 -0.352 0.000 0.806 46 L CB 0.628 42.550 42.059 -0.228 0.000 1.175 46 L HN 0.422 nan 8.230 nan 0.000 0.431 47 R N 3.529 123.987 120.500 -0.070 0.000 2.494 47 R HA 0.671 5.011 4.340 -0.000 0.000 0.305 47 R C -1.046 175.232 176.300 -0.036 0.000 0.959 47 R CA -0.579 55.503 56.100 -0.030 0.000 0.864 47 R CB 1.341 31.634 30.300 -0.011 0.000 1.159 47 R HN 0.903 nan 8.270 nan 0.000 0.446 48 N N -1.365 117.297 118.700 -0.064 0.000 3.020 48 N HA 0.024 4.764 4.740 -0.000 0.000 0.248 48 N C -0.210 175.237 175.510 -0.104 0.000 1.480 48 N CA -0.962 52.046 53.050 -0.070 0.000 0.874 48 N CB 0.735 39.186 38.487 -0.061 0.000 1.433 48 N HN 0.409 nan 8.380 nan 0.000 0.530 49 Q N -0.450 119.298 119.800 -0.087 0.000 2.224 49 Q HA -0.026 4.313 4.340 -0.000 0.000 0.203 49 Q C 0.490 176.445 176.000 -0.075 0.000 0.970 49 Q CA 1.106 56.874 55.803 -0.059 0.000 0.865 49 Q CB 0.074 28.789 28.738 -0.039 0.000 0.922 49 Q HN 0.495 nan 8.270 nan 0.000 0.445 50 K N 0.070 120.328 120.400 -0.236 0.000 2.155 50 K HA -0.068 4.252 4.320 -0.000 0.000 0.203 50 K C 1.986 178.383 176.600 -0.339 0.000 1.052 50 K CA 1.374 57.419 56.287 -0.402 0.000 0.948 50 K CB 0.164 32.067 32.500 -0.995 0.000 0.728 50 K HN 0.334 nan 8.250 nan 0.000 0.448 51 V N -2.924 116.758 119.914 -0.387 0.000 3.645 51 V HA 0.227 4.347 4.120 -0.000 0.000 0.275 51 V C 1.387 177.092 176.094 -0.648 0.000 1.356 51 V CA 0.572 62.605 62.300 -0.446 0.000 1.051 51 V CB 0.206 31.799 31.823 -0.384 0.000 0.828 51 V HN 0.243 nan 8.190 nan 0.000 0.441 52 K N 0.544 120.623 120.400 -0.534 0.000 10.883 52 K HA -0.302 4.018 4.320 -0.000 0.000 0.526 52 K C 0.140 176.629 176.600 -0.185 0.000 0.382 52 K CA 2.534 58.542 56.287 -0.465 0.000 1.943 52 K CB -1.448 30.547 32.500 -0.843 0.000 0.766 52 K HN 0.954 nan 8.250 nan 0.000 1.214 53 Y N -1.927 118.218 120.300 -0.258 0.000 2.571 53 Y HA 0.733 5.283 4.550 -0.000 0.000 0.341 53 Y C -1.219 174.639 175.900 -0.070 0.000 1.076 53 Y CA -0.767 57.249 58.100 -0.141 0.000 1.029 53 Y CB 2.044 40.440 38.460 -0.107 0.000 1.308 53 Y HN 0.014 nan 8.280 nan 0.000 0.461 54 V N 2.288 122.267 119.914 0.108 0.000 2.777 54 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 54 V C -1.596 174.559 176.094 0.103 0.000 1.112 54 V CA -0.637 61.729 62.300 0.110 0.000 0.917 54 V CB 1.987 33.895 31.823 0.141 0.000 1.018 54 V HN 0.923 nan 8.190 nan 0.000 0.426 55 D N 5.674 126.147 120.400 0.123 0.000 2.338 55 D HA 0.293 4.933 4.640 -0.000 0.000 0.255 55 D C 0.853 177.237 176.300 0.141 0.000 1.237 55 D CA 0.214 54.271 54.000 0.095 0.000 0.883 55 D CB 1.821 42.648 40.800 0.045 0.000 1.087 55 D HN 0.519 nan 8.370 nan 0.000 0.485 56 L N 1.521 122.878 121.223 0.223 0.000 2.529 56 L HA 0.194 4.534 4.340 -0.000 0.000 0.223 56 L C 1.565 178.831 176.870 0.660 0.000 1.113 56 L CA 0.104 55.178 54.840 0.390 0.000 0.861 56 L CB 0.317 42.624 42.059 0.414 0.000 1.012 56 L HN 0.317 nan 8.230 nan 0.000 0.461 57 G N -0.778 108.344 108.800 0.536 0.000 3.099 57 G HA2 0.424 4.384 3.960 -0.000 0.000 0.151 57 G HA3 0.424 4.384 3.960 -0.000 0.000 0.151 57 G C -0.125 174.803 174.900 0.048 0.000 1.265 57 G CA -0.064 45.176 45.100 0.233 0.000 0.981 57 G HN 0.103 nan 8.290 nan 0.000 0.601 58 G N -0.898 107.855 108.800 -0.079 0.000 2.353 58 G HA2 0.362 4.322 3.960 -0.000 0.000 0.239 58 G HA3 0.362 4.322 3.960 -0.000 0.000 0.239 58 G C 0.544 175.404 174.900 -0.066 0.000 1.295 58 G CA 0.869 45.920 45.100 -0.081 0.000 0.884 58 G HN 0.790 nan 8.290 nan 0.000 0.537 59 S N 1.166 116.755 115.700 -0.185 0.000 3.084 59 S HA 0.208 4.678 4.470 -0.000 0.000 0.262 59 S C 0.083 174.421 174.600 -0.438 0.000 1.081 59 S CA -0.311 57.676 58.200 -0.356 0.000 0.855 59 S CB 0.067 62.858 63.200 -0.681 0.000 0.857 59 S HN 0.498 nan 8.310 nan 0.000 0.449 60 Y N 2.608 122.861 120.300 -0.077 0.000 2.299 60 Y HA 0.558 5.108 4.550 -0.000 0.000 0.326 60 Y C 0.262 176.027 175.900 -0.226 0.000 1.164 60 Y CA -0.544 57.459 58.100 -0.163 0.000 1.234 60 Y CB 1.326 39.731 38.460 -0.092 0.000 1.219 60 Y HN 0.118 nan 8.280 nan 0.000 0.497 61 V N -0.308 119.481 119.914 -0.208 0.000 3.102 61 V HA 1.105 5.225 4.120 -0.000 0.000 0.312 61 V C -0.310 175.594 176.094 -0.317 0.000 1.135 61 V CA -0.546 61.558 62.300 -0.327 0.000 1.022 61 V CB 1.675 33.232 31.823 -0.443 0.000 1.056 61 V HN 0.938 nan 8.190 nan 0.000 0.436 62 G N 0.190 108.761 108.800 -0.382 0.000 2.606 62 G HA2 0.702 4.662 3.960 -0.000 0.000 0.300 62 G HA3 0.702 4.662 3.960 -0.000 0.000 0.300 62 G C -3.455 171.282 174.900 -0.271 0.000 1.360 62 G CA -1.110 43.815 45.100 -0.291 0.000 0.783 62 G HN 0.718 nan 8.290 nan 0.000 0.484 63 P HA 0.124 nan 4.420 nan 0.000 0.265 63 P C 0.802 178.086 177.300 -0.027 0.000 1.187 63 P CA 1.959 65.016 63.100 -0.072 0.000 0.766 63 P CB 0.863 32.551 31.700 -0.020 0.000 0.820 64 T N -1.463 113.104 114.554 0.021 0.000 6.424 64 T HA -0.248 4.102 4.350 -0.000 0.000 0.279 64 T C 0.215 174.941 174.700 0.042 0.000 2.176 64 T CA 0.962 63.150 62.100 0.146 0.000 3.628 64 T CB -2.690 66.395 68.868 0.362 0.000 1.165 64 T HN 0.588 nan 8.240 nan 0.000 1.080 65 Q N 1.333 120.979 119.800 -0.256 0.000 3.091 65 Q HA 0.379 4.719 4.340 -0.000 0.000 0.301 65 Q C 0.863 176.761 176.000 -0.172 0.000 1.337 65 Q CA -0.489 55.061 55.803 -0.423 0.000 1.083 65 Q CB 0.245 28.544 28.738 -0.732 0.000 1.477 65 Q HN 0.488 nan 8.270 nan 0.000 0.537 66 N N 0.903 119.574 118.700 -0.048 0.000 2.354 66 N HA -0.061 4.679 4.740 -0.000 0.000 0.179 66 N C 1.241 176.758 175.510 0.011 0.000 1.021 66 N CA 0.760 53.809 53.050 -0.002 0.000 0.887 66 N CB 0.277 38.788 38.487 0.040 0.000 0.974 66 N HN 0.386 nan 8.380 nan 0.000 0.437 67 R N 0.572 121.081 120.500 0.016 0.000 2.066 67 R HA -0.004 4.336 4.340 -0.000 0.000 0.232 67 R C 2.051 178.363 176.300 0.020 0.000 1.131 67 R CA 0.777 56.893 56.100 0.027 0.000 0.955 67 R CB -0.380 29.948 30.300 0.046 0.000 0.851 67 R HN 0.094 nan 8.270 nan 0.000 0.432 68 I N 1.258 121.835 120.570 0.011 0.000 2.315 68 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 68 I C 1.827 178.008 176.117 0.106 0.000 1.117 68 I CA 1.363 62.695 61.300 0.052 0.000 1.404 68 I CB -0.070 37.970 38.000 0.067 0.000 1.071 68 I HN 0.099 nan 8.210 nan 0.000 0.419 69 L N 0.196 121.465 121.223 0.077 0.000 2.046 69 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 69 L C 2.756 179.671 176.870 0.074 0.000 1.077 69 L CA 1.365 56.268 54.840 0.105 0.000 0.747 69 L CB -0.841 41.235 42.059 0.028 0.000 0.896 69 L HN 0.266 nan 8.230 nan 0.000 0.432 70 R N 0.700 121.224 120.500 0.039 0.000 2.066 70 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 70 R C 2.307 178.613 176.300 0.010 0.000 1.131 70 R CA 1.600 57.715 56.100 0.024 0.000 0.955 70 R CB -0.604 29.709 30.300 0.021 0.000 0.851 70 R HN 0.243 nan 8.270 nan 0.000 0.432 71 L N 1.222 122.446 121.223 0.002 0.000 2.017 71 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 71 L C 2.432 179.264 176.870 -0.064 0.000 1.073 71 L CA 2.366 57.191 54.840 -0.026 0.000 0.745 71 L CB -0.889 41.153 42.059 -0.028 0.000 0.894 71 L HN 0.246 nan 8.230 nan 0.000 0.432 72 A N -0.705 122.063 122.820 -0.087 0.000 1.902 72 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 72 A C 2.466 179.990 177.584 -0.100 0.000 1.181 72 A CA 1.963 53.876 52.037 -0.206 0.000 0.623 72 A CB -0.656 18.112 19.000 -0.387 0.000 0.818 72 A HN 0.515 nan 8.150 nan 0.000 0.443 73 K N -0.300 120.094 120.400 -0.010 0.000 2.063 73 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 73 K C 2.081 178.672 176.600 -0.015 0.000 1.048 73 K CA 1.743 58.035 56.287 0.008 0.000 0.928 73 K CB -0.185 32.332 32.500 0.029 0.000 0.713 73 K HN 0.634 nan 8.250 nan 0.000 0.442 74 E N 0.461 120.649 120.200 -0.020 0.000 2.153 74 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 74 E C 1.647 178.226 176.600 -0.035 0.000 0.988 74 E CA 0.889 57.277 56.400 -0.021 0.000 0.811 74 E CB 0.027 29.717 29.700 -0.017 0.000 0.746 74 E HN 0.354 nan 8.360 nan 0.000 0.466 75 L N -0.686 120.502 121.223 -0.060 0.000 2.599 75 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 75 L C 1.350 178.177 176.870 -0.073 0.000 1.141 75 L CA 0.463 55.258 54.840 -0.075 0.000 0.877 75 L CB 0.230 42.222 42.059 -0.112 0.000 1.009 75 L HN 0.386 nan 8.230 nan 0.000 0.447 76 G N 0.140 108.907 108.800 -0.056 0.000 2.131 76 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.223 76 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.223 76 G C 0.085 174.959 174.900 -0.043 0.000 0.990 76 G CA -0.376 44.700 45.100 -0.040 0.000 0.671 76 G HN 0.187 nan 8.290 nan 0.000 0.521 77 L N -0.083 121.102 121.223 -0.064 0.000 2.399 77 L HA 0.735 5.075 4.340 -0.000 0.000 0.265 77 L C 0.621 177.533 176.870 0.068 0.000 1.089 77 L CA -0.671 54.141 54.840 -0.046 0.000 0.802 77 L CB 1.038 42.970 42.059 -0.213 0.000 1.180 77 L HN 0.192 nan 8.230 nan 0.000 0.454 78 E N -0.153 120.132 120.200 0.141 0.000 2.336 78 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 78 E C -0.985 175.772 176.600 0.261 0.000 0.906 78 E CA -0.721 55.782 56.400 0.172 0.000 0.781 78 E CB 2.465 32.235 29.700 0.117 0.000 1.261 78 E HN 0.668 nan 8.360 nan 0.000 0.436 79 T N -1.449 113.204 114.554 0.166 0.000 2.948 79 T HA 0.645 4.995 4.350 -0.000 0.000 0.285 79 T C -0.735 174.052 174.700 0.144 0.000 1.019 79 T CA -0.707 61.426 62.100 0.054 0.000 1.013 79 T CB 0.712 69.486 68.868 -0.157 0.000 1.117 79 T HN 0.538 nan 8.240 nan 0.000 0.533 80 Y N -1.624 118.671 120.300 -0.009 0.000 2.609 80 Y HA 0.751 5.301 4.550 0.000 0.000 0.342 80 Y C -0.796 175.103 175.900 -0.002 0.000 1.058 80 Y CA -1.573 56.534 58.100 0.011 0.000 1.055 80 Y CB 1.354 39.842 38.460 0.047 0.000 1.292 80 Y HN 0.607 nan 8.280 nan 0.000 0.476 81 K N 1.967 122.414 120.400 0.079 0.000 2.234 81 K HA 0.455 4.775 4.320 -0.000 0.000 0.282 81 K C -0.857 175.758 176.600 0.025 0.000 1.039 81 K CA -0.830 55.444 56.287 -0.021 0.000 0.928 81 K CB 1.736 34.252 32.500 0.026 0.000 1.039 81 K HN 0.561 nan 8.250 nan 0.000 0.470 82 V N 3.208 123.082 119.914 -0.066 0.000 2.673 82 V HA -0.106 4.014 4.120 -0.000 0.000 0.303 82 V C 0.540 176.661 176.094 0.046 0.000 1.046 82 V CA -0.153 62.158 62.300 0.018 0.000 1.126 82 V CB 0.302 32.111 31.823 -0.024 0.000 0.934 82 V HN 0.729 nan 8.190 nan 0.000 0.487 83 N N 3.935 122.691 118.700 0.093 0.000 2.434 83 N HA 0.015 4.755 4.740 -0.000 0.000 0.268 83 N C 0.246 175.768 175.510 0.020 0.000 1.256 83 N CA 0.521 53.616 53.050 0.075 0.000 0.914 83 N CB 0.286 38.845 38.487 0.120 0.000 1.088 83 N HN 0.826 nan 8.380 nan 0.000 0.478 84 E N 2.929 123.130 120.200 0.001 0.000 3.191 84 E HA 0.114 4.464 4.350 -0.000 0.000 0.192 84 E C 0.259 176.844 176.600 -0.026 0.000 0.972 84 E CA -0.058 56.323 56.400 -0.032 0.000 1.266 84 E CB 0.257 29.922 29.700 -0.058 0.000 1.076 84 E HN 0.444 nan 8.360 nan 0.000 0.462 85 V N 0.482 120.394 119.914 -0.002 0.000 2.323 85 V HA -0.143 3.977 4.120 -0.000 0.000 0.244 85 V C 0.965 177.054 176.094 -0.008 0.000 1.041 85 V CA 1.583 63.881 62.300 -0.004 0.000 1.025 85 V CB -0.100 31.726 31.823 0.004 0.000 0.656 85 V HN 0.248 nan 8.190 nan 0.000 0.451 86 E N -0.660 119.542 120.200 0.004 0.000 3.099 86 E HA 0.388 4.738 4.350 -0.000 0.000 0.259 86 E C 0.208 176.806 176.600 -0.004 0.000 1.274 86 E CA -0.628 55.779 56.400 0.011 0.000 1.111 86 E CB 0.233 29.955 29.700 0.037 0.000 1.327 86 E HN 0.298 nan 8.360 nan 0.000 0.652 87 R N 0.237 120.758 120.500 0.035 0.000 2.490 87 R HA 0.281 4.621 4.340 -0.000 0.000 0.280 87 R C -0.488 175.748 176.300 -0.107 0.000 1.077 87 R CA -0.573 55.517 56.100 -0.018 0.000 1.065 87 R CB 0.131 30.492 30.300 0.102 0.000 1.003 87 R HN 0.173 nan 8.270 nan 0.000 0.470 88 L N 2.673 123.643 121.223 -0.422 0.000 2.466 88 L HA 0.340 4.680 4.340 -0.000 0.000 0.257 88 L C 0.236 176.843 176.870 -0.440 0.000 1.189 88 L CA 0.283 54.778 54.840 -0.576 0.000 0.813 88 L CB 0.423 41.834 42.059 -1.080 0.000 1.118 88 L HN 0.463 nan 8.230 nan 0.000 0.471 89 I N 0.308 120.781 120.570 -0.162 0.000 2.509 89 I HA 0.281 4.451 4.170 -0.000 0.000 0.293 89 I C -0.552 175.860 176.117 0.491 0.000 1.020 89 I CA -0.494 60.878 61.300 0.120 0.000 1.088 89 I CB 1.557 39.486 38.000 -0.118 0.000 1.267 89 I HN 0.542 nan 8.210 nan 0.000 0.430 90 H N 5.206 124.606 119.070 0.549 0.000 2.551 90 H HA 0.325 4.881 4.556 -0.000 0.000 0.321 90 H C -1.322 174.256 175.328 0.417 0.000 1.028 90 H CA -0.751 55.560 56.048 0.439 0.000 1.215 90 H CB 0.926 30.864 29.762 0.294 0.000 1.414 90 H HN 0.615 nan 8.280 nan 0.000 0.480 91 H N 4.660 123.880 119.070 0.249 0.000 2.556 91 H HA 0.381 4.937 4.556 -0.000 0.000 0.310 91 H C -1.353 173.989 175.328 0.023 0.000 1.057 91 H CA -0.445 55.678 56.048 0.125 0.000 1.264 91 H CB 0.866 30.696 29.762 0.113 0.000 1.404 91 H HN 0.360 nan 8.280 nan 0.000 0.462 92 V N 5.492 125.285 119.914 -0.201 0.000 2.808 92 V HA 0.303 4.423 4.120 -0.000 0.000 0.308 92 V C -0.533 175.504 176.094 -0.096 0.000 1.099 92 V CA -0.901 61.307 62.300 -0.153 0.000 0.920 92 V CB 1.533 33.165 31.823 -0.319 0.000 1.014 92 V HN 1.041 nan 8.190 nan 0.000 0.425 93 K N 4.639 125.014 120.400 -0.041 0.000 3.156 93 K HA -0.204 4.116 4.320 -0.000 0.000 0.266 93 K C 0.934 177.497 176.600 -0.062 0.000 0.966 93 K CA 0.954 57.233 56.287 -0.014 0.000 0.719 93 K CB -1.583 30.925 32.500 0.014 0.000 1.333 93 K HN 2.146 nan 8.250 nan 0.000 0.468 94 G N 0.014 108.730 108.800 -0.140 0.000 2.143 94 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.248 94 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.248 94 G C -0.098 174.616 174.900 -0.309 0.000 0.991 94 G CA 0.985 46.023 45.100 -0.104 0.000 0.689 94 G HN 0.431 nan 8.290 nan 0.000 0.522 95 K N 0.028 120.059 120.400 -0.614 0.000 2.422 95 K HA 0.629 4.949 4.320 -0.000 0.000 0.251 95 K C -0.388 175.876 176.600 -0.561 0.000 0.933 95 K CA -0.504 55.503 56.287 -0.468 0.000 0.798 95 K CB 1.392 33.691 32.500 -0.334 0.000 1.238 95 K HN 0.049 nan 8.250 nan 0.000 0.428 96 S N 2.360 117.888 115.700 -0.287 0.000 2.499 96 S HA 0.375 4.844 4.470 -0.000 0.000 0.279 96 S C -1.358 173.072 174.600 -0.283 0.000 1.219 96 S CA -0.375 57.787 58.200 -0.063 0.000 1.062 96 S CB 0.278 63.531 63.200 0.088 0.000 0.978 96 S HN 0.399 nan 8.310 nan 0.000 0.489 97 Y N 2.708 123.095 120.300 0.145 0.000 2.447 97 Y HA 0.353 4.903 4.550 -0.000 0.000 0.325 97 Y C -2.488 173.615 175.900 0.338 0.000 0.976 97 Y CA -2.420 55.806 58.100 0.210 0.000 1.280 97 Y CB 0.789 39.367 38.460 0.196 0.000 1.104 97 Y HN 0.457 nan 8.280 nan 0.000 0.486 98 P HA 0.250 nan 4.420 nan 0.000 0.275 98 P C -0.885 176.704 177.300 0.482 0.000 1.228 98 P CA -0.055 63.264 63.100 0.365 0.000 0.786 98 P CB 0.590 32.504 31.700 0.357 0.000 0.927 99 F N -0.984 119.089 119.950 0.206 0.000 2.686 99 F HA 0.691 5.218 4.527 0.000 0.000 0.311 99 F C -0.885 174.990 175.800 0.124 0.000 1.128 99 F CA -1.386 56.722 58.000 0.180 0.000 0.946 99 F CB 1.505 40.618 39.000 0.188 0.000 1.336 99 F HN 0.005 nan 8.300 nan 0.000 0.457 100 R N 0.926 121.550 120.500 0.207 0.000 2.732 100 R HA 0.773 5.113 4.340 -0.000 0.000 0.278 100 R C -0.267 176.129 176.300 0.160 0.000 0.976 100 R CA -0.513 55.621 56.100 0.057 0.000 0.963 100 R CB 1.717 32.058 30.300 0.069 0.000 1.150 100 R HN 1.401 nan 8.270 nan 0.000 0.478 101 G N 1.865 110.682 108.800 0.029 0.000 2.707 101 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.686 101 G C -2.081 172.791 174.900 -0.046 0.000 1.315 101 G CA -0.860 44.233 45.100 -0.011 0.000 0.832 101 G HN 0.464 nan 8.290 nan 0.000 0.573 102 P HA 0.123 nan 4.420 nan 0.000 0.229 102 P C 0.289 177.370 177.300 -0.365 0.000 1.160 102 P CA 1.060 63.828 63.100 -0.553 0.000 0.777 102 P CB 0.014 31.008 31.700 -1.176 0.000 0.814 103 F N 0.941 120.993 119.950 0.171 0.000 2.529 103 F HA 0.457 4.984 4.527 -0.000 0.000 0.320 103 F C -2.285 173.286 175.800 -0.382 0.000 1.118 103 F CA -3.398 54.557 58.000 -0.076 0.000 0.915 103 F CB 1.369 40.269 39.000 -0.166 0.000 1.161 103 F HN -0.356 nan 8.300 nan 0.000 0.445 104 P HA 0.151 nan 4.420 nan 0.000 0.267 104 P C -2.537 174.464 177.300 -0.498 0.000 1.205 104 P CA -1.001 61.375 63.100 -1.206 0.000 0.765 104 P CB -0.016 31.169 31.700 -0.858 0.000 0.828 105 P HA 0.103 nan 4.420 nan 0.000 0.269 105 P C -0.732 176.371 177.300 -0.329 0.000 1.209 105 P CA 0.190 63.116 63.100 -0.290 0.000 0.776 105 P CB 0.461 32.069 31.700 -0.152 0.000 0.876 106 V N 2.683 122.333 119.914 -0.440 0.000 2.531 106 V HA 0.261 4.381 4.120 -0.000 0.000 0.301 106 V C -0.119 175.728 176.094 -0.411 0.000 1.034 106 V CA -0.208 61.876 62.300 -0.360 0.000 0.865 106 V CB 1.748 33.310 31.823 -0.436 0.000 0.995 106 V HN 0.713 nan 8.190 nan 0.000 0.424 107 W N 0.970 122.243 121.300 -0.045 0.000 2.699 107 W HA 0.210 4.870 4.660 -0.000 0.000 0.267 107 W C 1.363 177.878 176.519 -0.007 0.000 1.182 107 W CA -0.116 57.215 57.345 -0.023 0.000 1.453 107 W CB 0.286 29.729 29.460 -0.029 0.000 1.054 107 W HN 0.505 nan 8.180 nan 0.000 0.595 108 N N 3.140 121.953 118.700 0.190 0.000 2.447 108 N HA -0.048 4.692 4.740 -0.000 0.000 0.263 108 N C -1.397 174.181 175.510 0.113 0.000 1.226 108 N CA -0.363 52.764 53.050 0.129 0.000 0.906 108 N CB 1.457 40.001 38.487 0.096 0.000 1.060 108 N HN -0.101 nan 8.380 nan 0.000 0.468 109 P HA -0.118 nan 4.420 nan 0.000 0.217 109 P C 1.587 178.958 177.300 0.118 0.000 1.151 109 P CA 0.735 63.891 63.100 0.094 0.000 0.828 109 P CB 0.395 32.130 31.700 0.058 0.000 0.788 110 I N 0.200 120.823 120.570 0.088 0.000 2.252 110 I HA -0.127 4.043 4.170 -0.000 0.000 0.245 110 I C 2.239 178.411 176.117 0.093 0.000 1.102 110 I CA 1.567 62.911 61.300 0.073 0.000 1.385 110 I CB -2.106 35.931 38.000 0.061 0.000 1.064 110 I HN 0.002 nan 8.210 nan 0.000 0.414 111 T N 0.370 114.989 114.554 0.108 0.000 2.746 111 T HA -0.247 4.103 4.350 -0.000 0.000 0.267 111 T C 1.891 176.667 174.700 0.127 0.000 1.039 111 T CA 1.466 63.647 62.100 0.135 0.000 1.142 111 T CB -0.612 68.314 68.868 0.096 0.000 0.866 111 T HN 0.303 nan 8.240 nan 0.000 0.444 112 Y N 1.800 122.082 120.300 -0.031 0.000 2.114 112 Y HA -0.159 4.391 4.550 -0.000 0.000 0.282 112 Y C 2.032 177.934 175.900 0.003 0.000 1.165 112 Y CA 1.275 59.335 58.100 -0.066 0.000 1.148 112 Y CB -0.492 37.905 38.460 -0.104 0.000 0.972 112 Y HN 0.123 nan 8.280 nan 0.000 0.504 113 L N -0.265 121.009 121.223 0.085 0.000 2.083 113 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 113 L C 2.175 178.999 176.870 -0.076 0.000 1.083 113 L CA 1.714 56.551 54.840 -0.005 0.000 0.752 113 L CB -0.618 41.458 42.059 0.029 0.000 0.899 113 L HN 0.237 nan 8.230 nan 0.000 0.433 114 D N -0.830 119.561 120.400 -0.014 0.000 2.097 114 D HA -0.198 4.442 4.640 -0.000 0.000 0.197 114 D C 2.185 178.439 176.300 -0.076 0.000 0.984 114 D CA 1.294 55.286 54.000 -0.013 0.000 0.826 114 D CB 0.052 40.884 40.800 0.053 0.000 0.973 114 D HN 0.304 nan 8.370 nan 0.000 0.460 115 H N -0.246 118.708 119.070 -0.193 0.000 2.321 115 H HA -0.114 4.442 4.556 -0.000 0.000 0.300 115 H C 2.158 177.338 175.328 -0.245 0.000 1.087 115 H CA 1.192 57.104 56.048 -0.226 0.000 1.319 115 H CB -0.201 29.480 29.762 -0.136 0.000 1.379 115 H HN 0.287 nan 8.280 nan 0.000 0.501 116 N N 1.184 119.754 118.700 -0.216 0.000 2.069 116 N HA -0.186 4.554 4.740 -0.000 0.000 0.191 116 N C 1.812 177.218 175.510 -0.175 0.000 1.031 116 N CA 0.971 53.865 53.050 -0.260 0.000 0.852 116 N CB -0.234 37.971 38.487 -0.471 0.000 1.018 116 N HN 0.411 nan 8.380 nan 0.000 0.423 117 N N -0.226 118.371 118.700 -0.172 0.000 2.166 117 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 117 N C 1.875 177.256 175.510 -0.215 0.000 1.019 117 N CA 0.686 53.639 53.050 -0.161 0.000 0.856 117 N CB -0.258 38.156 38.487 -0.121 0.000 0.993 117 N HN 0.223 nan 8.380 nan 0.000 0.426 118 F N 0.757 120.453 119.950 -0.423 0.000 2.075 118 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 118 F C 1.735 177.173 175.800 -0.602 0.000 1.113 118 F CA 1.711 59.350 58.000 -0.601 0.000 1.218 118 F CB -0.797 37.653 39.000 -0.918 0.000 0.984 118 F HN 0.088 nan 8.300 nan 0.000 0.472 119 W N 0.418 121.511 121.300 -0.345 0.000 2.358 119 W HA -0.093 4.567 4.660 -0.000 0.000 0.303 119 W C 2.766 179.023 176.519 -0.437 0.000 1.208 119 W CA 1.205 58.267 57.345 -0.472 0.000 1.274 119 W CB -0.663 28.553 29.460 -0.408 0.000 1.138 119 W HN -0.079 nan 8.180 nan 0.000 0.515 120 R N 0.253 120.657 120.500 -0.160 0.000 2.081 120 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 120 R C 1.940 178.102 176.300 -0.231 0.000 1.131 120 R CA 2.176 58.168 56.100 -0.179 0.000 0.960 120 R CB -0.662 29.536 30.300 -0.170 0.000 0.856 120 R HN 0.033 nan 8.270 nan 0.000 0.436 121 T N 1.240 115.610 114.554 -0.307 0.000 2.777 121 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 121 T C 1.840 176.317 174.700 -0.372 0.000 1.040 121 T CA 1.366 63.279 62.100 -0.311 0.000 1.141 121 T CB -0.041 68.636 68.868 -0.319 0.000 0.868 121 T HN 0.190 nan 8.240 nan 0.000 0.444 122 M N 1.447 120.737 119.600 -0.516 0.000 2.108 122 M HA -0.113 4.367 4.480 -0.000 0.000 0.261 122 M C 1.822 177.964 176.300 -0.264 0.000 1.066 122 M CA 1.530 56.571 55.300 -0.432 0.000 1.107 122 M CB -0.933 31.391 32.600 -0.459 0.000 1.356 122 M HN 0.181 nan 8.290 nan 0.000 0.406 123 D N 0.467 120.736 120.400 -0.217 0.000 2.149 123 D HA -0.111 4.529 4.640 -0.000 0.000 0.201 123 D C 1.593 177.809 176.300 -0.141 0.000 0.972 123 D CA 0.990 54.892 54.000 -0.162 0.000 0.835 123 D CB -0.307 40.409 40.800 -0.141 0.000 0.966 123 D HN 0.276 nan 8.370 nan 0.000 0.476 124 D N 0.382 120.695 120.400 -0.145 0.000 2.104 124 D HA -0.128 4.512 4.640 -0.000 0.000 0.194 124 D C 2.187 178.456 176.300 -0.053 0.000 0.994 124 D CA 0.808 54.749 54.000 -0.098 0.000 0.830 124 D CB -0.242 40.498 40.800 -0.100 0.000 0.959 124 D HN 0.248 nan 8.370 nan 0.000 0.452 125 M N 0.162 119.697 119.600 -0.109 0.000 2.117 125 M HA -0.053 4.427 4.480 -0.000 0.000 0.262 125 M C 2.338 178.662 176.300 0.040 0.000 1.065 125 M CA 1.637 56.894 55.300 -0.072 0.000 1.114 125 M CB -0.441 31.846 32.600 -0.522 0.000 1.361 125 M HN 0.029 nan 8.290 nan 0.000 0.408 126 G N 0.170 108.930 108.800 -0.067 0.000 2.450 126 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.220 126 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.220 126 G C 1.626 176.512 174.900 -0.023 0.000 1.130 126 G CA 0.592 45.661 45.100 -0.051 0.000 0.760 126 G HN 0.404 nan 8.290 nan 0.000 0.557 127 R N 0.125 120.608 120.500 -0.029 0.000 2.193 127 R HA -0.013 4.327 4.340 -0.000 0.000 0.229 127 R C 1.608 177.905 176.300 -0.006 0.000 1.110 127 R CA 0.861 56.940 56.100 -0.035 0.000 0.988 127 R CB 0.045 30.318 30.300 -0.044 0.000 0.871 127 R HN 0.282 nan 8.270 nan 0.000 0.458 128 E N 0.232 120.467 120.200 0.058 0.000 2.479 128 E HA 0.096 4.446 4.350 -0.000 0.000 0.193 128 E C 0.068 176.689 176.600 0.034 0.000 1.049 128 E CA 0.310 56.738 56.400 0.047 0.000 0.870 128 E CB 0.403 30.154 29.700 0.085 0.000 0.944 128 E HN 0.323 nan 8.360 nan 0.000 0.492 129 I N 2.688 123.294 120.570 0.060 0.000 2.354 129 I HA 0.211 4.381 4.170 -0.000 0.000 0.286 129 I C -2.422 173.691 176.117 -0.007 0.000 1.007 129 I CA -2.378 58.956 61.300 0.056 0.000 1.167 129 I CB 1.472 39.573 38.000 0.167 0.000 1.320 129 I HN -0.350 nan 8.210 nan 0.000 0.458 130 P HA 0.101 nan 4.420 nan 0.000 0.267 130 P C 0.523 177.788 177.300 -0.059 0.000 1.209 130 P CA 0.221 63.246 63.100 -0.125 0.000 0.763 130 P CB 0.878 32.447 31.700 -0.218 0.000 0.816 131 S N 2.160 117.839 115.700 -0.035 0.000 2.383 131 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 131 S C 1.265 175.965 174.600 0.166 0.000 1.030 131 S CA 1.811 60.068 58.200 0.094 0.000 1.002 131 S CB -0.587 62.571 63.200 -0.070 0.000 0.829 131 S HN 0.677 nan 8.310 nan 0.000 0.467 132 D N 0.382 120.731 120.400 -0.085 0.000 2.339 132 D HA 0.278 4.918 4.640 -0.000 0.000 0.217 132 D C 0.265 176.335 176.300 -0.383 0.000 1.050 132 D CA 0.329 54.233 54.000 -0.160 0.000 0.856 132 D CB 0.072 40.716 40.800 -0.260 0.000 0.922 132 D HN 0.269 nan 8.370 nan 0.000 0.518 133 A N 1.093 123.515 122.820 -0.664 0.000 3.330 133 A HA 0.328 4.648 4.320 -0.000 0.000 0.256 133 A C -2.154 174.608 177.584 -1.370 0.000 1.185 133 A CA -0.735 50.401 52.037 -1.501 0.000 0.940 133 A CB 0.732 19.172 19.000 -0.932 0.000 1.397 133 A HN -0.093 nan 8.150 nan 0.000 0.678 134 P HA -0.181 nan 4.420 nan 0.000 0.219 134 P C 1.219 178.301 177.300 -0.363 0.000 1.146 134 P CA 1.520 64.297 63.100 -0.539 0.000 0.808 134 P CB -0.350 31.007 31.700 -0.572 0.000 0.779 135 W N 0.781 122.002 121.300 -0.131 0.000 2.721 135 W HA 0.125 4.785 4.660 -0.000 0.000 0.245 135 W C 1.281 177.751 176.519 -0.082 0.000 1.276 135 W CA 0.328 57.617 57.345 -0.094 0.000 1.342 135 W CB -1.374 28.027 29.460 -0.099 0.000 1.135 135 W HN -0.107 nan 8.180 nan 0.000 0.654 136 K N 0.830 121.022 120.400 -0.347 0.000 2.404 136 K HA 0.321 4.641 4.320 -0.000 0.000 0.194 136 K C 0.996 177.497 176.600 -0.165 0.000 1.023 136 K CA 0.154 56.327 56.287 -0.190 0.000 1.094 136 K CB 0.012 32.361 32.500 -0.251 0.000 0.841 136 K HN 0.097 nan 8.250 nan 0.000 0.523 137 A N 2.398 125.119 122.820 -0.165 0.000 2.531 137 A HA 0.074 4.394 4.320 -0.000 0.000 0.236 137 A C -1.607 175.843 177.584 -0.222 0.000 1.062 137 A CA -0.952 50.983 52.037 -0.169 0.000 0.760 137 A CB 0.076 18.999 19.000 -0.128 0.000 0.995 137 A HN -0.017 nan 8.150 nan 0.000 0.501 138 P HA -0.134 nan 4.420 nan 0.000 0.216 138 P C 0.513 177.613 177.300 -0.334 0.000 1.153 138 P CA 1.270 64.224 63.100 -0.244 0.000 0.858 138 P CB 0.033 31.601 31.700 -0.219 0.000 0.789 139 L N -2.168 118.694 121.223 -0.602 0.000 2.984 139 L HA 0.354 4.694 4.340 -0.000 0.000 0.246 139 L C 1.843 178.327 176.870 -0.644 0.000 1.268 139 L CA -0.314 54.081 54.840 -0.742 0.000 1.054 139 L CB -0.541 40.774 42.059 -1.240 0.000 1.393 139 L HN -0.101 nan 8.230 nan 0.000 0.532 140 A N 0.600 123.217 122.820 -0.338 0.000 1.892 140 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 140 A C 2.200 179.779 177.584 -0.008 0.000 1.188 140 A CA 1.829 53.801 52.037 -0.107 0.000 0.631 140 A CB -0.174 18.814 19.000 -0.019 0.000 0.822 140 A HN 0.525 nan 8.150 nan 0.000 0.447 141 E N -0.966 119.215 120.200 -0.033 0.000 2.047 141 E HA -0.220 4.130 4.350 -0.000 0.000 0.191 141 E C 2.136 178.768 176.600 0.053 0.000 0.987 141 E CA 1.172 57.586 56.400 0.022 0.000 0.799 141 E CB -0.251 29.450 29.700 0.001 0.000 0.752 141 E HN 0.830 nan 8.360 nan 0.000 0.449 142 E N 0.187 120.386 120.200 -0.002 0.000 2.070 142 E HA -0.216 4.134 4.350 -0.000 0.000 0.197 142 E C 1.756 178.517 176.600 0.268 0.000 1.004 142 E CA 1.406 57.851 56.400 0.075 0.000 0.805 142 E CB -0.026 29.669 29.700 -0.009 0.000 0.744 142 E HN 0.283 nan 8.360 nan 0.000 0.451 143 W N 0.853 122.192 121.300 0.064 0.000 2.436 143 W HA -0.019 4.641 4.660 -0.000 0.000 0.284 143 W C 1.957 178.546 176.519 0.117 0.000 1.225 143 W CA 0.692 58.088 57.345 0.085 0.000 1.271 143 W CB -0.983 28.526 29.460 0.081 0.000 1.114 143 W HN 0.224 nan 8.180 nan 0.000 0.559 144 D N -0.294 120.306 120.400 0.333 0.000 2.269 144 D HA -0.124 4.516 4.640 -0.000 0.000 0.208 144 D C 1.301 177.732 176.300 0.218 0.000 0.963 144 D CA 0.950 55.111 54.000 0.269 0.000 0.864 144 D CB -0.202 40.728 40.800 0.217 0.000 0.936 144 D HN -0.095 nan 8.370 nan 0.000 0.505 145 N N -0.227 118.586 118.700 0.188 0.000 2.336 145 N HA 0.090 4.830 4.740 -0.000 0.000 0.189 145 N C 0.086 175.679 175.510 0.138 0.000 1.113 145 N CA 0.141 53.277 53.050 0.143 0.000 0.858 145 N CB 0.063 38.615 38.487 0.110 0.000 0.970 145 N HN 0.456 nan 8.380 nan 0.000 0.471 146 M N -1.288 118.411 119.600 0.165 0.000 2.598 146 M HA 0.500 4.980 4.480 -0.000 0.000 0.317 146 M C 0.084 176.469 176.300 0.142 0.000 1.179 146 M CA -0.865 54.516 55.300 0.135 0.000 0.936 146 M CB 1.714 34.389 32.600 0.125 0.000 1.713 146 M HN -0.136 nan 8.290 nan 0.000 0.460 147 T N -1.012 113.608 114.554 0.111 0.000 2.816 147 T HA 0.274 4.624 4.350 -0.000 0.000 0.282 147 T C 1.074 175.820 174.700 0.077 0.000 0.993 147 T CA -0.821 61.344 62.100 0.109 0.000 0.994 147 T CB 0.841 69.764 68.868 0.091 0.000 1.025 147 T HN 0.761 nan 8.240 nan 0.000 0.529 148 M N 0.255 119.888 119.600 0.055 0.000 2.279 148 M HA -0.017 4.463 4.480 -0.000 0.000 0.264 148 M C 2.178 178.459 176.300 -0.031 0.000 1.062 148 M CA 1.530 56.826 55.300 -0.007 0.000 1.099 148 M CB -1.304 31.218 32.600 -0.131 0.000 1.394 148 M HN 0.868 nan 8.290 nan 0.000 0.426 149 K N 0.515 120.904 120.400 -0.019 0.000 2.026 149 K HA -0.181 4.139 4.320 -0.000 0.000 0.208 149 K C 1.681 178.269 176.600 -0.021 0.000 1.048 149 K CA 1.538 57.814 56.287 -0.019 0.000 0.929 149 K CB 0.043 32.563 32.500 0.034 0.000 0.713 149 K HN 0.392 nan 8.250 nan 0.000 0.439 150 E N 0.593 120.795 120.200 0.003 0.000 2.077 150 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 150 E C 2.029 178.622 176.600 -0.012 0.000 0.989 150 E CA 1.036 57.435 56.400 -0.002 0.000 0.800 150 E CB -0.126 29.589 29.700 0.024 0.000 0.746 150 E HN 0.180 nan 8.360 nan 0.000 0.452 151 L N 1.183 122.404 121.223 -0.003 0.000 2.017 151 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 151 L C 2.081 178.950 176.870 -0.002 0.000 1.073 151 L CA 1.569 56.402 54.840 -0.012 0.000 0.745 151 L CB -0.402 41.641 42.059 -0.026 0.000 0.894 151 L HN 0.133 nan 8.230 nan 0.000 0.432 152 L N -0.837 120.376 121.223 -0.017 0.000 2.046 152 L HA -0.226 4.113 4.340 -0.000 0.000 0.208 152 L C 2.229 179.024 176.870 -0.125 0.000 1.077 152 L CA 1.422 56.210 54.840 -0.086 0.000 0.747 152 L CB -0.988 40.962 42.059 -0.181 0.000 0.896 152 L HN 0.289 nan 8.230 nan 0.000 0.432 153 D N 0.240 120.575 120.400 -0.108 0.000 2.144 153 D HA -0.152 4.488 4.640 -0.000 0.000 0.199 153 D C 2.215 178.421 176.300 -0.156 0.000 0.984 153 D CA 1.149 55.069 54.000 -0.135 0.000 0.834 153 D CB 0.019 40.755 40.800 -0.107 0.000 0.955 153 D HN 0.280 nan 8.370 nan 0.000 0.465 154 K N -0.135 120.206 120.400 -0.098 0.000 2.062 154 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 154 K C 2.190 178.764 176.600 -0.043 0.000 1.051 154 K CA 0.544 56.784 56.287 -0.078 0.000 0.941 154 K CB 0.081 32.569 32.500 -0.019 0.000 0.719 154 K HN 0.124 nan 8.250 nan 0.000 0.440 155 L N 0.219 121.444 121.223 0.004 0.000 2.249 155 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 155 L C 0.675 177.630 176.870 0.141 0.000 1.090 155 L CA -0.024 54.879 54.840 0.105 0.000 0.802 155 L CB 0.230 42.369 42.059 0.134 0.000 0.947 155 L HN 0.116 nan 8.230 nan 0.000 0.453 156 C N -0.152 119.130 119.300 -0.031 0.000 2.281 156 C HA 0.095 4.555 4.460 -0.000 0.000 0.336 156 C C 0.869 175.821 174.990 -0.063 0.000 1.217 156 C CA -0.897 58.073 59.018 -0.079 0.000 1.730 156 C CB -0.814 26.757 27.740 -0.281 0.000 2.338 156 C HN 0.474 nan 8.230 nan 0.000 0.521 157 W N 1.908 123.144 121.300 -0.106 0.000 3.139 157 W HA 0.122 4.782 4.660 -0.000 0.000 0.260 157 W C 1.421 177.902 176.519 -0.063 0.000 1.312 157 W CA 0.141 57.445 57.345 -0.069 0.000 1.606 157 W CB -0.080 29.352 29.460 -0.046 0.000 1.118 157 W HN 0.680 nan 8.180 nan 0.000 0.675 158 T N -3.652 110.950 114.554 0.079 0.000 2.887 158 T HA 0.297 4.647 4.350 -0.000 0.000 0.288 158 T C 0.812 175.484 174.700 -0.046 0.000 1.021 158 T CA -0.641 61.479 62.100 0.033 0.000 1.000 158 T CB 2.591 71.503 68.868 0.073 0.000 1.034 158 T HN -0.250 nan 8.240 nan 0.000 0.467 159 E N 1.062 121.246 120.200 -0.028 0.000 2.110 159 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 159 E C 2.141 178.719 176.600 -0.037 0.000 0.988 159 E CA 1.228 57.602 56.400 -0.045 0.000 0.804 159 E CB -0.427 29.262 29.700 -0.019 0.000 0.745 159 E HN 0.733 nan 8.360 nan 0.000 0.458 160 S N 0.469 116.182 115.700 0.021 0.000 2.353 160 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 160 S C 2.075 176.663 174.600 -0.020 0.000 1.035 160 S CA 1.649 59.911 58.200 0.103 0.000 1.025 160 S CB -0.123 63.221 63.200 0.241 0.000 0.902 160 S HN 0.301 nan 8.310 nan 0.000 0.440 161 A N 1.272 123.940 122.820 -0.254 0.000 1.902 161 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 161 A C 2.179 179.395 177.584 -0.613 0.000 1.181 161 A CA 1.876 53.432 52.037 -0.801 0.000 0.623 161 A CB -0.742 17.810 19.000 -0.747 0.000 0.818 161 A HN 0.656 nan 8.150 nan 0.000 0.443 162 K N -0.559 119.598 120.400 -0.404 0.000 2.097 162 K HA -0.196 4.124 4.320 -0.000 0.000 0.206 162 K C 2.207 178.655 176.600 -0.253 0.000 1.049 162 K CA 1.656 57.721 56.287 -0.370 0.000 0.933 162 K CB -0.171 32.183 32.500 -0.242 0.000 0.717 162 K HN 0.636 nan 8.250 nan 0.000 0.442 163 Q N 0.234 119.950 119.800 -0.141 0.000 2.079 163 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 163 Q C 2.077 178.083 176.000 0.010 0.000 0.974 163 Q CA 1.188 56.971 55.803 -0.034 0.000 0.840 163 Q CB -0.048 28.709 28.738 0.032 0.000 0.898 163 Q HN 0.205 nan 8.270 nan 0.000 0.430 164 L N 0.415 121.639 121.223 0.002 0.000 2.093 164 L HA -0.051 4.289 4.340 -0.000 0.000 0.208 164 L C 2.092 179.025 176.870 0.105 0.000 1.085 164 L CA 1.845 56.751 54.840 0.110 0.000 0.755 164 L CB -0.723 41.446 42.059 0.184 0.000 0.904 164 L HN 0.131 nan 8.230 nan 0.000 0.435 165 A N -1.751 120.938 122.820 -0.218 0.000 1.933 165 A HA -0.189 4.131 4.320 -0.000 0.000 0.218 165 A C 2.254 179.826 177.584 -0.019 0.000 1.175 165 A CA 2.182 54.036 52.037 -0.305 0.000 0.628 165 A CB -1.085 17.197 19.000 -1.197 0.000 0.814 165 A HN 0.487 nan 8.150 nan 0.000 0.444 166 T N 0.062 114.569 114.554 -0.077 0.000 2.708 166 T HA -0.111 4.239 4.350 -0.000 0.000 0.266 166 T C 1.859 176.594 174.700 0.058 0.000 1.037 166 T CA 1.357 63.439 62.100 -0.030 0.000 1.146 166 T CB -0.374 68.471 68.868 -0.038 0.000 0.865 166 T HN 0.398 nan 8.240 nan 0.000 0.435 167 L N 0.115 121.412 121.223 0.124 0.000 2.042 167 L HA -0.079 4.261 4.340 -0.000 0.000 0.210 167 L C 2.227 179.214 176.870 0.196 0.000 1.076 167 L CA 1.540 56.479 54.840 0.164 0.000 0.749 167 L CB -0.378 41.807 42.059 0.210 0.000 0.893 167 L HN 0.230 nan 8.230 nan 0.000 0.432 168 F N -0.404 119.629 119.950 0.139 0.000 2.095 168 F HA -0.263 4.264 4.527 -0.000 0.000 0.298 168 F C 2.119 178.032 175.800 0.188 0.000 1.104 168 F CA 2.145 60.269 58.000 0.208 0.000 1.232 168 F CB -0.457 38.813 39.000 0.449 0.000 0.987 168 F HN -0.142 nan 8.300 nan 0.000 0.475 169 V N 0.923 120.923 119.914 0.143 0.000 2.295 169 V HA -0.352 3.768 4.120 -0.000 0.000 0.246 169 V C 1.975 177.993 176.094 -0.127 0.000 1.049 169 V CA 2.475 64.657 62.300 -0.198 0.000 1.024 169 V CB -1.037 30.514 31.823 -0.453 0.000 0.648 169 V HN 0.416 nan 8.190 nan 0.000 0.447 170 N N 0.033 118.686 118.700 -0.078 0.000 2.104 170 N HA -0.206 4.534 4.740 -0.000 0.000 0.190 170 N C 1.745 177.207 175.510 -0.080 0.000 1.024 170 N CA 1.292 54.296 53.050 -0.077 0.000 0.853 170 N CB -0.197 38.282 38.487 -0.013 0.000 1.008 170 N HN 0.335 nan 8.380 nan 0.000 0.424 171 L N 0.681 121.875 121.223 -0.049 0.000 2.072 171 L HA -0.001 4.339 4.340 -0.000 0.000 0.205 171 L C 1.972 178.838 176.870 -0.007 0.000 1.079 171 L CA 1.447 56.258 54.840 -0.048 0.000 0.752 171 L CB -0.500 41.495 42.059 -0.106 0.000 0.906 171 L HN 0.210 nan 8.230 nan 0.000 0.436 172 C N -1.412 117.853 119.300 -0.059 0.000 2.457 172 C HA 0.015 4.475 4.460 -0.000 0.000 0.278 172 C C 2.203 177.300 174.990 0.180 0.000 1.309 172 C CA 0.870 59.921 59.018 0.055 0.000 1.735 172 C CB -0.529 27.162 27.740 -0.082 0.000 1.992 172 C HN 0.569 nan 8.230 nan 0.000 0.493 173 V N -2.068 117.872 119.914 0.042 0.000 3.276 173 V HA 0.295 4.415 4.120 -0.000 0.000 0.319 173 V C 0.754 176.730 176.094 -0.197 0.000 1.476 173 V CA 0.773 63.062 62.300 -0.019 0.000 1.097 173 V CB -1.330 30.606 31.823 0.189 0.000 0.988 173 V HN 0.501 nan 8.190 nan 0.000 0.473 174 T N -1.337 113.010 114.554 -0.345 0.000 3.852 174 T HA -0.079 4.271 4.350 -0.000 0.000 0.361 174 T C 0.123 174.659 174.700 -0.273 0.000 0.759 174 T CA 1.330 63.197 62.100 -0.389 0.000 1.899 174 T CB -2.594 65.900 68.868 -0.624 0.000 1.822 174 T HN 2.462 nan 8.240 nan 0.000 0.778 175 A N -0.252 122.403 122.820 -0.275 0.000 2.587 175 A HA 0.726 5.046 4.320 -0.000 0.000 0.293 175 A C -0.372 177.007 177.584 -0.342 0.000 1.087 175 A CA -1.058 50.739 52.037 -0.399 0.000 0.692 175 A CB 1.247 19.798 19.000 -0.748 0.000 1.291 175 A HN 0.349 nan 8.150 nan 0.000 0.407 176 E N 0.529 120.481 120.200 -0.413 0.000 2.374 176 E HA 0.227 4.577 4.350 -0.000 0.000 0.260 176 E C 1.253 177.564 176.600 -0.481 0.000 1.101 176 E CA 0.554 56.681 56.400 -0.455 0.000 0.907 176 E CB 0.816 30.045 29.700 -0.785 0.000 1.014 176 E HN 0.802 nan 8.360 nan 0.000 0.427 177 T N -1.384 112.964 114.554 -0.344 0.000 2.833 177 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 177 T C 1.431 176.024 174.700 -0.177 0.000 1.054 177 T CA 1.627 63.582 62.100 -0.242 0.000 1.135 177 T CB -0.375 68.401 68.868 -0.153 0.000 0.869 177 T HN 0.620 nan 8.240 nan 0.000 0.466 178 H N 0.584 119.607 119.070 -0.078 0.000 2.555 178 H HA 0.258 4.814 4.556 -0.000 0.000 0.269 178 H C 1.424 176.734 175.328 -0.031 0.000 0.988 178 H CA 0.768 56.788 56.048 -0.047 0.000 1.178 178 H CB -0.171 29.562 29.762 -0.049 0.000 1.373 178 H HN 0.503 nan 8.280 nan 0.000 0.588 179 E N 1.358 121.378 120.200 -0.300 0.000 2.318 179 E HA 0.048 4.398 4.350 -0.000 0.000 0.193 179 E C 0.796 177.383 176.600 -0.022 0.000 0.998 179 E CA 0.409 56.719 56.400 -0.149 0.000 0.859 179 E CB 0.835 30.302 29.700 -0.389 0.000 0.812 179 E HN 0.357 nan 8.360 nan 0.000 0.492 180 V N -0.987 118.905 119.914 -0.038 0.000 2.667 180 V HA 0.422 4.542 4.120 -0.000 0.000 0.308 180 V C 0.007 176.262 176.094 0.267 0.000 1.048 180 V CA -1.169 61.227 62.300 0.159 0.000 0.928 180 V CB 1.852 33.821 31.823 0.244 0.000 1.004 180 V HN -0.029 nan 8.190 nan 0.000 0.444 181 S N 3.278 119.210 115.700 0.387 0.000 2.549 181 S HA 0.440 4.910 4.470 -0.000 0.000 0.286 181 S C 1.423 176.291 174.600 0.446 0.000 1.314 181 S CA 0.190 58.626 58.200 0.394 0.000 1.062 181 S CB 0.950 64.416 63.200 0.444 0.000 0.865 181 S HN 1.745 nan 8.310 nan 0.000 0.498 182 A N 4.818 127.826 122.820 0.313 0.000 1.898 182 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 182 A C 2.016 179.781 177.584 0.301 0.000 1.181 182 A CA 1.533 53.724 52.037 0.256 0.000 0.620 182 A CB -0.895 18.175 19.000 0.117 0.000 0.819 182 A HN 0.968 nan 8.150 nan 0.000 0.442 183 L N -1.398 120.047 121.223 0.370 0.000 2.012 183 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 183 L C 2.216 179.323 176.870 0.395 0.000 1.073 183 L CA 2.563 57.649 54.840 0.411 0.000 0.748 183 L CB -0.779 41.524 42.059 0.407 0.000 0.891 183 L HN 0.657 nan 8.230 nan 0.000 0.431 184 W N -0.594 120.879 121.300 0.289 0.000 2.381 184 W HA -0.262 4.398 4.660 -0.000 0.000 0.301 184 W C 2.322 179.124 176.519 0.472 0.000 1.205 184 W CA 1.824 59.361 57.345 0.319 0.000 1.285 184 W CB -0.670 28.967 29.460 0.294 0.000 1.133 184 W HN 0.287 nan 8.180 nan 0.000 0.521 185 F N 0.757 120.784 119.950 0.128 0.000 2.146 185 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 185 F C 2.090 177.826 175.800 -0.106 0.000 1.096 185 F CA 2.112 59.999 58.000 -0.190 0.000 1.275 185 F CB -0.645 38.400 39.000 0.076 0.000 1.008 185 F HN -0.176 nan 8.300 nan 0.000 0.480 186 L N -1.260 119.987 121.223 0.039 0.000 2.083 186 L HA -0.215 4.125 4.340 -0.000 0.000 0.209 186 L C 2.296 179.093 176.870 -0.122 0.000 1.083 186 L CA 1.629 56.425 54.840 -0.074 0.000 0.752 186 L CB -1.011 41.019 42.059 -0.048 0.000 0.899 186 L HN 0.449 nan 8.230 nan 0.000 0.433 187 W N 0.034 121.210 121.300 -0.208 0.000 2.358 187 W HA -0.310 4.350 4.660 -0.000 0.000 0.303 187 W C 2.598 178.908 176.519 -0.349 0.000 1.208 187 W CA 1.525 58.730 57.345 -0.232 0.000 1.274 187 W CB -0.571 28.785 29.460 -0.174 0.000 1.138 187 W HN 0.111 nan 8.180 nan 0.000 0.515 188 Y N 0.490 120.353 120.300 -0.728 0.000 2.181 188 Y HA -0.265 4.285 4.550 -0.000 0.000 0.288 188 Y C 2.353 177.708 175.900 -0.909 0.000 1.146 188 Y CA 2.853 60.317 58.100 -1.059 0.000 1.164 188 Y CB -0.724 37.069 38.460 -1.111 0.000 0.982 188 Y HN -0.143 nan 8.280 nan 0.000 0.515 189 V N 0.906 120.409 119.914 -0.683 0.000 2.307 189 V HA -0.272 3.848 4.120 -0.000 0.000 0.245 189 V C 2.496 178.262 176.094 -0.546 0.000 1.045 189 V CA 2.182 64.157 62.300 -0.540 0.000 1.024 189 V CB -0.668 30.940 31.823 -0.359 0.000 0.651 189 V HN 0.309 nan 8.190 nan 0.000 0.449 190 K N 1.138 121.234 120.400 -0.506 0.000 2.097 190 K HA -0.259 4.061 4.320 -0.000 0.000 0.206 190 K C 2.142 178.399 176.600 -0.572 0.000 1.049 190 K CA 2.278 58.301 56.287 -0.440 0.000 0.933 190 K CB -0.158 32.154 32.500 -0.313 0.000 0.717 190 K HN 0.715 nan 8.250 nan 0.000 0.442 191 Q N -0.737 118.569 119.800 -0.824 0.000 2.472 191 Q HA -0.004 4.336 4.340 -0.000 0.000 0.208 191 Q C 1.468 176.946 176.000 -0.871 0.000 0.958 191 Q CA 1.016 56.323 55.803 -0.826 0.000 0.932 191 Q CB -0.480 27.573 28.738 -1.142 0.000 1.007 191 Q HN 0.154 nan 8.270 nan 0.000 0.508 192 C N 0.251 118.897 119.300 -1.090 0.000 2.673 192 C HA 0.599 5.059 4.460 -0.000 0.000 0.274 192 C C 1.548 175.807 174.990 -1.217 0.000 1.276 192 C CA 0.173 58.169 59.018 -1.704 0.000 1.701 192 C CB -0.957 25.790 27.740 -1.656 0.000 1.836 192 C HN 0.837 nan 8.230 nan 0.000 0.596 193 G N 0.084 108.483 108.800 -0.668 0.000 2.159 193 G HA2 0.279 4.239 3.960 -0.000 0.000 0.227 193 G HA3 0.279 4.239 3.960 -0.000 0.000 0.227 193 G C 0.471 175.204 174.900 -0.279 0.000 0.986 193 G CA 0.025 44.899 45.100 -0.376 0.000 0.651 193 G HN 1.650 nan 8.290 nan 0.000 0.523 194 G N -2.087 106.525 108.800 -0.313 0.000 2.592 194 G HA2 0.324 4.284 3.960 -0.000 0.000 0.684 194 G HA3 0.324 4.284 3.960 -0.000 0.000 0.684 194 G C 1.020 175.852 174.900 -0.114 0.000 1.291 194 G CA 0.974 45.954 45.100 -0.200 0.000 0.891 194 G HN 1.836 nan 8.290 nan 0.000 0.544 195 T N -2.932 111.587 114.554 -0.059 0.000 2.708 195 T HA -0.110 4.240 4.350 -0.000 0.000 0.266 195 T C 2.357 177.073 174.700 0.028 0.000 1.037 195 T CA 2.943 65.051 62.100 0.014 0.000 1.146 195 T CB -0.834 67.951 68.868 -0.139 0.000 0.865 195 T HN 0.974 nan 8.240 nan 0.000 0.435 196 T N 1.330 115.889 114.554 0.008 0.000 2.708 196 T HA -0.037 4.312 4.350 -0.000 0.000 0.266 196 T C 2.135 176.901 174.700 0.109 0.000 1.037 196 T CA 1.515 63.704 62.100 0.148 0.000 1.146 196 T CB -0.314 68.656 68.868 0.170 0.000 0.865 196 T HN 0.293 nan 8.240 nan 0.000 0.435 197 R N 0.907 121.433 120.500 0.044 0.000 2.075 197 R HA 0.152 4.492 4.340 -0.000 0.000 0.232 197 R C 2.207 178.577 176.300 0.116 0.000 1.126 197 R CA 1.135 57.273 56.100 0.063 0.000 0.963 197 R CB -0.831 29.469 30.300 0.000 0.000 0.858 197 R HN 0.460 nan 8.270 nan 0.000 0.435 198 I N -0.578 120.015 120.570 0.038 0.000 2.439 198 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 198 I C 1.327 177.533 176.117 0.147 0.000 1.139 198 I CA 0.975 62.325 61.300 0.083 0.000 1.438 198 I CB 0.135 38.112 38.000 -0.038 0.000 1.085 198 I HN 0.218 nan 8.210 nan 0.000 0.427 199 I N -0.298 120.371 120.570 0.166 0.000 3.783 199 I HA 0.091 4.261 4.170 -0.000 0.000 0.310 199 I C 0.953 177.131 176.117 0.102 0.000 1.274 199 I CA 0.411 61.806 61.300 0.158 0.000 1.294 199 I CB 0.017 38.194 38.000 0.295 0.000 1.051 199 I HN -0.036 nan 8.210 nan 0.000 0.435 200 S N -0.368 115.380 115.700 0.080 0.000 2.586 200 S HA 0.256 4.726 4.470 -0.000 0.000 0.274 200 S C 1.183 175.777 174.600 -0.009 0.000 1.281 200 S CA -0.285 57.921 58.200 0.010 0.000 1.035 200 S CB 1.501 64.687 63.200 -0.023 0.000 0.962 200 S HN 0.253 nan 8.310 nan 0.000 0.512 201 T N 2.063 116.594 114.554 -0.039 0.000 2.896 201 T HA 0.034 4.384 4.350 -0.000 0.000 0.238 201 T C 0.583 175.239 174.700 -0.072 0.000 1.045 201 T CA 0.638 62.694 62.100 -0.072 0.000 1.248 201 T CB -0.355 68.465 68.868 -0.079 0.000 0.955 201 T HN 0.606 nan 8.240 nan 0.000 0.416 202 T N 3.532 118.043 114.554 -0.072 0.000 2.871 202 T HA 0.091 4.441 4.350 -0.000 0.000 0.296 202 T C 0.727 175.394 174.700 -0.055 0.000 0.998 202 T CA 0.452 62.514 62.100 -0.063 0.000 1.162 202 T CB -0.161 68.669 68.868 -0.063 0.000 0.947 202 T HN 0.525 nan 8.240 nan 0.000 0.536 203 N N 0.724 119.398 118.700 -0.043 0.000 2.800 203 N HA -0.148 4.592 4.740 -0.000 0.000 0.250 203 N C 0.154 175.662 175.510 -0.003 0.000 1.078 203 N CA 1.476 54.512 53.050 -0.024 0.000 0.804 203 N CB -1.063 37.413 38.487 -0.019 0.000 1.135 203 N HN 0.943 nan 8.380 nan 0.000 0.565 204 G N -3.115 105.677 108.800 -0.013 0.000 2.975 204 G HA2 0.566 4.526 3.960 -0.000 0.000 0.291 204 G HA3 0.566 4.526 3.960 -0.000 0.000 0.291 204 G C 0.992 175.882 174.900 -0.016 0.000 1.334 204 G CA -0.006 45.114 45.100 0.034 0.000 0.843 204 G HN 0.292 nan 8.290 nan 0.000 0.548 205 G N -0.859 107.970 108.800 0.048 0.000 2.462 205 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.220 205 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.220 205 G C 1.168 176.007 174.900 -0.101 0.000 1.121 205 G CA 1.000 46.031 45.100 -0.115 0.000 0.758 205 G HN 0.408 nan 8.290 nan 0.000 0.559 206 Q N -0.370 119.372 119.800 -0.097 0.000 2.201 206 Q HA 0.277 4.617 4.340 -0.000 0.000 0.217 206 Q C 1.612 177.504 176.000 -0.180 0.000 0.860 206 Q CA -0.105 55.559 55.803 -0.231 0.000 0.984 206 Q CB 0.725 29.227 28.738 -0.392 0.000 1.095 206 Q HN 0.645 nan 8.270 nan 0.000 0.477 207 E N 0.418 120.541 120.200 -0.127 0.000 2.106 207 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 207 E C -0.027 176.495 176.600 -0.130 0.000 0.984 207 E CA 0.726 57.056 56.400 -0.117 0.000 0.806 207 E CB 0.448 30.081 29.700 -0.110 0.000 0.750 207 E HN 0.152 nan 8.360 nan 0.000 0.458 208 R N -0.775 119.630 120.500 -0.158 0.000 2.836 208 R HA 0.456 4.796 4.340 -0.000 0.000 0.269 208 R C -1.083 175.012 176.300 -0.343 0.000 1.010 208 R CA -0.728 55.202 56.100 -0.283 0.000 0.930 208 R CB 2.028 32.138 30.300 -0.317 0.000 1.218 208 R HN -0.174 nan 8.270 nan 0.000 0.473 209 K N 0.603 120.634 120.400 -0.615 0.000 2.400 209 K HA 0.441 4.761 4.320 -0.000 0.000 0.246 209 K C -1.130 175.152 176.600 -0.529 0.000 0.995 209 K CA -0.702 55.234 56.287 -0.586 0.000 0.840 209 K CB 1.536 33.738 32.500 -0.497 0.000 1.293 209 K HN 0.239 nan 8.250 nan 0.000 0.445 210 F N 1.094 120.989 119.950 -0.090 0.000 2.410 210 F HA 0.152 4.679 4.527 -0.000 0.000 0.348 210 F C 0.451 176.318 175.800 0.112 0.000 1.106 210 F CA -0.927 57.068 58.000 -0.008 0.000 1.163 210 F CB 0.987 39.954 39.000 -0.054 0.000 1.129 210 F HN 0.015 nan 8.300 nan 0.000 0.516 211 V N 3.751 123.880 119.914 0.358 0.000 2.493 211 V HA 0.199 4.319 4.120 -0.000 0.000 0.292 211 V C 0.960 176.956 176.094 -0.163 0.000 1.016 211 V CA 1.239 63.664 62.300 0.208 0.000 1.097 211 V CB 0.088 32.008 31.823 0.161 0.000 0.947 211 V HN 1.111 nan 8.190 nan 0.000 0.479 212 G N 3.283 111.577 108.800 -0.843 0.000 2.199 212 G HA2 0.136 4.096 3.960 -0.000 0.000 0.254 212 G HA3 0.136 4.096 3.960 -0.000 0.000 0.254 212 G C 0.792 175.162 174.900 -0.884 0.000 0.982 212 G CA -0.050 44.266 45.100 -1.307 0.000 0.632 212 G HN 2.447 nan 8.290 nan 0.000 0.529 213 G N -1.538 107.032 108.800 -0.383 0.000 2.650 213 G HA2 0.372 4.332 3.960 -0.000 0.000 0.686 213 G HA3 0.372 4.332 3.960 -0.000 0.000 0.686 213 G C 0.797 175.707 174.900 0.017 0.000 1.205 213 G CA 0.832 45.906 45.100 -0.044 0.000 0.781 213 G HN 1.871 nan 8.290 nan 0.000 0.648 214 S N 0.011 115.777 115.700 0.109 0.000 2.453 214 S HA 0.140 4.610 4.470 -0.000 0.000 0.231 214 S C 2.549 177.136 174.600 -0.023 0.000 1.005 214 S CA 1.588 59.851 58.200 0.105 0.000 0.949 214 S CB -0.028 63.296 63.200 0.206 0.000 0.774 214 S HN 2.185 nan 8.310 nan 0.000 0.510 215 G N 1.470 110.269 108.800 -0.001 0.000 2.499 215 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.221 215 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.221 215 G C 1.439 176.309 174.900 -0.049 0.000 1.109 215 G CA 0.728 45.831 45.100 0.004 0.000 0.749 215 G HN 0.638 nan 8.290 nan 0.000 0.568 216 Q N -0.288 119.447 119.800 -0.108 0.000 2.226 216 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 216 Q C 2.737 178.638 176.000 -0.165 0.000 0.975 216 Q CA 0.897 56.616 55.803 -0.140 0.000 0.866 216 Q CB -0.140 28.490 28.738 -0.181 0.000 0.915 216 Q HN 0.438 nan 8.270 nan 0.000 0.440 217 V N 0.224 120.012 119.914 -0.209 0.000 2.261 217 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 217 V C 2.111 178.138 176.094 -0.112 0.000 1.047 217 V CA 2.152 64.329 62.300 -0.204 0.000 1.015 217 V CB -0.576 31.110 31.823 -0.228 0.000 0.642 217 V HN 0.297 nan 8.190 nan 0.000 0.446 218 S N -0.738 114.922 115.700 -0.067 0.000 2.383 218 S HA -0.181 4.289 4.470 -0.000 0.000 0.227 218 S C 1.909 176.486 174.600 -0.039 0.000 1.026 218 S CA 1.377 59.555 58.200 -0.036 0.000 0.981 218 S CB -0.243 62.958 63.200 0.001 0.000 0.818 218 S HN 0.680 nan 8.310 nan 0.000 0.472 219 E N 1.010 121.185 120.200 -0.041 0.000 2.072 219 E HA -0.054 4.296 4.350 -0.000 0.000 0.191 219 E C 2.331 178.899 176.600 -0.053 0.000 0.985 219 E CA 0.789 57.166 56.400 -0.037 0.000 0.801 219 E CB -0.045 29.633 29.700 -0.035 0.000 0.750 219 E HN 0.343 nan 8.360 nan 0.000 0.452 220 R N 0.185 120.642 120.500 -0.072 0.000 2.148 220 R HA -0.004 4.336 4.340 -0.000 0.000 0.223 220 R C 2.272 178.528 176.300 -0.073 0.000 1.088 220 R CA 0.746 56.801 56.100 -0.075 0.000 0.985 220 R CB -0.101 30.144 30.300 -0.091 0.000 0.880 220 R HN 0.214 nan 8.270 nan 0.000 0.451 221 I N 0.572 121.097 120.570 -0.074 0.000 2.353 221 I HA -0.252 3.918 4.170 -0.000 0.000 0.248 221 I C 2.626 178.692 176.117 -0.084 0.000 1.119 221 I CA 1.018 62.272 61.300 -0.077 0.000 1.417 221 I CB -0.159 37.800 38.000 -0.068 0.000 1.078 221 I HN 0.188 nan 8.210 nan 0.000 0.421 222 M N 0.894 120.454 119.600 -0.067 0.000 2.149 222 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 222 M C 1.617 177.878 176.300 -0.066 0.000 1.064 222 M CA 1.956 57.218 55.300 -0.063 0.000 1.102 222 M CB -0.206 32.369 32.600 -0.042 0.000 1.369 222 M HN 0.156 nan 8.290 nan 0.000 0.408 223 D N 0.707 121.071 120.400 -0.060 0.000 2.097 223 D HA -0.157 4.483 4.640 -0.000 0.000 0.195 223 D C 2.053 178.313 176.300 -0.066 0.000 0.989 223 D CA 1.451 55.419 54.000 -0.053 0.000 0.827 223 D CB -0.528 40.244 40.800 -0.046 0.000 0.966 223 D HN 0.430 nan 8.370 nan 0.000 0.456 224 L N 0.147 121.319 121.223 -0.085 0.000 2.046 224 L HA -0.138 4.202 4.340 -0.000 0.000 0.208 224 L C 2.459 179.218 176.870 -0.185 0.000 1.077 224 L CA 0.806 55.580 54.840 -0.111 0.000 0.747 224 L CB -0.331 41.657 42.059 -0.119 0.000 0.896 224 L HN 0.027 nan 8.230 nan 0.000 0.432 225 L N -1.097 120.002 121.223 -0.207 0.000 2.418 225 L HA 0.104 4.444 4.340 -0.000 0.000 0.218 225 L C 1.691 178.482 176.870 -0.132 0.000 1.125 225 L CA 0.417 55.103 54.840 -0.257 0.000 0.835 225 L CB -0.771 41.161 42.059 -0.213 0.000 0.953 225 L HN 0.463 nan 8.230 nan 0.000 0.454 226 G N 1.937 110.686 108.800 -0.085 0.000 2.622 226 G HA2 -0.458 3.502 3.960 -0.000 0.000 0.307 226 G HA3 -0.458 3.502 3.960 -0.000 0.000 0.307 226 G C 0.454 175.335 174.900 -0.031 0.000 1.226 226 G CA 0.580 45.654 45.100 -0.044 0.000 0.997 226 G HN 0.530 nan 8.290 nan 0.000 0.551 227 D N 0.824 121.217 120.400 -0.012 0.000 2.352 227 D HA 0.081 4.721 4.640 -0.000 0.000 0.232 227 D C 2.022 178.326 176.300 0.006 0.000 1.055 227 D CA 0.693 54.694 54.000 0.002 0.000 0.891 227 D CB -0.275 40.534 40.800 0.015 0.000 0.897 227 D HN 0.626 nan 8.370 nan 0.000 0.529 228 R N -0.129 120.366 120.500 -0.009 0.000 2.235 228 R HA 0.090 4.430 4.340 -0.000 0.000 0.213 228 R C 0.195 176.475 176.300 -0.034 0.000 1.059 228 R CA 0.307 56.402 56.100 -0.008 0.000 0.997 228 R CB 0.233 30.521 30.300 -0.019 0.000 0.884 228 R HN 0.107 nan 8.270 nan 0.000 0.462 229 V N 2.862 122.751 119.914 -0.043 0.000 2.406 229 V HA 0.122 4.242 4.120 -0.000 0.000 0.272 229 V C -0.118 175.950 176.094 -0.044 0.000 1.043 229 V CA -0.406 61.861 62.300 -0.054 0.000 0.915 229 V CB 1.396 33.188 31.823 -0.052 0.000 0.988 229 V HN 0.036 nan 8.190 nan 0.000 0.466 230 K N 6.513 126.873 120.400 -0.067 0.000 2.389 230 K HA 0.538 4.858 4.320 -0.000 0.000 0.261 230 K C -0.715 175.848 176.600 -0.061 0.000 1.014 230 K CA -0.319 55.939 56.287 -0.049 0.000 0.920 230 K CB 1.852 34.311 32.500 -0.068 0.000 1.149 230 K HN 0.499 nan 8.250 nan 0.000 0.444 231 L N 1.626 122.826 121.223 -0.038 0.000 2.399 231 L HA 0.184 4.524 4.340 -0.000 0.000 0.266 231 L C 0.708 177.550 176.870 -0.046 0.000 1.114 231 L CA -0.191 54.622 54.840 -0.045 0.000 0.804 231 L CB 0.257 42.300 42.059 -0.027 0.000 1.146 231 L HN 0.697 nan 8.230 nan 0.000 0.451 232 E N 0.598 120.757 120.200 -0.069 0.000 2.389 232 E HA -0.225 4.125 4.350 -0.000 0.000 0.243 232 E C -0.498 176.060 176.600 -0.070 0.000 1.154 232 E CA 0.267 56.625 56.400 -0.070 0.000 0.723 232 E CB -0.836 28.845 29.700 -0.032 0.000 1.261 232 E HN 0.379 nan 8.360 nan 0.000 0.390 233 R N 0.165 120.605 120.500 -0.100 0.000 2.724 233 R HA 0.251 4.591 4.340 -0.000 0.000 0.284 233 R C -2.726 173.491 176.300 -0.137 0.000 1.481 233 R CA -2.000 54.048 56.100 -0.088 0.000 1.652 233 R CB 0.612 30.862 30.300 -0.083 0.000 1.175 233 R HN -0.013 nan 8.270 nan 0.000 0.613 234 P HA 0.012 nan 4.420 nan 0.000 0.271 234 P C -0.332 176.924 177.300 -0.074 0.000 1.226 234 P CA -0.161 62.829 63.100 -0.184 0.000 0.765 234 P CB 0.926 32.536 31.700 -0.150 0.000 0.835 235 V N 5.582 125.462 119.914 -0.057 0.000 2.555 235 V HA 0.071 4.191 4.120 -0.000 0.000 0.286 235 V C 1.685 177.792 176.094 0.020 0.000 1.044 235 V CA 0.397 62.686 62.300 -0.019 0.000 1.026 235 V CB 0.392 32.194 31.823 -0.035 0.000 0.981 235 V HN 0.543 nan 8.190 nan 0.000 0.480 236 I N 1.801 122.397 120.570 0.043 0.000 4.323 236 I HA 0.452 4.622 4.170 -0.000 0.000 0.328 236 I C -0.034 176.176 176.117 0.155 0.000 1.310 236 I CA 0.105 61.463 61.300 0.095 0.000 1.186 236 I CB 0.640 38.672 38.000 0.054 0.000 1.130 236 I HN 0.505 nan 8.210 nan 0.000 0.411 237 Y N 1.781 122.026 120.300 -0.091 0.000 2.436 237 Y HA 0.674 5.224 4.550 -0.000 0.000 0.327 237 Y C -1.956 173.863 175.900 -0.135 0.000 1.138 237 Y CA -1.542 56.487 58.100 -0.118 0.000 1.042 237 Y CB 1.602 40.025 38.460 -0.063 0.000 1.302 237 Y HN -0.008 nan 8.280 nan 0.000 0.439 238 I N 5.819 125.975 120.570 -0.690 0.000 2.478 238 I HA 0.306 4.476 4.170 -0.000 0.000 0.287 238 I C -1.411 174.325 176.117 -0.635 0.000 1.042 238 I CA -0.687 60.298 61.300 -0.526 0.000 1.067 238 I CB 1.865 39.697 38.000 -0.280 0.000 1.233 238 I HN 0.523 nan 8.210 nan 0.000 0.431 239 D N 6.019 126.108 120.400 -0.517 0.000 2.425 239 D HA 0.280 4.920 4.640 -0.000 0.000 0.240 239 D C -0.281 175.946 176.300 -0.122 0.000 1.080 239 D CA -0.198 53.592 54.000 -0.350 0.000 0.836 239 D CB 1.709 42.330 40.800 -0.299 0.000 1.125 239 D HN 0.506 nan 8.370 nan 0.000 0.525 240 Q N 1.734 121.503 119.800 -0.052 0.000 2.172 240 Q HA 0.075 4.415 4.340 -0.000 0.000 0.217 240 Q C 1.158 177.156 176.000 -0.004 0.000 0.832 240 Q CA 0.014 55.807 55.803 -0.018 0.000 1.010 240 Q CB 0.855 29.598 28.738 0.009 0.000 1.133 240 Q HN 0.579 nan 8.270 nan 0.000 0.489 241 T N -2.548 112.008 114.554 0.003 0.000 3.067 241 T HA 0.111 4.461 4.350 -0.000 0.000 0.261 241 T C 0.958 175.664 174.700 0.010 0.000 1.110 241 T CA 0.237 62.346 62.100 0.016 0.000 1.113 241 T CB 0.295 69.184 68.868 0.034 0.000 0.917 241 T HN 0.056 nan 8.240 nan 0.000 0.499 242 R N 0.216 120.717 120.500 0.002 0.000 2.810 242 R HA 0.476 4.816 4.340 -0.000 0.000 0.245 242 R C 1.390 177.681 176.300 -0.016 0.000 1.168 242 R CA -0.839 55.260 56.100 -0.002 0.000 1.096 242 R CB 0.803 31.105 30.300 0.003 0.000 1.259 242 R HN 0.040 nan 8.270 nan 0.000 0.518 243 E N 0.698 120.887 120.200 -0.018 0.000 2.058 243 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 243 E C -0.209 176.359 176.600 -0.053 0.000 0.997 243 E CA 1.267 57.649 56.400 -0.031 0.000 0.801 243 E CB 0.146 29.831 29.700 -0.024 0.000 0.746 243 E HN 0.298 nan 8.360 nan 0.000 0.450 244 N N -0.031 118.641 118.700 -0.046 0.000 2.456 244 N HA 0.167 4.907 4.740 -0.000 0.000 0.296 244 N C -0.744 174.737 175.510 -0.048 0.000 1.102 244 N CA -0.340 52.674 53.050 -0.060 0.000 0.924 244 N CB 1.988 40.450 38.487 -0.041 0.000 1.186 244 N HN -0.194 nan 8.380 nan 0.000 0.492 245 V N 1.876 121.754 119.914 -0.059 0.000 2.637 245 V HA 0.176 4.296 4.120 -0.000 0.000 0.296 245 V C 0.505 176.589 176.094 -0.018 0.000 1.046 245 V CA -0.255 62.021 62.300 -0.040 0.000 1.066 245 V CB 0.235 32.037 31.823 -0.035 0.000 0.968 245 V HN 0.367 nan 8.190 nan 0.000 0.483 246 L N 5.346 126.552 121.223 -0.028 0.000 2.296 246 L HA 0.593 4.933 4.340 -0.000 0.000 0.286 246 L C -0.689 176.169 176.870 -0.020 0.000 1.023 246 L CA -0.585 54.255 54.840 0.001 0.000 0.812 246 L CB 1.893 43.963 42.059 0.019 0.000 1.223 246 L HN 0.379 nan 8.230 nan 0.000 0.421 247 V N 2.777 122.725 119.914 0.056 0.000 2.407 247 V HA 0.345 4.465 4.120 -0.000 0.000 0.291 247 V C -0.248 175.940 176.094 0.158 0.000 1.018 247 V CA -0.645 61.691 62.300 0.061 0.000 0.842 247 V CB 1.743 33.599 31.823 0.055 0.000 0.996 247 V HN 0.719 nan 8.190 nan 0.000 0.426 248 E N 2.928 123.219 120.200 0.152 0.000 2.191 248 E HA 0.634 4.984 4.350 -0.000 0.000 0.274 248 E C -0.186 176.487 176.600 0.122 0.000 0.948 248 E CA -0.462 56.046 56.400 0.179 0.000 0.802 248 E CB 1.727 31.565 29.700 0.229 0.000 1.137 248 E HN 0.843 nan 8.360 nan 0.000 0.397 249 T N 1.066 115.685 114.554 0.108 0.000 2.944 249 T HA 0.190 4.540 4.350 -0.000 0.000 0.284 249 T C 0.977 175.639 174.700 -0.062 0.000 1.010 249 T CA -0.845 61.275 62.100 0.033 0.000 1.025 249 T CB 1.129 70.033 68.868 0.060 0.000 1.079 249 T HN 0.445 nan 8.240 nan 0.000 0.516 250 L N 1.379 122.541 121.223 -0.101 0.000 2.079 250 L HA -0.030 4.310 4.340 -0.000 0.000 0.210 250 L C 1.975 178.580 176.870 -0.441 0.000 1.081 250 L CA 1.829 56.550 54.840 -0.198 0.000 0.752 250 L CB -0.908 41.093 42.059 -0.096 0.000 0.896 250 L HN 0.898 nan 8.230 nan 0.000 0.433 251 N N -1.058 117.480 118.700 -0.270 0.000 2.413 251 N HA -0.129 4.611 4.740 -0.000 0.000 0.207 251 N C -0.443 175.000 175.510 -0.111 0.000 1.206 251 N CA 0.377 53.299 53.050 -0.213 0.000 0.832 251 N CB -0.887 37.583 38.487 -0.028 0.000 1.037 251 N HN 0.618 nan 8.380 nan 0.000 0.467 252 H N -1.436 117.650 119.070 0.027 0.000 2.880 252 H HA -0.121 4.435 4.556 -0.000 0.000 0.304 252 H C -0.910 174.423 175.328 0.008 0.000 1.259 252 H CA 0.855 56.910 56.048 0.012 0.000 1.153 252 H CB -2.146 27.614 29.762 -0.004 0.000 1.395 252 H HN 0.524 nan 8.280 nan 0.000 0.420 253 E N 0.092 120.344 120.200 0.086 0.000 2.244 253 E HA 0.578 4.928 4.350 -0.000 0.000 0.266 253 E C -0.278 176.329 176.600 0.011 0.000 0.914 253 E CA -1.320 55.093 56.400 0.022 0.000 0.794 253 E CB 1.848 31.589 29.700 0.069 0.000 1.210 253 E HN 0.104 nan 8.360 nan 0.000 0.414 254 M N 2.448 121.954 119.600 -0.155 0.000 2.321 254 M HA 0.371 4.851 4.480 -0.000 0.000 0.315 254 M C -2.055 174.045 176.300 -0.333 0.000 1.052 254 M CA -0.423 54.819 55.300 -0.095 0.000 0.936 254 M CB 0.914 33.492 32.600 -0.038 0.000 1.639 254 M HN 0.397 nan 8.290 nan 0.000 0.433 255 Y N 1.702 122.011 120.300 0.015 0.000 2.429 255 Y HA 0.603 5.153 4.550 -0.000 0.000 0.342 255 Y C -0.415 175.486 175.900 0.002 0.000 1.004 255 Y CA -0.684 57.421 58.100 0.007 0.000 1.075 255 Y CB 1.714 40.175 38.460 0.003 0.000 1.214 255 Y HN 0.599 nan 8.280 nan 0.000 0.455 256 E N 1.819 122.087 120.200 0.113 0.000 2.199 256 E HA 0.829 5.179 4.350 -0.000 0.000 0.265 256 E C -1.522 175.113 176.600 0.059 0.000 0.882 256 E CA -0.672 55.762 56.400 0.058 0.000 0.759 256 E CB 1.211 30.921 29.700 0.018 0.000 1.148 256 E HN 0.775 nan 8.360 nan 0.000 0.412 257 A N 3.691 126.530 122.820 0.032 0.000 2.594 257 A HA 0.377 4.697 4.320 -0.000 0.000 0.291 257 A C -0.039 177.516 177.584 -0.049 0.000 1.105 257 A CA -0.650 51.399 52.037 0.020 0.000 0.694 257 A CB 1.527 20.558 19.000 0.052 0.000 1.291 257 A HN 0.693 nan 8.150 nan 0.000 0.410 258 K N -0.815 119.537 120.400 -0.080 0.000 2.116 258 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 258 K C -0.682 175.567 176.600 -0.586 0.000 1.052 258 K CA 1.493 57.596 56.287 -0.307 0.000 0.952 258 K CB -0.072 32.281 32.500 -0.245 0.000 0.729 258 K HN 0.606 nan 8.250 nan 0.000 0.446 259 Y N -1.393 118.928 120.300 0.035 0.000 2.625 259 Y HA 0.398 4.948 4.550 -0.000 0.000 0.338 259 Y C -0.658 175.267 175.900 0.043 0.000 1.123 259 Y CA -1.299 56.839 58.100 0.063 0.000 1.046 259 Y CB 1.810 40.303 38.460 0.054 0.000 1.299 259 Y HN -0.430 nan 8.280 nan 0.000 0.464 260 V N 2.906 122.960 119.914 0.233 0.000 2.735 260 V HA 0.493 4.613 4.120 -0.000 0.000 0.310 260 V C -0.707 175.436 176.094 0.082 0.000 1.061 260 V CA -0.872 61.491 62.300 0.105 0.000 0.913 260 V CB 2.215 34.066 31.823 0.046 0.000 1.005 260 V HN 0.540 nan 8.190 nan 0.000 0.428 261 I N 2.613 123.199 120.570 0.027 0.000 2.378 261 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 261 I C 0.210 176.309 176.117 -0.030 0.000 0.992 261 I CA -0.191 61.102 61.300 -0.011 0.000 1.154 261 I CB 1.946 39.948 38.000 0.004 0.000 1.315 261 I HN 0.596 nan 8.210 nan 0.000 0.448 262 S N 5.338 120.984 115.700 -0.091 0.000 2.411 262 S HA 0.539 5.009 4.470 -0.000 0.000 0.294 262 S C 0.356 175.031 174.600 0.125 0.000 1.115 262 S CA -0.453 57.767 58.200 0.034 0.000 1.071 262 S CB 0.546 63.800 63.200 0.091 0.000 0.967 262 S HN 0.709 nan 8.310 nan 0.000 0.488 263 A N 5.983 128.867 122.820 0.108 0.000 2.911 263 A HA 0.481 4.801 4.320 -0.000 0.000 0.304 263 A C 0.249 177.909 177.584 0.126 0.000 1.144 263 A CA -0.685 51.422 52.037 0.116 0.000 0.988 263 A CB -0.543 18.501 19.000 0.073 0.000 1.141 263 A HN 0.904 nan 8.150 nan 0.000 0.552 264 I N -3.974 116.690 120.570 0.157 0.000 2.797 264 I HA 0.683 4.853 4.170 -0.000 0.000 0.307 264 I C -2.928 173.285 176.117 0.160 0.000 1.033 264 I CA -3.133 58.256 61.300 0.149 0.000 1.071 264 I CB 1.605 39.694 38.000 0.149 0.000 1.255 264 I HN -0.154 nan 8.210 nan 0.000 0.445 265 P HA 0.117 nan 4.420 nan 0.000 0.265 265 P C -2.179 175.175 177.300 0.089 0.000 1.187 265 P CA -0.602 62.566 63.100 0.113 0.000 0.766 265 P CB -0.036 31.718 31.700 0.089 0.000 0.820 266 P HA -0.225 nan 4.420 nan 0.000 0.216 266 P C 1.619 178.901 177.300 -0.029 0.000 1.157 266 P CA 1.913 65.016 63.100 0.005 0.000 0.880 266 P CB -0.245 31.423 31.700 -0.053 0.000 0.791 267 T N -1.432 113.080 114.554 -0.071 0.000 2.915 267 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 267 T C 1.511 176.201 174.700 -0.017 0.000 1.071 267 T CA 0.712 62.759 62.100 -0.087 0.000 1.132 267 T CB -0.816 67.964 68.868 -0.146 0.000 0.878 267 T HN -0.042 nan 8.240 nan 0.000 0.479 268 L N 0.397 121.640 121.223 0.033 0.000 2.551 268 L HA 0.134 4.474 4.340 -0.000 0.000 0.228 268 L C 2.788 179.732 176.870 0.122 0.000 1.153 268 L CA 0.674 55.562 54.840 0.080 0.000 0.851 268 L CB -0.693 41.439 42.059 0.122 0.000 0.959 268 L HN 0.348 nan 8.230 nan 0.000 0.451 269 G N -0.201 108.683 108.800 0.140 0.000 2.479 269 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.220 269 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.220 269 G C 1.602 176.644 174.900 0.236 0.000 1.115 269 G CA 0.247 45.491 45.100 0.240 0.000 0.757 269 G HN 0.158 nan 8.290 nan 0.000 0.560 270 M N 0.273 119.937 119.600 0.107 0.000 2.374 270 M HA 0.014 4.494 4.480 -0.000 0.000 0.264 270 M C 2.069 178.383 176.300 0.023 0.000 1.067 270 M CA 0.991 56.322 55.300 0.052 0.000 1.103 270 M CB -0.395 32.198 32.600 -0.013 0.000 1.402 270 M HN 0.237 nan 8.290 nan 0.000 0.444 271 K N -0.002 120.433 120.400 0.058 0.000 2.525 271 K HA 0.153 4.473 4.320 -0.000 0.000 0.192 271 K C 0.364 177.006 176.600 0.070 0.000 1.029 271 K CA 0.423 56.750 56.287 0.067 0.000 1.029 271 K CB 0.193 32.769 32.500 0.127 0.000 0.814 271 K HN 0.325 nan 8.250 nan 0.000 0.503 272 I N 1.298 121.873 120.570 0.008 0.000 2.404 272 I HA 0.133 4.303 4.170 -0.000 0.000 0.293 272 I C 0.112 176.070 176.117 -0.265 0.000 0.992 272 I CA -0.761 60.452 61.300 -0.145 0.000 1.149 272 I CB 1.330 39.100 38.000 -0.383 0.000 1.315 272 I HN 0.049 nan 8.210 nan 0.000 0.446 273 H N 6.060 125.024 119.070 -0.176 0.000 2.527 273 H HA 0.343 4.899 4.556 -0.000 0.000 0.321 273 H C -1.103 174.133 175.328 -0.153 0.000 1.087 273 H CA -0.198 55.849 56.048 -0.001 0.000 1.337 273 H CB 1.203 31.051 29.762 0.145 0.000 1.440 273 H HN 0.323 nan 8.280 nan 0.000 0.490 274 F N 1.968 122.024 119.950 0.176 0.000 2.443 274 F HA 0.166 4.693 4.527 -0.000 0.000 0.335 274 F C 0.595 176.439 175.800 0.073 0.000 1.104 274 F CA -0.702 57.332 58.000 0.057 0.000 1.013 274 F CB 1.351 40.371 39.000 0.033 0.000 1.136 274 F HN 0.473 nan 8.300 nan 0.000 0.470 275 N N 4.455 123.237 118.700 0.136 0.000 2.461 275 N HA 0.420 5.160 4.740 -0.000 0.000 0.284 275 N C -3.029 172.525 175.510 0.073 0.000 1.049 275 N CA -2.351 50.774 53.050 0.125 0.000 0.889 275 N CB 2.183 40.768 38.487 0.164 0.000 1.365 275 N HN 0.068 nan 8.380 nan 0.000 0.499 276 P HA 0.298 nan 4.420 nan 0.000 0.274 276 P C -2.638 174.738 177.300 0.127 0.000 1.260 276 P CA -0.943 62.215 63.100 0.097 0.000 0.793 276 P CB -0.418 31.318 31.700 0.061 0.000 1.048 277 P HA 0.083 nan 4.420 nan 0.000 0.268 277 P C 0.100 177.414 177.300 0.023 0.000 1.208 277 P CA 0.249 63.411 63.100 0.104 0.000 0.777 277 P CB 0.168 31.909 31.700 0.069 0.000 0.875 278 L N 3.319 124.505 121.223 -0.062 0.000 2.483 278 L HA 0.125 4.465 4.340 -0.000 0.000 0.275 278 L C -1.637 175.177 176.870 -0.094 0.000 1.220 278 L CA -1.546 53.187 54.840 -0.178 0.000 0.833 278 L CB -0.712 41.151 42.059 -0.326 0.000 1.102 278 L HN 0.302 nan 8.230 nan 0.000 0.490 279 P HA -0.064 nan 4.420 nan 0.000 0.268 279 P C 0.652 177.919 177.300 -0.055 0.000 1.208 279 P CA -0.167 62.898 63.100 -0.058 0.000 0.777 279 P CB 0.451 32.116 31.700 -0.059 0.000 0.875 280 M N 1.989 121.570 119.600 -0.032 0.000 2.089 280 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 280 M C 1.140 177.445 176.300 0.009 0.000 1.071 280 M CA 2.326 57.618 55.300 -0.014 0.000 1.096 280 M CB -0.371 32.225 32.600 -0.006 0.000 1.330 280 M HN 0.165 nan 8.290 nan 0.000 0.403 281 M N -0.334 119.268 119.600 0.003 0.000 2.132 281 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 281 M C 2.315 178.656 176.300 0.068 0.000 1.065 281 M CA 1.730 57.074 55.300 0.073 0.000 1.122 281 M CB -1.417 31.172 32.600 -0.019 0.000 1.365 281 M HN 0.442 nan 8.290 nan 0.000 0.411 282 R N 0.381 120.847 120.500 -0.056 0.000 2.092 282 R HA -0.160 4.180 4.340 -0.000 0.000 0.231 282 R C 2.002 178.211 176.300 -0.152 0.000 1.119 282 R CA 1.654 57.669 56.100 -0.141 0.000 0.970 282 R CB -0.200 29.965 30.300 -0.226 0.000 0.864 282 R HN 0.327 nan 8.270 nan 0.000 0.440 283 N N 0.476 119.104 118.700 -0.120 0.000 2.094 283 N HA -0.223 4.517 4.740 -0.000 0.000 0.191 283 N C 1.579 177.019 175.510 -0.116 0.000 1.023 283 N CA 1.882 54.868 53.050 -0.107 0.000 0.857 283 N CB 0.030 38.479 38.487 -0.064 0.000 1.013 283 N HN 0.344 nan 8.380 nan 0.000 0.426 284 Q N -1.093 118.645 119.800 -0.104 0.000 2.212 284 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 284 Q C 1.956 177.696 176.000 -0.433 0.000 0.950 284 Q CA 0.590 56.275 55.803 -0.197 0.000 0.863 284 Q CB -0.097 28.591 28.738 -0.082 0.000 0.944 284 Q HN 0.497 nan 8.270 nan 0.000 0.465 285 M N 1.623 120.969 119.600 -0.424 0.000 2.108 285 M HA -0.156 4.324 4.480 -0.000 0.000 0.261 285 M C 1.989 178.052 176.300 -0.395 0.000 1.066 285 M CA 1.622 56.609 55.300 -0.521 0.000 1.107 285 M CB -0.425 32.049 32.600 -0.211 0.000 1.356 285 M HN 0.296 nan 8.290 nan 0.000 0.406 286 I N -1.526 118.877 120.570 -0.279 0.000 3.334 286 I HA -0.066 4.104 4.170 -0.000 0.000 0.282 286 I C 1.428 177.413 176.117 -0.220 0.000 1.313 286 I CA 1.350 62.516 61.300 -0.224 0.000 1.396 286 I CB -0.999 36.914 38.000 -0.145 0.000 1.054 286 I HN 0.302 nan 8.210 nan 0.000 0.495 287 T N -2.459 111.943 114.554 -0.253 0.000 3.069 287 T HA 0.280 4.630 4.350 -0.000 0.000 0.252 287 T C 1.472 176.002 174.700 -0.285 0.000 1.053 287 T CA -0.206 61.756 62.100 -0.229 0.000 0.964 287 T CB -0.049 68.708 68.868 -0.186 0.000 1.005 287 T HN 0.420 nan 8.240 nan 0.000 0.532 288 R N 0.947 121.219 120.500 -0.381 0.000 2.508 288 R HA 0.322 4.662 4.340 -0.000 0.000 0.300 288 R C -0.118 175.863 176.300 -0.532 0.000 0.970 288 R CA -0.005 55.841 56.100 -0.423 0.000 1.102 288 R CB 1.319 31.316 30.300 -0.505 0.000 1.246 288 R HN 0.432 nan 8.270 nan 0.000 0.539 289 V N -0.743 118.835 119.914 -0.560 0.000 2.383 289 V HA 0.464 4.584 4.120 -0.000 0.000 0.261 289 V C -2.701 173.024 176.094 -0.615 0.000 0.987 289 V CA -2.376 59.472 62.300 -0.753 0.000 0.853 289 V CB 0.748 32.083 31.823 -0.813 0.000 1.095 289 V HN -0.113 nan 8.190 nan 0.000 0.461 290 P HA 0.496 nan 4.420 nan 0.000 0.276 290 P C -0.641 176.337 177.300 -0.537 0.000 1.261 290 P CA -0.333 62.428 63.100 -0.566 0.000 0.800 290 P CB 1.765 33.111 31.700 -0.589 0.000 1.066 291 L N 0.204 121.291 121.223 -0.227 0.000 2.352 291 L HA 0.579 4.919 4.340 -0.000 0.000 0.269 291 L C 1.465 178.393 176.870 0.098 0.000 1.034 291 L CA -0.171 54.638 54.840 -0.052 0.000 0.806 291 L CB 0.533 42.592 42.059 -0.001 0.000 1.244 291 L HN 0.472 nan 8.230 nan 0.000 0.447 292 G N -0.029 108.857 108.800 0.143 0.000 2.611 292 G HA2 0.419 4.379 3.960 -0.000 0.000 0.273 292 G HA3 0.419 4.379 3.960 -0.000 0.000 0.273 292 G C -0.768 174.134 174.900 0.003 0.000 1.305 292 G CA -0.352 44.794 45.100 0.076 0.000 1.010 292 G HN 0.497 nan 8.290 nan 0.000 0.509 293 S N -1.462 114.208 115.700 -0.050 0.000 2.561 293 S HA 0.597 5.067 4.470 -0.000 0.000 0.303 293 S C -1.053 173.522 174.600 -0.042 0.000 1.110 293 S CA -0.503 57.694 58.200 -0.006 0.000 1.034 293 S CB 1.723 64.932 63.200 0.015 0.000 1.010 293 S HN 0.839 nan 8.310 nan 0.000 0.482 294 V N 4.743 124.682 119.914 0.042 0.000 3.000 294 V HA 0.560 4.680 4.120 -0.000 0.000 0.300 294 V C -1.948 174.294 176.094 0.247 0.000 1.251 294 V CA -0.731 61.621 62.300 0.087 0.000 0.972 294 V CB 1.772 33.565 31.823 -0.049 0.000 1.065 294 V HN 0.883 nan 8.190 nan 0.000 0.431 295 I N 5.361 126.089 120.570 0.264 0.000 2.362 295 I HA 0.507 4.677 4.170 -0.000 0.000 0.289 295 I C -0.165 176.198 176.117 0.409 0.000 0.994 295 I CA -0.587 60.892 61.300 0.298 0.000 1.158 295 I CB 1.652 39.769 38.000 0.195 0.000 1.315 295 I HN 0.533 nan 8.210 nan 0.000 0.451 296 K N 5.994 126.676 120.400 0.470 0.000 2.227 296 K HA 0.565 4.885 4.320 -0.000 0.000 0.280 296 K C -1.433 175.301 176.600 0.224 0.000 1.041 296 K CA -0.289 56.258 56.287 0.433 0.000 0.905 296 K CB 0.932 33.756 32.500 0.540 0.000 1.068 296 K HN 0.685 nan 8.250 nan 0.000 0.470 297 C N 5.326 124.715 119.300 0.149 0.000 2.441 297 C HA 0.566 5.026 4.460 -0.000 0.000 0.318 297 C C -0.917 174.137 174.990 0.108 0.000 1.222 297 C CA -1.040 58.062 59.018 0.140 0.000 1.474 297 C CB 0.127 28.051 27.740 0.305 0.000 2.125 297 C HN 0.747 nan 8.230 nan 0.000 0.479 298 I N 3.186 123.785 120.570 0.048 0.000 2.439 298 I HA 0.408 4.578 4.170 -0.000 0.000 0.285 298 I C -0.276 175.879 176.117 0.063 0.000 1.021 298 I CA -0.120 61.166 61.300 -0.022 0.000 1.091 298 I CB 1.443 39.383 38.000 -0.100 0.000 1.242 298 I HN 0.341 nan 8.210 nan 0.000 0.439 299 V N 6.707 126.653 119.914 0.052 0.000 2.394 299 V HA 0.375 4.495 4.120 -0.000 0.000 0.282 299 V C -0.599 175.331 176.094 -0.274 0.000 1.031 299 V CA -0.670 61.662 62.300 0.053 0.000 0.881 299 V CB 0.825 32.722 31.823 0.123 0.000 0.982 299 V HN 0.409 nan 8.190 nan 0.000 0.451 300 Y N 4.078 124.324 120.300 -0.091 0.000 2.361 300 Y HA 0.662 5.212 4.550 -0.000 0.000 0.332 300 Y C -0.250 175.505 175.900 -0.242 0.000 1.101 300 Y CA -0.314 57.783 58.100 -0.005 0.000 1.137 300 Y CB 1.426 39.979 38.460 0.155 0.000 1.207 300 Y HN 0.533 nan 8.280 nan 0.000 0.463 301 Y N -0.040 120.514 120.300 0.422 0.000 2.605 301 Y HA 0.284 4.834 4.550 -0.000 0.000 0.343 301 Y C 1.123 177.169 175.900 0.244 0.000 1.036 301 Y CA -1.381 56.937 58.100 0.363 0.000 1.065 301 Y CB 1.858 40.630 38.460 0.520 0.000 1.288 301 Y HN 0.491 nan 8.280 nan 0.000 0.481 302 K N 0.403 121.021 120.400 0.364 0.000 2.057 302 K HA -0.076 4.244 4.320 -0.000 0.000 0.207 302 K C -0.550 176.123 176.600 0.121 0.000 1.049 302 K CA 1.687 58.081 56.287 0.178 0.000 0.931 302 K CB 0.181 32.758 32.500 0.128 0.000 0.714 302 K HN 0.727 nan 8.250 nan 0.000 0.440 303 E N -0.608 119.680 120.200 0.147 0.000 2.393 303 E HA 0.210 4.560 4.350 -0.000 0.000 0.273 303 E C -2.647 173.822 176.600 -0.219 0.000 0.918 303 E CA -2.311 54.079 56.400 -0.016 0.000 0.773 303 E CB 2.195 31.877 29.700 -0.030 0.000 1.275 303 E HN -0.017 nan 8.360 nan 0.000 0.451 304 P HA 0.027 nan 4.420 nan 0.000 0.230 304 P C 0.265 176.619 177.300 -1.576 0.000 1.791 304 P CA -0.011 62.140 63.100 -1.581 0.000 1.020 304 P CB -0.926 30.169 31.700 -1.009 0.000 1.977 305 F N -0.061 119.327 119.950 -0.937 0.000 2.269 305 F HA -0.105 4.422 4.527 -0.000 0.000 0.301 305 F C 1.726 177.359 175.800 -0.279 0.000 1.082 305 F CA -0.043 57.700 58.000 -0.427 0.000 1.360 305 F CB -1.724 37.156 39.000 -0.200 0.000 1.041 305 F HN 0.122 nan 8.300 nan 0.000 0.512 306 W N 1.272 122.219 121.300 -0.588 0.000 2.374 306 W HA 0.049 4.709 4.660 0.000 0.000 0.288 306 W C 2.014 178.467 176.519 -0.109 0.000 1.218 306 W CA 0.770 57.972 57.345 -0.237 0.000 1.245 306 W CB -1.109 28.152 29.460 -0.331 0.000 1.126 306 W HN -0.142 nan 8.180 nan 0.000 0.545 307 R N 1.222 121.486 120.500 -0.394 0.000 2.152 307 R HA -0.095 4.245 4.340 -0.000 0.000 0.232 307 R C 1.963 178.171 176.300 -0.153 0.000 1.117 307 R CA 1.712 57.688 56.100 -0.207 0.000 0.981 307 R CB -0.412 29.710 30.300 -0.298 0.000 0.870 307 R HN 0.301 nan 8.270 nan 0.000 0.451 308 K N 0.565 120.872 120.400 -0.154 0.000 2.288 308 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 308 K C 1.298 177.822 176.600 -0.126 0.000 1.048 308 K CA 0.899 57.120 56.287 -0.109 0.000 0.956 308 K CB 0.154 32.612 32.500 -0.070 0.000 0.746 308 K HN 0.102 nan 8.250 nan 0.000 0.461 309 K N 0.842 121.135 120.400 -0.179 0.000 2.410 309 K HA -0.019 4.301 4.320 -0.000 0.000 0.200 309 K C -0.507 175.743 176.600 -0.583 0.000 1.023 309 K CA 0.103 56.168 56.287 -0.371 0.000 1.149 309 K CB 0.353 32.594 32.500 -0.431 0.000 0.859 309 K HN 0.010 nan 8.250 nan 0.000 0.514 310 D N 0.460 120.676 120.400 -0.307 0.000 2.800 310 D HA -0.216 4.424 4.640 -0.000 0.000 0.232 310 D C -1.379 174.848 176.300 -0.121 0.000 1.137 310 D CA 0.919 54.803 54.000 -0.192 0.000 0.718 310 D CB -1.468 39.242 40.800 -0.150 0.000 1.084 310 D HN 0.350 nan 8.370 nan 0.000 0.432 311 Y N -0.931 119.398 120.300 0.048 0.000 2.377 311 Y HA 0.323 4.873 4.550 -0.000 0.000 0.339 311 Y C 2.017 177.983 175.900 0.111 0.000 1.011 311 Y CA -0.970 57.158 58.100 0.048 0.000 1.093 311 Y CB 1.309 39.809 38.460 0.066 0.000 1.201 311 Y HN 0.251 nan 8.280 nan 0.000 0.455 312 C N -1.089 118.324 119.300 0.187 0.000 2.514 312 C HA 0.455 4.915 4.460 -0.000 0.000 0.271 312 C C 1.710 176.762 174.990 0.103 0.000 1.399 312 C CA 0.556 59.661 59.018 0.145 0.000 1.765 312 C CB -0.895 26.853 27.740 0.014 0.000 1.893 312 C HN 1.227 nan 8.230 nan 0.000 0.531 313 G N -0.243 108.457 108.800 -0.167 0.000 2.231 313 G HA2 -0.132 3.828 3.960 -0.000 0.000 0.206 313 G HA3 -0.132 3.828 3.960 -0.000 0.000 0.206 313 G C 0.041 174.606 174.900 -0.559 0.000 0.996 313 G CA 0.173 44.859 45.100 -0.690 0.000 0.645 313 G HN 0.549 nan 8.290 nan 0.000 0.498 314 T N 2.408 116.735 114.554 -0.379 0.000 2.814 314 T HA 0.625 4.975 4.350 -0.000 0.000 0.297 314 T C 0.296 174.792 174.700 -0.341 0.000 0.956 314 T CA 0.596 62.454 62.100 -0.403 0.000 1.123 314 T CB 0.801 69.493 68.868 -0.293 0.000 0.902 314 T HN 0.285 nan 8.240 nan 0.000 0.528 315 M N 4.051 123.432 119.600 -0.364 0.000 2.327 315 M HA 0.491 4.971 4.480 -0.000 0.000 0.298 315 M C -0.928 175.375 176.300 0.005 0.000 1.065 315 M CA -0.582 54.622 55.300 -0.159 0.000 0.916 315 M CB 2.229 34.705 32.600 -0.207 0.000 1.630 315 M HN 0.409 nan 8.290 nan 0.000 0.442 316 I N 4.690 125.409 120.570 0.248 0.000 2.354 316 I HA 0.450 4.620 4.170 -0.000 0.000 0.286 316 I C -0.856 175.531 176.117 0.450 0.000 1.007 316 I CA -0.303 61.245 61.300 0.414 0.000 1.167 316 I CB 1.028 39.285 38.000 0.428 0.000 1.320 316 I HN 0.604 nan 8.210 nan 0.000 0.458 317 I N 5.331 126.123 120.570 0.368 0.000 2.382 317 I HA 0.289 4.459 4.170 -0.000 0.000 0.285 317 I C -0.344 175.959 176.117 0.310 0.000 1.007 317 I CA -0.522 60.977 61.300 0.331 0.000 1.142 317 I CB 1.316 39.447 38.000 0.217 0.000 1.289 317 I HN 0.459 nan 8.210 nan 0.000 0.453 318 D N 4.407 124.995 120.400 0.313 0.000 2.312 318 D HA 0.679 5.319 4.640 -0.000 0.000 0.248 318 D C 0.184 176.603 176.300 0.198 0.000 1.086 318 D CA 0.556 54.704 54.000 0.246 0.000 0.948 318 D CB 1.888 42.824 40.800 0.228 0.000 1.162 318 D HN 0.797 nan 8.370 nan 0.000 0.446 319 G N 1.610 110.506 108.800 0.160 0.000 2.576 319 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.686 319 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.686 319 G C 0.403 175.381 174.900 0.131 0.000 1.242 319 G CA 0.141 45.321 45.100 0.133 0.000 0.819 319 G HN 0.438 nan 8.290 nan 0.000 0.655 320 E N 0.190 120.461 120.200 0.119 0.000 2.106 320 E HA -0.026 4.324 4.350 -0.000 0.000 0.192 320 E C 2.187 178.853 176.600 0.110 0.000 0.984 320 E CA 2.387 58.867 56.400 0.133 0.000 0.806 320 E CB -0.007 29.766 29.700 0.122 0.000 0.750 320 E HN 0.627 nan 8.360 nan 0.000 0.458 321 E N 0.496 120.751 120.200 0.092 0.000 2.150 321 E HA 0.059 4.409 4.350 -0.000 0.000 0.193 321 E C 0.391 177.028 176.600 0.061 0.000 0.985 321 E CA 0.906 57.349 56.400 0.072 0.000 0.814 321 E CB -0.401 29.338 29.700 0.066 0.000 0.752 321 E HN 0.283 nan 8.360 nan 0.000 0.466 322 A N 2.589 125.456 122.820 0.079 0.000 2.451 322 A HA 0.186 4.506 4.320 -0.000 0.000 0.266 322 A C -1.373 176.242 177.584 0.052 0.000 1.119 322 A CA -1.160 50.917 52.037 0.066 0.000 0.786 322 A CB 0.193 19.255 19.000 0.103 0.000 1.061 322 A HN -0.012 nan 8.150 nan 0.000 0.503 323 P HA -0.053 nan 4.420 nan 0.000 0.217 323 P C 0.254 177.591 177.300 0.061 0.000 1.150 323 P CA 1.024 64.135 63.100 0.018 0.000 0.832 323 P CB 0.094 31.788 31.700 -0.012 0.000 0.787 324 V N 0.086 120.057 119.914 0.095 0.000 2.448 324 V HA 0.476 4.596 4.120 -0.000 0.000 0.295 324 V C 1.111 177.327 176.094 0.203 0.000 1.025 324 V CA -0.116 62.289 62.300 0.175 0.000 0.859 324 V CB 1.367 33.326 31.823 0.226 0.000 0.988 324 V HN -0.020 nan 8.190 nan 0.000 0.431 325 A N 4.461 127.429 122.820 0.246 0.000 2.220 325 A HA 0.344 4.664 4.320 -0.000 0.000 0.211 325 A C 0.114 177.922 177.584 0.373 0.000 1.176 325 A CA 0.509 52.709 52.037 0.273 0.000 0.834 325 A CB 0.207 19.351 19.000 0.241 0.000 0.868 325 A HN 0.752 nan 8.150 nan 0.000 0.488 326 Y N -0.106 120.316 120.300 0.203 0.000 2.482 326 Y HA 0.476 5.026 4.550 -0.000 0.000 0.334 326 Y C -0.433 175.518 175.900 0.084 0.000 1.091 326 Y CA -0.410 57.794 58.100 0.173 0.000 1.027 326 Y CB 1.571 40.181 38.460 0.251 0.000 1.306 326 Y HN 0.130 nan 8.280 nan 0.000 0.446 327 T N 3.864 118.080 114.554 -0.562 0.000 2.896 327 T HA 0.867 5.217 4.350 -0.000 0.000 0.297 327 T C -1.557 172.691 174.700 -0.753 0.000 1.108 327 T CA -0.828 60.937 62.100 -0.558 0.000 1.004 327 T CB 1.855 70.397 68.868 -0.544 0.000 1.159 327 T HN 0.620 nan 8.240 nan 0.000 0.499 328 L N 0.914 121.828 121.223 -0.515 0.000 2.393 328 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 328 L C -0.707 175.965 176.870 -0.329 0.000 1.002 328 L CA -1.262 53.338 54.840 -0.399 0.000 0.818 328 L CB 2.235 44.137 42.059 -0.262 0.000 1.369 328 L HN 0.741 nan 8.230 nan 0.000 0.412 329 D N 0.770 121.017 120.400 -0.254 0.000 2.417 329 D HA -0.018 4.622 4.640 -0.000 0.000 0.250 329 D C -0.304 176.011 176.300 0.025 0.000 1.166 329 D CA 0.540 54.467 54.000 -0.122 0.000 0.881 329 D CB 1.260 42.109 40.800 0.082 0.000 1.164 329 D HN 0.497 nan 8.370 nan 0.000 0.467 330 D N 1.805 122.231 120.400 0.042 0.000 2.462 330 D HA 0.077 4.717 4.640 -0.000 0.000 0.221 330 D C -0.354 176.036 176.300 0.149 0.000 1.173 330 D CA -0.151 53.904 54.000 0.091 0.000 0.831 330 D CB 0.379 41.174 40.800 -0.010 0.000 1.001 330 D HN 0.228 nan 8.370 nan 0.000 0.499 331 T N 1.604 116.285 114.554 0.211 0.000 2.946 331 T HA 0.020 4.370 4.350 -0.000 0.000 0.311 331 T C 0.526 175.310 174.700 0.140 0.000 1.063 331 T CA -0.077 62.144 62.100 0.201 0.000 1.139 331 T CB 0.782 69.773 68.868 0.204 0.000 0.994 331 T HN -0.062 nan 8.240 nan 0.000 0.547 332 K N 3.926 124.369 120.400 0.072 0.000 2.319 332 K HA 0.081 4.401 4.320 -0.000 0.000 0.265 332 K C -1.440 175.057 176.600 -0.172 0.000 1.000 332 K CA -1.855 54.373 56.287 -0.098 0.000 0.943 332 K CB 0.178 32.654 32.500 -0.040 0.000 0.950 332 K HN 0.322 nan 8.250 nan 0.000 0.485 333 P HA -0.144 nan 4.420 nan 0.000 0.219 333 P C 0.404 177.636 177.300 -0.114 0.000 1.146 333 P CA 1.392 64.296 63.100 -0.327 0.000 0.808 333 P CB 0.318 31.721 31.700 -0.495 0.000 0.779 334 E N -1.189 118.962 120.200 -0.082 0.000 2.347 334 E HA 0.121 4.471 4.350 -0.000 0.000 0.196 334 E C 1.583 178.175 176.600 -0.014 0.000 1.008 334 E CA 1.054 57.440 56.400 -0.024 0.000 0.852 334 E CB -0.756 28.951 29.700 0.012 0.000 0.783 334 E HN 0.315 nan 8.360 nan 0.000 0.505 335 G N 0.557 109.351 108.800 -0.010 0.000 2.179 335 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 335 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 335 G C 0.085 174.977 174.900 -0.013 0.000 0.990 335 G CA 0.188 45.278 45.100 -0.017 0.000 0.646 335 G HN 0.354 nan 8.290 nan 0.000 0.517 336 N N -0.682 118.030 118.700 0.021 0.000 2.563 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.288 336 N C 0.512 176.099 175.510 0.129 0.000 1.246 336 N CA -0.895 52.141 53.050 -0.023 0.000 0.946 336 N CB -0.001 38.398 38.487 -0.146 0.000 1.213 336 N HN 0.588 nan 8.380 nan 0.000 0.578 337 Y N -2.651 117.680 120.300 0.052 0.000 3.108 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.208 337 Y C 0.612 176.649 175.900 0.229 0.000 1.245 337 Y CA 0.328 58.512 58.100 0.141 0.000 1.171 337 Y CB -2.333 36.172 38.460 0.076 0.000 1.331 337 Y HN 0.753 nan 8.280 nan 0.000 0.534 338 A N 0.331 123.309 122.820 0.263 0.000 2.565 338 A HA 0.557 4.877 4.320 -0.000 0.000 0.237 338 A C 0.739 178.574 177.584 0.418 0.000 1.053 338 A CA 0.626 52.836 52.037 0.288 0.000 0.755 338 A CB 0.114 19.207 19.000 0.154 0.000 0.980 338 A HN 1.507 nan 8.150 nan 0.000 0.506 339 A N 2.367 125.440 122.820 0.421 0.000 2.605 339 A HA 0.617 4.937 4.320 -0.000 0.000 0.294 339 A C -1.031 176.559 177.584 0.010 0.000 1.062 339 A CA -0.535 51.560 52.037 0.097 0.000 0.682 339 A CB 0.944 19.650 19.000 -0.490 0.000 1.278 339 A HN 0.707 nan 8.150 nan 0.000 0.410 340 I N 2.514 122.983 120.570 -0.168 0.000 2.378 340 I HA 0.365 4.535 4.170 -0.000 0.000 0.291 340 I C -0.141 175.826 176.117 -0.250 0.000 0.992 340 I CA -0.414 60.647 61.300 -0.398 0.000 1.154 340 I CB 1.640 39.252 38.000 -0.646 0.000 1.315 340 I HN 0.754 nan 8.210 nan 0.000 0.448 341 M N 5.712 125.160 119.600 -0.254 0.000 2.188 341 M HA 0.575 5.055 4.480 -0.000 0.000 0.357 341 M C -0.280 175.871 176.300 -0.249 0.000 1.204 341 M CA -0.114 55.067 55.300 -0.198 0.000 1.095 341 M CB 1.026 33.531 32.600 -0.158 0.000 1.604 341 M HN 0.712 nan 8.290 nan 0.000 0.464 342 G N 4.442 113.156 108.800 -0.144 0.000 2.563 342 G HA2 0.695 4.655 3.960 -0.000 0.000 0.302 342 G HA3 0.695 4.655 3.960 -0.000 0.000 0.302 342 G C -1.942 172.911 174.900 -0.079 0.000 1.301 342 G CA -0.560 44.491 45.100 -0.083 0.000 0.965 342 G HN 0.662 nan 8.290 nan 0.000 0.480 343 F N 0.471 120.564 119.950 0.238 0.000 2.436 343 F HA 0.487 5.014 4.527 -0.000 0.000 0.340 343 F C 0.500 176.406 175.800 0.178 0.000 1.113 343 F CA -0.746 57.392 58.000 0.231 0.000 1.022 343 F CB 2.221 41.382 39.000 0.269 0.000 1.128 343 F HN 0.045 nan 8.300 nan 0.000 0.466 344 I N 5.324 126.107 120.570 0.354 0.000 2.297 344 I HA 0.250 4.420 4.170 -0.000 0.000 0.291 344 I C -0.666 175.537 176.117 0.143 0.000 1.033 344 I CA -0.282 61.137 61.300 0.198 0.000 1.253 344 I CB 0.753 38.839 38.000 0.143 0.000 1.396 344 I HN 0.381 nan 8.210 nan 0.000 0.476 345 L N 6.607 127.875 121.223 0.074 0.000 2.309 345 L HA 0.682 5.022 4.340 -0.000 0.000 0.282 345 L C 0.972 177.802 176.870 -0.065 0.000 1.036 345 L CA -0.145 54.694 54.840 -0.000 0.000 0.806 345 L CB 1.497 43.565 42.059 0.014 0.000 1.220 345 L HN 0.911 nan 8.230 nan 0.000 0.429 346 A N 2.223 124.998 122.820 -0.075 0.000 5.295 346 A HA -0.367 3.953 4.320 -0.000 0.000 0.313 346 A C 1.704 179.278 177.584 -0.016 0.000 1.912 346 A CA 1.503 53.506 52.037 -0.057 0.000 0.714 346 A CB -1.593 17.371 19.000 -0.060 0.000 1.319 346 A HN 1.078 nan 8.150 nan 0.000 0.375 347 H N 1.050 120.112 119.070 -0.013 0.000 2.457 347 H HA -0.046 4.510 4.556 -0.000 0.000 0.297 347 H C 1.665 177.012 175.328 0.032 0.000 1.092 347 H CA 1.886 57.944 56.048 0.018 0.000 1.309 347 H CB -0.380 29.403 29.762 0.035 0.000 1.382 347 H HN 0.737 nan 8.280 nan 0.000 0.535 348 K N 0.694 120.745 120.400 -0.583 0.000 2.211 348 K HA 0.064 4.384 4.320 -0.000 0.000 0.203 348 K C 2.557 179.097 176.600 -0.101 0.000 1.050 348 K CA 0.869 56.947 56.287 -0.348 0.000 0.945 348 K CB 0.045 32.359 32.500 -0.311 0.000 0.732 348 K HN 0.340 nan 8.250 nan 0.000 0.451 349 A N 1.388 124.177 122.820 -0.052 0.000 1.930 349 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 349 A C 2.052 179.651 177.584 0.025 0.000 1.175 349 A CA 1.298 53.345 52.037 0.017 0.000 0.627 349 A CB -0.241 18.783 19.000 0.040 0.000 0.815 349 A HN 0.120 nan 8.150 nan 0.000 0.443 350 R N -0.365 120.150 120.500 0.025 0.000 2.073 350 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 350 R C 2.288 178.612 176.300 0.041 0.000 1.120 350 R CA 1.678 57.803 56.100 0.042 0.000 0.967 350 R CB -0.281 30.057 30.300 0.063 0.000 0.862 350 R HN 0.602 nan 8.270 nan 0.000 0.436 351 K N 0.442 120.866 120.400 0.040 0.000 2.057 351 K HA -0.077 4.243 4.320 -0.000 0.000 0.207 351 K C 1.360 177.978 176.600 0.029 0.000 1.049 351 K CA 1.294 57.609 56.287 0.045 0.000 0.931 351 K CB 0.049 32.584 32.500 0.058 0.000 0.714 351 K HN 0.139 nan 8.250 nan 0.000 0.440 352 L N -0.008 121.226 121.223 0.019 0.000 2.592 352 L HA 0.177 4.517 4.340 -0.000 0.000 0.227 352 L C 2.064 178.952 176.870 0.030 0.000 1.127 352 L CA 0.082 54.935 54.840 0.022 0.000 0.884 352 L CB 0.132 42.202 42.059 0.018 0.000 1.065 352 L HN 0.181 nan 8.230 nan 0.000 0.457 353 A N 0.608 123.446 122.820 0.031 0.000 2.019 353 A HA -0.174 4.146 4.320 -0.000 0.000 0.219 353 A C 2.375 179.974 177.584 0.025 0.000 1.164 353 A CA 1.218 53.274 52.037 0.032 0.000 0.644 353 A CB -0.325 18.692 19.000 0.029 0.000 0.805 353 A HN 0.335 nan 8.150 nan 0.000 0.449 354 R N -0.612 119.901 120.500 0.022 0.000 2.120 354 R HA 0.047 4.387 4.340 -0.000 0.000 0.234 354 R C 0.287 176.597 176.300 0.017 0.000 1.123 354 R CA 0.288 56.399 56.100 0.018 0.000 0.975 354 R CB -0.493 29.818 30.300 0.018 0.000 0.866 354 R HN 0.457 nan 8.270 nan 0.000 0.446 355 L N 0.979 122.214 121.223 0.020 0.000 2.479 355 L HA 0.012 4.352 4.340 -0.000 0.000 0.270 355 L C 1.047 177.931 176.870 0.023 0.000 1.236 355 L CA -0.104 54.747 54.840 0.018 0.000 0.823 355 L CB 0.123 42.191 42.059 0.015 0.000 1.098 355 L HN 0.218 nan 8.230 nan 0.000 0.500 356 T N -2.248 112.317 114.554 0.020 0.000 2.849 356 T HA 0.104 4.454 4.350 -0.000 0.000 0.284 356 T C 0.903 175.631 174.700 0.047 0.000 1.004 356 T CA -0.690 61.426 62.100 0.028 0.000 1.021 356 T CB 1.270 70.150 68.868 0.020 0.000 1.013 356 T HN 0.677 nan 8.240 nan 0.000 0.527 357 K N 0.314 120.758 120.400 0.073 0.000 2.074 357 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 357 K C 1.915 178.577 176.600 0.103 0.000 1.048 357 K CA 1.895 58.272 56.287 0.150 0.000 0.926 357 K CB -0.195 32.397 32.500 0.152 0.000 0.713 357 K HN 0.686 nan 8.250 nan 0.000 0.444 358 E N 0.695 120.918 120.200 0.039 0.000 2.106 358 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 358 E C 1.774 178.336 176.600 -0.063 0.000 0.984 358 E CA 1.357 57.744 56.400 -0.022 0.000 0.806 358 E CB 0.032 29.728 29.700 -0.007 0.000 0.750 358 E HN 0.407 nan 8.360 nan 0.000 0.458 359 E N 0.204 120.384 120.200 -0.034 0.000 2.072 359 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 359 E C 2.117 178.675 176.600 -0.071 0.000 0.985 359 E CA 0.691 57.065 56.400 -0.043 0.000 0.801 359 E CB -0.007 29.682 29.700 -0.018 0.000 0.750 359 E HN 0.113 nan 8.360 nan 0.000 0.452 360 R N 0.277 120.743 120.500 -0.057 0.000 2.075 360 R HA -0.126 4.214 4.340 -0.000 0.000 0.232 360 R C 2.457 178.610 176.300 -0.246 0.000 1.126 360 R CA 0.777 56.832 56.100 -0.074 0.000 0.963 360 R CB -0.346 29.984 30.300 0.051 0.000 0.858 360 R HN 0.122 nan 8.270 nan 0.000 0.435 361 L N 1.810 122.769 121.223 -0.441 0.000 2.013 361 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 361 L C 2.204 178.855 176.870 -0.365 0.000 1.073 361 L CA 1.923 56.344 54.840 -0.700 0.000 0.753 361 L CB -0.448 41.151 42.059 -0.767 0.000 0.890 361 L HN 0.008 nan 8.230 nan 0.000 0.432 362 K N -0.606 119.659 120.400 -0.226 0.000 2.057 362 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 362 K C 2.159 178.669 176.600 -0.149 0.000 1.049 362 K CA 1.652 57.851 56.287 -0.146 0.000 0.931 362 K CB -0.079 32.365 32.500 -0.093 0.000 0.714 362 K HN 0.337 nan 8.250 nan 0.000 0.440 363 K N 0.195 120.504 120.400 -0.152 0.000 2.057 363 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 363 K C 2.097 178.559 176.600 -0.229 0.000 1.049 363 K CA 1.185 57.387 56.287 -0.142 0.000 0.931 363 K CB -0.112 32.327 32.500 -0.101 0.000 0.714 363 K HN 0.051 nan 8.250 nan 0.000 0.440 364 L N 0.806 121.834 121.223 -0.325 0.000 2.056 364 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 364 L C 2.442 178.871 176.870 -0.736 0.000 1.078 364 L CA 1.501 55.975 54.840 -0.611 0.000 0.749 364 L CB -0.626 41.107 42.059 -0.543 0.000 0.901 364 L HN 0.236 nan 8.230 nan 0.000 0.433 365 C N -0.707 118.383 119.300 -0.350 0.000 2.429 365 C HA -0.150 4.310 4.460 -0.000 0.000 0.277 365 C C 2.645 177.603 174.990 -0.053 0.000 1.262 365 C CA 0.579 59.542 59.018 -0.091 0.000 1.733 365 C CB -0.749 26.994 27.740 0.005 0.000 2.010 365 C HN 0.547 nan 8.230 nan 0.000 0.483 366 E N 0.306 120.447 120.200 -0.097 0.000 2.110 366 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 366 E C 1.995 178.561 176.600 -0.056 0.000 0.988 366 E CA 0.955 57.324 56.400 -0.052 0.000 0.804 366 E CB -0.273 29.396 29.700 -0.051 0.000 0.745 366 E HN 0.513 nan 8.360 nan 0.000 0.458 367 L N 0.425 121.568 121.223 -0.133 0.000 1.994 367 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 367 L C 2.028 178.910 176.870 0.019 0.000 1.071 367 L CA 1.760 56.537 54.840 -0.106 0.000 0.745 367 L CB -0.631 41.324 42.059 -0.175 0.000 0.892 367 L HN 0.206 nan 8.230 nan 0.000 0.431 368 Y N -0.767 119.518 120.300 -0.025 0.000 2.274 368 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 368 Y C 2.515 178.425 175.900 0.018 0.000 1.145 368 Y CA 0.245 58.334 58.100 -0.018 0.000 1.203 368 Y CB -0.503 37.984 38.460 0.045 0.000 0.984 368 Y HN 0.396 nan 8.280 nan 0.000 0.533 369 A N 0.581 123.511 122.820 0.184 0.000 1.902 369 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 369 A C 2.146 179.779 177.584 0.083 0.000 1.181 369 A CA 1.598 53.708 52.037 0.121 0.000 0.623 369 A CB -0.442 18.598 19.000 0.068 0.000 0.818 369 A HN 0.340 nan 8.150 nan 0.000 0.443 370 K N -0.582 119.844 120.400 0.043 0.000 2.001 370 K HA -0.061 4.259 4.320 -0.000 0.000 0.208 370 K C 1.940 178.537 176.600 -0.005 0.000 1.048 370 K CA 1.531 57.831 56.287 0.021 0.000 0.932 370 K CB -0.311 32.179 32.500 -0.018 0.000 0.715 370 K HN 0.315 nan 8.250 nan 0.000 0.437 371 V N 1.622 121.474 119.914 -0.104 0.000 2.379 371 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 371 V C 2.046 178.090 176.094 -0.083 0.000 1.044 371 V CA 1.402 63.588 62.300 -0.189 0.000 1.036 371 V CB -0.290 31.367 31.823 -0.277 0.000 0.664 371 V HN 0.262 nan 8.190 nan 0.000 0.453 372 L N 0.557 121.770 121.223 -0.016 0.000 2.554 372 L HA 0.263 4.603 4.340 -0.000 0.000 0.226 372 L C 1.639 178.652 176.870 0.238 0.000 1.137 372 L CA 0.761 55.641 54.840 0.067 0.000 0.863 372 L CB -0.786 41.401 42.059 0.214 0.000 0.985 372 L HN 0.537 nan 8.230 nan 0.000 0.451 373 G N 0.756 109.652 108.800 0.159 0.000 2.323 373 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.292 373 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.292 373 G C -0.071 174.923 174.900 0.157 0.000 1.040 373 G CA 0.464 45.657 45.100 0.155 0.000 0.942 373 G HN 0.345 nan 8.290 nan 0.000 0.506 374 S N -0.899 114.885 115.700 0.140 0.000 2.677 374 S HA 0.455 4.925 4.470 -0.000 0.000 0.283 374 S C 1.089 175.663 174.600 -0.043 0.000 1.159 374 S CA -0.787 57.454 58.200 0.068 0.000 1.001 374 S CB 1.735 65.035 63.200 0.168 0.000 1.032 374 S HN 0.242 nan 8.310 nan 0.000 0.487 375 L N 1.910 123.084 121.223 -0.082 0.000 2.362 375 L HA -0.058 4.282 4.340 -0.000 0.000 0.219 375 L C 2.110 178.862 176.870 -0.197 0.000 1.134 375 L CA 1.079 55.862 54.840 -0.094 0.000 0.807 375 L CB -0.352 41.668 42.059 -0.065 0.000 0.927 375 L HN 0.718 nan 8.230 nan 0.000 0.447 376 E N 0.579 120.522 120.200 -0.429 0.000 2.204 376 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 376 E C 2.263 178.447 176.600 -0.693 0.000 0.990 376 E CA 0.942 56.911 56.400 -0.718 0.000 0.821 376 E CB -0.094 28.820 29.700 -1.311 0.000 0.750 376 E HN 0.514 nan 8.360 nan 0.000 0.477 377 A N 1.003 123.520 122.820 -0.506 0.000 2.125 377 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 377 A C 1.960 179.715 177.584 0.285 0.000 1.156 377 A CA 0.757 52.814 52.037 0.033 0.000 0.671 377 A CB -0.369 18.795 19.000 0.273 0.000 0.794 377 A HN 0.160 nan 8.150 nan 0.000 0.459 378 L N -0.374 120.915 121.223 0.111 0.000 2.599 378 L HA 0.075 4.415 4.340 -0.000 0.000 0.230 378 L C 0.197 177.144 176.870 0.129 0.000 1.141 378 L CA 0.150 55.054 54.840 0.108 0.000 0.877 378 L CB -0.018 42.062 42.059 0.035 0.000 1.009 378 L HN 0.215 nan 8.230 nan 0.000 0.447 379 E N 1.046 121.374 120.200 0.212 0.000 3.659 379 E HA 0.265 4.615 4.350 -0.000 0.000 0.217 379 E C -2.292 174.476 176.600 0.279 0.000 1.141 379 E CA -1.643 54.869 56.400 0.187 0.000 1.340 379 E CB 0.370 30.139 29.700 0.116 0.000 1.295 379 E HN 0.137 nan 8.360 nan 0.000 0.434 380 P HA 0.011 nan 4.420 nan 0.000 0.271 380 P C 1.090 178.417 177.300 0.044 0.000 1.218 380 P CA -0.088 62.967 63.100 -0.075 0.000 0.780 380 P CB 1.476 33.093 31.700 -0.137 0.000 0.901 381 V N -1.752 118.206 119.914 0.074 0.000 3.565 381 V HA 0.312 4.432 4.120 -0.000 0.000 0.260 381 V C 0.478 176.700 176.094 0.214 0.000 1.231 381 V CA 0.765 63.147 62.300 0.138 0.000 1.100 381 V CB -1.169 30.740 31.823 0.144 0.000 0.807 381 V HN 0.671 nan 8.190 nan 0.000 0.454 382 H N -1.164 117.973 119.070 0.113 0.000 2.987 382 H HA 0.625 5.181 4.556 -0.000 0.000 0.316 382 H C -2.311 173.226 175.328 0.348 0.000 1.380 382 H CA -0.725 55.407 56.048 0.140 0.000 1.160 382 H CB 1.939 31.677 29.762 -0.039 0.000 1.865 382 H HN 0.140 nan 8.280 nan 0.000 0.521 383 Y N 1.506 121.534 120.300 -0.453 0.000 2.441 383 Y HA 0.494 5.043 4.550 -0.000 0.000 0.334 383 Y C -1.715 174.061 175.900 -0.205 0.000 1.061 383 Y CA -0.673 57.347 58.100 -0.135 0.000 1.032 383 Y CB 1.709 40.100 38.460 -0.114 0.000 1.266 383 Y HN 0.620 nan 8.280 nan 0.000 0.441 384 E N 4.465 124.421 120.200 -0.405 0.000 2.317 384 E HA 0.428 4.778 4.350 -0.000 0.000 0.270 384 E C -1.432 174.807 176.600 -0.601 0.000 0.885 384 E CA -0.781 55.388 56.400 -0.386 0.000 0.760 384 E CB 2.737 32.444 29.700 0.012 0.000 1.227 384 E HN 0.774 nan 8.360 nan 0.000 0.434 385 E N 0.395 120.340 120.200 -0.425 0.000 2.412 385 E HA 0.700 5.050 4.350 -0.000 0.000 0.279 385 E C -1.173 175.380 176.600 -0.078 0.000 0.984 385 E CA -1.115 55.138 56.400 -0.245 0.000 0.788 385 E CB 2.251 31.778 29.700 -0.289 0.000 1.277 385 E HN 0.072 nan 8.360 nan 0.000 0.455 386 K N 1.329 121.735 120.400 0.010 0.000 2.581 386 K HA 0.326 4.646 4.320 -0.000 0.000 0.249 386 K C -1.841 174.725 176.600 -0.056 0.000 0.966 386 K CA -0.622 55.609 56.287 -0.093 0.000 0.811 386 K CB 1.576 33.984 32.500 -0.153 0.000 1.223 386 K HN 0.542 nan 8.250 nan 0.000 0.438 387 N N 4.220 122.846 118.700 -0.123 0.000 2.500 387 N HA 0.130 4.870 4.740 -0.000 0.000 0.236 387 N C -0.183 175.265 175.510 -0.103 0.000 1.022 387 N CA -0.337 52.703 53.050 -0.017 0.000 0.935 387 N CB 0.233 38.719 38.487 -0.001 0.000 1.147 387 N HN 0.674 nan 8.380 nan 0.000 0.512 388 W N 2.148 123.487 121.300 0.065 0.000 2.699 388 W HA 0.018 4.678 4.660 -0.000 0.000 0.249 388 W C 1.936 178.471 176.519 0.026 0.000 1.280 388 W CA -0.049 57.328 57.345 0.054 0.000 1.345 388 W CB -0.168 29.338 29.460 0.077 0.000 1.128 388 W HN 0.584 nan 8.180 nan 0.000 0.642 389 C N 0.363 119.764 119.300 0.169 0.000 2.437 389 C HA -0.141 4.319 4.460 -0.000 0.000 0.283 389 C C 2.314 177.329 174.990 0.042 0.000 1.424 389 C CA 1.321 60.398 59.018 0.098 0.000 1.782 389 C CB -1.493 26.288 27.740 0.068 0.000 1.833 389 C HN 0.495 nan 8.230 nan 0.000 0.532 390 E N 0.783 120.984 120.200 0.003 0.000 2.489 390 E HA 0.007 4.357 4.350 -0.000 0.000 0.193 390 E C -0.117 176.449 176.600 -0.056 0.000 1.057 390 E CA 0.323 56.701 56.400 -0.038 0.000 0.866 390 E CB -0.154 29.509 29.700 -0.062 0.000 0.916 390 E HN 0.488 nan 8.360 nan 0.000 0.500 391 E N 2.215 122.400 120.200 -0.025 0.000 2.129 391 E HA -0.016 4.334 4.350 -0.000 0.000 0.283 391 E C 0.488 177.065 176.600 -0.039 0.000 1.080 391 E CA -0.006 56.381 56.400 -0.020 0.000 0.867 391 E CB 1.513 31.258 29.700 0.074 0.000 1.056 391 E HN 0.360 nan 8.360 nan 0.000 0.404 392 Q N 3.015 122.724 119.800 -0.151 0.000 2.135 392 Q HA -0.198 4.141 4.340 -0.000 0.000 0.204 392 Q C 0.365 176.124 176.000 -0.401 0.000 0.981 392 Q CA 1.655 57.251 55.803 -0.346 0.000 0.856 392 Q CB 0.079 28.465 28.738 -0.587 0.000 0.902 392 Q HN 0.604 nan 8.270 nan 0.000 0.425 393 Y N -0.908 119.417 120.300 0.042 0.000 2.571 393 Y HA 0.247 4.797 4.550 -0.000 0.000 0.275 393 Y C 1.467 177.424 175.900 0.095 0.000 1.179 393 Y CA -0.320 57.814 58.100 0.057 0.000 1.242 393 Y CB 0.884 39.370 38.460 0.043 0.000 1.126 393 Y HN 0.084 nan 8.280 nan 0.000 0.524 394 S N -1.610 114.214 115.700 0.207 0.000 2.931 394 S HA 0.287 4.757 4.470 -0.000 0.000 0.251 394 S C 1.817 176.498 174.600 0.135 0.000 1.078 394 S CA 0.554 58.882 58.200 0.214 0.000 0.835 394 S CB 0.607 64.016 63.200 0.350 0.000 0.798 394 S HN 0.525 nan 8.310 nan 0.000 0.495 395 G N 1.018 109.879 108.800 0.102 0.000 2.195 395 G HA2 0.104 4.064 3.960 -0.000 0.000 0.246 395 G HA3 0.104 4.064 3.960 -0.000 0.000 0.246 395 G C 0.494 175.437 174.900 0.072 0.000 0.984 395 G CA 0.071 45.201 45.100 0.050 0.000 0.633 395 G HN 1.383 nan 8.290 nan 0.000 0.525 396 G N -2.334 106.551 108.800 0.141 0.000 2.350 396 G HA2 0.512 4.472 3.960 -0.000 0.000 0.282 396 G HA3 0.512 4.472 3.960 -0.000 0.000 0.282 396 G C -0.945 174.040 174.900 0.142 0.000 1.314 396 G CA 0.307 45.498 45.100 0.153 0.000 0.915 396 G HN 1.490 nan 8.290 nan 0.000 0.499 397 C N -1.686 117.645 119.300 0.051 0.000 3.311 397 C HA 0.595 5.055 4.460 -0.000 0.000 0.325 397 C C 0.805 175.641 174.990 -0.256 0.000 1.352 397 C CA -0.633 58.335 59.018 -0.082 0.000 1.308 397 C CB 0.765 28.351 27.740 -0.257 0.000 1.619 397 C HN 0.729 nan 8.230 nan 0.000 0.469 398 Y N 0.613 120.839 120.300 -0.123 0.000 2.314 398 Y HA 0.213 4.763 4.550 -0.000 0.000 0.293 398 Y C 1.585 177.447 175.900 -0.063 0.000 1.129 398 Y CA 1.220 59.219 58.100 -0.167 0.000 1.201 398 Y CB -0.392 37.947 38.460 -0.201 0.000 0.999 398 Y HN 0.684 nan 8.280 nan 0.000 0.541 399 T N -1.950 112.688 114.554 0.140 0.000 2.665 399 T HA 0.334 4.684 4.350 -0.000 0.000 0.303 399 T C -0.789 174.015 174.700 0.173 0.000 1.334 399 T CA -0.712 61.510 62.100 0.202 0.000 1.011 399 T CB 1.056 70.135 68.868 0.352 0.000 1.573 399 T HN -0.156 nan 8.240 nan 0.000 0.492 400 T N 2.628 117.295 114.554 0.189 0.000 2.851 400 T HA 0.483 4.833 4.350 -0.000 0.000 0.298 400 T C -0.825 173.886 174.700 0.018 0.000 0.977 400 T CA 0.101 62.214 62.100 0.021 0.000 1.126 400 T CB -0.369 68.507 68.868 0.013 0.000 0.916 400 T HN 0.467 nan 8.240 nan 0.000 0.529 401 Y N 0.805 120.876 120.300 -0.382 0.000 2.549 401 Y HA 0.798 5.348 4.550 -0.000 0.000 0.339 401 Y C -1.302 174.024 175.900 -0.956 0.000 1.053 401 Y CA -2.233 55.276 58.100 -0.986 0.000 1.105 401 Y CB 0.834 38.842 38.460 -0.752 0.000 1.258 401 Y HN 0.396 nan 8.280 nan 0.000 0.478 402 F N 3.074 122.266 119.950 -1.263 0.000 2.402 402 F HA 0.574 5.101 4.527 -0.000 0.000 0.355 402 F C -2.311 173.396 175.800 -0.156 0.000 1.123 402 F CA -2.742 54.897 58.000 -0.602 0.000 1.021 402 F CB 1.514 40.230 39.000 -0.474 0.000 1.160 402 F HN 0.348 nan 8.300 nan 0.000 0.451 403 P HA 0.107 nan 4.420 nan 0.000 0.273 403 P C -2.544 174.863 177.300 0.180 0.000 1.250 403 P CA -1.127 62.062 63.100 0.150 0.000 0.793 403 P CB -0.149 31.585 31.700 0.057 0.000 1.011 404 P HA -0.031 nan 4.420 nan 0.000 0.265 404 P C 0.865 178.261 177.300 0.161 0.000 1.193 404 P CA 1.219 64.427 63.100 0.180 0.000 0.765 404 P CB -0.048 31.739 31.700 0.145 0.000 0.823 405 G N 2.891 111.800 108.800 0.181 0.000 2.217 405 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.246 405 G C 0.776 175.798 174.900 0.202 0.000 0.990 405 G CA 0.056 45.253 45.100 0.162 0.000 0.627 405 G HN 0.433 nan 8.290 nan 0.000 0.522 406 I N 0.089 120.813 120.570 0.257 0.000 2.494 406 I HA 0.180 4.350 4.170 -0.000 0.000 0.250 406 I C 2.601 178.971 176.117 0.422 0.000 1.112 406 I CA 1.196 62.707 61.300 0.351 0.000 1.438 406 I CB -1.131 37.008 38.000 0.231 0.000 1.111 406 I HN 0.266 nan 8.210 nan 0.000 0.431 407 L N 1.189 122.635 121.223 0.373 0.000 2.046 407 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 407 L C 2.603 179.547 176.870 0.123 0.000 1.077 407 L CA 2.454 57.374 54.840 0.134 0.000 0.747 407 L CB -0.930 41.105 42.059 -0.040 0.000 0.896 407 L HN 0.415 nan 8.230 nan 0.000 0.432 408 T N -4.359 110.279 114.554 0.140 0.000 2.904 408 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 408 T C 1.800 176.468 174.700 -0.054 0.000 1.059 408 T CA 0.820 62.976 62.100 0.092 0.000 1.137 408 T CB -0.304 68.622 68.868 0.097 0.000 0.879 408 T HN 0.340 nan 8.240 nan 0.000 0.467 409 Q N -0.110 119.657 119.800 -0.055 0.000 2.212 409 Q HA 0.112 4.452 4.340 -0.000 0.000 0.199 409 Q C 0.992 176.670 176.000 -0.536 0.000 0.950 409 Q CA 1.159 56.781 55.803 -0.301 0.000 0.863 409 Q CB 0.019 28.568 28.738 -0.315 0.000 0.944 409 Q HN 0.771 nan 8.270 nan 0.000 0.465 410 Y N -1.878 118.360 120.300 -0.103 0.000 2.499 410 Y HA 0.262 4.812 4.550 -0.000 0.000 0.253 410 Y C 1.983 177.770 175.900 -0.189 0.000 1.105 410 Y CA 0.075 58.098 58.100 -0.128 0.000 1.240 410 Y CB 0.301 38.729 38.460 -0.053 0.000 1.289 410 Y HN 0.078 nan 8.280 nan 0.000 0.534 411 G N 0.679 109.400 108.800 -0.131 0.000 2.442 411 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 411 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 411 G C 1.659 176.110 174.900 -0.748 0.000 1.141 411 G CA 0.748 45.677 45.100 -0.285 0.000 0.763 411 G HN 0.274 nan 8.290 nan 0.000 0.554 412 R N -0.214 119.558 120.500 -1.215 0.000 2.159 412 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 412 R C 2.523 178.575 176.300 -0.414 0.000 1.131 412 R CA 1.441 56.890 56.100 -1.085 0.000 0.982 412 R CB -0.254 29.534 30.300 -0.854 0.000 0.868 412 R HN 0.493 nan 8.270 nan 0.000 0.453 413 V N -2.016 117.726 119.914 -0.286 0.000 3.649 413 V HA 0.046 4.166 4.120 -0.000 0.000 0.275 413 V C 1.704 177.699 176.094 -0.166 0.000 1.281 413 V CA 0.336 62.531 62.300 -0.174 0.000 1.143 413 V CB -0.077 31.656 31.823 -0.150 0.000 0.892 413 V HN 0.066 nan 8.190 nan 0.000 0.441 414 L N 2.479 123.641 121.223 -0.101 0.000 2.013 414 L HA -0.106 4.234 4.340 -0.000 0.000 0.212 414 L C 2.510 179.335 176.870 -0.074 0.000 1.073 414 L CA 2.639 57.446 54.840 -0.056 0.000 0.753 414 L CB -0.397 41.730 42.059 0.112 0.000 0.890 414 L HN 0.675 nan 8.230 nan 0.000 0.432 415 R N -1.068 119.476 120.500 0.074 0.000 2.613 415 R HA 0.201 4.541 4.340 -0.000 0.000 0.361 415 R C 0.391 176.838 176.300 0.246 0.000 1.072 415 R CA -0.278 55.951 56.100 0.214 0.000 1.089 415 R CB -0.354 30.140 30.300 0.324 0.000 1.343 415 R HN 0.311 nan 8.270 nan 0.000 0.571 416 Q N 2.609 122.473 119.800 0.107 0.000 2.286 416 Q HA 0.218 4.558 4.340 -0.000 0.000 0.267 416 Q C -2.117 173.997 176.000 0.189 0.000 1.028 416 Q CA -2.070 53.799 55.803 0.111 0.000 0.901 416 Q CB 0.892 29.637 28.738 0.012 0.000 1.183 416 Q HN 0.041 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.290 176.008 177.300 -0.003 0.000 1.200 417 P CA -0.058 62.987 63.100 -0.092 0.000 0.772 417 P CB 0.654 32.036 31.700 -0.530 0.000 0.855 418 V N 3.314 123.235 119.914 0.011 0.000 2.284 418 V HA 0.152 4.272 4.120 -0.000 0.000 0.274 418 V C 0.669 176.728 176.094 -0.058 0.000 1.023 418 V CA 0.094 62.401 62.300 0.012 0.000 0.808 418 V CB 0.115 31.987 31.823 0.081 0.000 1.035 418 V HN 0.783 nan 8.190 nan 0.000 0.445 419 D N 4.091 124.460 120.400 -0.052 0.000 4.372 419 D HA -0.306 4.334 4.640 -0.000 0.000 0.169 419 D C 1.324 177.611 176.300 -0.022 0.000 0.680 419 D CA 2.405 56.393 54.000 -0.020 0.000 1.152 419 D CB -0.249 40.552 40.800 0.002 0.000 0.585 419 D HN 0.575 nan 8.370 nan 0.000 0.493 420 R N -0.107 120.408 120.500 0.024 0.000 2.468 420 R HA 0.454 4.794 4.340 -0.000 0.000 0.280 420 R C -0.238 176.167 176.300 0.174 0.000 0.963 420 R CA -0.161 56.055 56.100 0.193 0.000 1.083 420 R CB 0.455 30.813 30.300 0.097 0.000 1.200 420 R HN 0.286 nan 8.270 nan 0.000 0.541 421 I N 1.166 121.679 120.570 -0.095 0.000 2.336 421 I HA 0.240 4.410 4.170 -0.000 0.000 0.292 421 I C -0.592 175.172 176.117 -0.588 0.000 0.991 421 I CA -0.705 60.461 61.300 -0.223 0.000 1.227 421 I CB 0.746 38.594 38.000 -0.253 0.000 1.366 421 I HN -0.075 nan 8.210 nan 0.000 0.466 422 Y N 5.233 125.296 120.300 -0.396 0.000 2.528 422 Y HA 0.541 5.091 4.550 -0.000 0.000 0.335 422 Y C -0.538 175.016 175.900 -0.576 0.000 1.093 422 Y CA -0.672 57.225 58.100 -0.338 0.000 1.134 422 Y CB 1.599 39.980 38.460 -0.132 0.000 1.253 422 Y HN 0.283 nan 8.280 nan 0.000 0.478 423 F N 1.246 121.306 119.950 0.183 0.000 2.427 423 F HA 0.707 5.234 4.527 -0.000 0.000 0.348 423 F C 0.394 176.275 175.800 0.134 0.000 1.125 423 F CA -0.554 57.528 58.000 0.136 0.000 0.989 423 F CB 1.139 40.203 39.000 0.107 0.000 1.165 423 F HN 0.599 nan 8.300 nan 0.000 0.442 424 A N 2.291 125.256 122.820 0.242 0.000 3.687 424 A HA 0.956 5.276 4.320 -0.000 0.000 0.164 424 A C 0.374 178.090 177.584 0.220 0.000 1.564 424 A CA -0.413 51.736 52.037 0.186 0.000 0.896 424 A CB -0.053 19.012 19.000 0.108 0.000 1.731 424 A HN 1.496 nan 8.150 nan 0.000 0.607 425 G N -2.479 106.428 108.800 0.178 0.000 2.777 425 G HA2 0.083 4.043 3.960 -0.000 0.000 0.686 425 G HA3 0.083 4.043 3.960 -0.000 0.000 0.686 425 G C 0.426 175.457 174.900 0.219 0.000 1.177 425 G CA 0.627 45.841 45.100 0.189 0.000 0.775 425 G HN 1.560 nan 8.290 nan 0.000 0.613 426 T N 0.182 114.866 114.554 0.218 0.000 2.881 426 T HA -0.083 4.267 4.350 -0.000 0.000 0.270 426 T C 2.103 177.007 174.700 0.339 0.000 1.068 426 T CA 2.586 64.841 62.100 0.259 0.000 1.131 426 T CB -0.179 68.837 68.868 0.245 0.000 0.871 426 T HN 0.620 nan 8.240 nan 0.000 0.479 427 E N 0.581 120.987 120.200 0.343 0.000 2.267 427 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 427 E C 2.208 179.068 176.600 0.432 0.000 0.998 427 E CA 1.574 58.229 56.400 0.425 0.000 0.830 427 E CB -0.208 29.702 29.700 0.351 0.000 0.751 427 E HN 0.718 nan 8.360 nan 0.000 0.491 428 T N -2.667 112.105 114.554 0.364 0.000 3.086 428 T HA 0.454 4.804 4.350 -0.000 0.000 0.250 428 T C 0.806 175.750 174.700 0.406 0.000 1.074 428 T CA 0.017 62.335 62.100 0.364 0.000 0.988 428 T CB 0.206 69.267 68.868 0.322 0.000 0.988 428 T HN 0.101 nan 8.240 nan 0.000 0.530 429 A N 1.792 124.853 122.820 0.402 0.000 2.346 429 A HA 0.534 4.854 4.320 -0.000 0.000 0.252 429 A C 1.510 179.367 177.584 0.456 0.000 1.089 429 A CA 0.128 52.406 52.037 0.401 0.000 0.797 429 A CB 0.309 19.505 19.000 0.327 0.000 1.047 429 A HN 0.505 nan 8.150 nan 0.000 0.494 430 T N -2.477 112.324 114.554 0.412 0.000 3.044 430 T HA 0.243 4.593 4.350 -0.000 0.000 0.260 430 T C 0.231 175.038 174.700 0.179 0.000 1.019 430 T CA 0.685 62.980 62.100 0.325 0.000 0.921 430 T CB -0.412 68.587 68.868 0.218 0.000 1.053 430 T HN 0.761 nan 8.240 nan 0.000 0.533 431 H N -1.117 117.981 119.070 0.047 0.000 2.934 431 H HA 0.279 4.835 4.556 -0.000 0.000 0.340 431 H C -1.030 174.313 175.328 0.025 0.000 1.008 431 H CA -1.181 54.810 56.048 -0.095 0.000 1.317 431 H CB 0.916 30.684 29.762 0.010 0.000 1.670 431 H HN 0.294 nan 8.280 nan 0.000 0.516 432 W N 2.238 123.325 121.300 -0.356 0.000 5.538 432 W HA -0.250 4.410 4.660 0.000 0.000 0.377 432 W C 0.445 176.916 176.519 -0.079 0.000 1.406 432 W CA 0.941 58.025 57.345 -0.436 0.000 0.940 432 W CB -1.661 27.449 29.460 -0.585 0.000 2.536 432 W HN 0.396 nan 8.180 nan 0.000 1.504 433 S N 0.517 116.270 115.700 0.089 0.000 2.552 433 S HA 0.390 4.860 4.470 -0.000 0.000 0.289 433 S C 1.401 176.238 174.600 0.395 0.000 1.304 433 S CA 1.680 60.051 58.200 0.285 0.000 1.063 433 S CB 0.835 64.277 63.200 0.405 0.000 0.848 433 S HN 1.411 nan 8.310 nan 0.000 0.499 434 G N 3.005 112.099 108.800 0.490 0.000 2.232 434 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.226 434 G C -0.204 174.815 174.900 0.199 0.000 0.996 434 G CA 0.245 45.634 45.100 0.481 0.000 0.626 434 G HN 0.685 nan 8.290 nan 0.000 0.509 435 Y N -0.503 119.914 120.300 0.196 0.000 2.650 435 Y HA 0.718 5.268 4.550 -0.000 0.000 0.331 435 Y C 1.964 177.903 175.900 0.066 0.000 1.082 435 Y CA -0.765 57.395 58.100 0.101 0.000 1.171 435 Y CB 0.835 39.340 38.460 0.074 0.000 1.326 435 Y HN -0.029 nan 8.280 nan 0.000 0.513 436 M N -0.159 119.548 119.600 0.178 0.000 2.149 436 M HA -0.192 4.288 4.480 -0.000 0.000 0.261 436 M C 1.839 178.198 176.300 0.099 0.000 1.064 436 M CA 1.943 57.311 55.300 0.114 0.000 1.102 436 M CB -0.249 32.411 32.600 0.100 0.000 1.369 436 M HN 0.783 nan 8.290 nan 0.000 0.408 437 E N 0.808 121.041 120.200 0.055 0.000 2.049 437 E HA -0.163 4.187 4.350 -0.000 0.000 0.198 437 E C 1.955 178.613 176.600 0.097 0.000 1.007 437 E CA 2.135 58.531 56.400 -0.008 0.000 0.809 437 E CB -0.705 28.850 29.700 -0.242 0.000 0.749 437 E HN 0.432 nan 8.360 nan 0.000 0.450 438 G N -0.015 108.898 108.800 0.188 0.000 2.432 438 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 438 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 438 G C 1.705 176.721 174.900 0.192 0.000 1.135 438 G CA 1.110 46.345 45.100 0.224 0.000 0.767 438 G HN 0.480 nan 8.290 nan 0.000 0.550 439 A N 0.271 123.191 122.820 0.167 0.000 1.877 439 A HA 0.037 4.357 4.320 -0.000 0.000 0.216 439 A C 2.617 180.261 177.584 0.099 0.000 1.186 439 A CA 1.939 54.056 52.037 0.133 0.000 0.620 439 A CB -0.656 18.410 19.000 0.111 0.000 0.822 439 A HN 0.265 nan 8.150 nan 0.000 0.443 440 V N 0.116 120.079 119.914 0.082 0.000 2.295 440 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 440 V C 2.544 178.673 176.094 0.060 0.000 1.049 440 V CA 2.249 64.582 62.300 0.056 0.000 1.024 440 V CB -0.834 31.014 31.823 0.042 0.000 0.648 440 V HN 0.746 nan 8.190 nan 0.000 0.447 441 E N 0.464 120.719 120.200 0.091 0.000 2.049 441 E HA -0.290 4.060 4.350 -0.000 0.000 0.198 441 E C 2.217 178.853 176.600 0.059 0.000 1.007 441 E CA 1.835 58.296 56.400 0.103 0.000 0.809 441 E CB -0.197 29.612 29.700 0.183 0.000 0.749 441 E HN 0.551 nan 8.360 nan 0.000 0.450 442 A N 0.567 123.446 122.820 0.099 0.000 1.930 442 A HA -0.034 4.286 4.320 -0.000 0.000 0.217 442 A C 2.399 180.001 177.584 0.030 0.000 1.175 442 A CA 1.597 53.683 52.037 0.081 0.000 0.627 442 A CB -0.933 18.165 19.000 0.164 0.000 0.815 442 A HN 0.448 nan 8.150 nan 0.000 0.443 443 G N -0.341 108.482 108.800 0.038 0.000 2.402 443 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.216 443 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.216 443 G C 1.434 176.316 174.900 -0.030 0.000 1.162 443 G CA 0.954 46.063 45.100 0.015 0.000 0.777 443 G HN 0.642 nan 8.290 nan 0.000 0.539 444 E N -0.207 119.971 120.200 -0.037 0.000 2.072 444 E HA -0.063 4.287 4.350 -0.000 0.000 0.191 444 E C 2.575 179.093 176.600 -0.136 0.000 0.985 444 E CA 0.247 56.607 56.400 -0.066 0.000 0.801 444 E CB -0.114 29.562 29.700 -0.040 0.000 0.750 444 E HN 0.185 nan 8.360 nan 0.000 0.452 445 R N 1.230 121.610 120.500 -0.200 0.000 2.073 445 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 445 R C 2.117 178.235 176.300 -0.303 0.000 1.134 445 R CA 1.542 57.404 56.100 -0.396 0.000 0.952 445 R CB -0.357 29.512 30.300 -0.718 0.000 0.850 445 R HN 0.160 nan 8.270 nan 0.000 0.433 446 A N 0.745 123.463 122.820 -0.170 0.000 1.902 446 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 446 A C 2.420 179.895 177.584 -0.181 0.000 1.181 446 A CA 1.777 53.755 52.037 -0.099 0.000 0.623 446 A CB -0.702 18.301 19.000 0.006 0.000 0.818 446 A HN 0.507 nan 8.150 nan 0.000 0.443 447 A N -0.059 122.670 122.820 -0.153 0.000 1.883 447 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 447 A C 2.249 179.705 177.584 -0.213 0.000 1.186 447 A CA 1.623 53.560 52.037 -0.166 0.000 0.624 447 A CB -0.490 18.448 19.000 -0.103 0.000 0.822 447 A HN 0.550 nan 8.150 nan 0.000 0.444 448 R N -0.467 119.916 120.500 -0.196 0.000 2.148 448 R HA -0.088 4.252 4.340 -0.000 0.000 0.227 448 R C 2.033 178.211 176.300 -0.202 0.000 1.103 448 R CA 1.251 57.243 56.100 -0.180 0.000 0.983 448 R CB -0.276 29.927 30.300 -0.161 0.000 0.874 448 R HN 0.688 nan 8.270 nan 0.000 0.451 449 E N 0.684 120.724 120.200 -0.266 0.000 2.085 449 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 449 E C 1.955 178.244 176.600 -0.518 0.000 0.994 449 E CA 1.174 57.408 56.400 -0.278 0.000 0.801 449 E CB -0.104 29.471 29.700 -0.209 0.000 0.743 449 E HN 0.336 nan 8.360 nan 0.000 0.453 450 I N 0.888 121.013 120.570 -0.742 0.000 2.252 450 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 450 I C 2.310 178.098 176.117 -0.548 0.000 1.102 450 I CA 0.825 61.580 61.300 -0.908 0.000 1.385 450 I CB -0.139 37.372 38.000 -0.815 0.000 1.064 450 I HN 0.105 nan 8.210 nan 0.000 0.414 451 L N -0.064 120.968 121.223 -0.319 0.000 2.042 451 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 451 L C 2.727 179.521 176.870 -0.126 0.000 1.076 451 L CA 1.659 56.391 54.840 -0.181 0.000 0.749 451 L CB -0.925 41.067 42.059 -0.112 0.000 0.893 451 L HN 0.368 nan 8.230 nan 0.000 0.432 452 H N 0.144 119.101 119.070 -0.188 0.000 2.326 452 H HA -0.116 4.440 4.556 -0.000 0.000 0.301 452 H C 2.131 177.396 175.328 -0.105 0.000 1.081 452 H CA 1.512 57.491 56.048 -0.114 0.000 1.334 452 H CB 0.015 29.729 29.762 -0.079 0.000 1.385 452 H HN 0.252 nan 8.280 nan 0.000 0.504 453 A N 0.483 123.124 122.820 -0.299 0.000 1.978 453 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 453 A C 2.281 179.761 177.584 -0.174 0.000 1.170 453 A CA 1.843 53.721 52.037 -0.265 0.000 0.636 453 A CB -0.668 18.164 19.000 -0.280 0.000 0.810 453 A HN 0.576 nan 8.150 nan 0.000 0.448 454 M N -1.279 118.207 119.600 -0.191 0.000 2.618 454 M HA 0.156 4.636 4.480 -0.000 0.000 0.240 454 M C 1.305 177.563 176.300 -0.071 0.000 1.123 454 M CA 0.724 55.988 55.300 -0.060 0.000 1.060 454 M CB 0.139 32.712 32.600 -0.045 0.000 1.535 454 M HN 0.609 nan 8.290 nan 0.000 0.507 455 G N 1.162 109.879 108.800 -0.138 0.000 2.160 455 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.251 455 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.251 455 G C 0.853 175.725 174.900 -0.048 0.000 1.008 455 G CA 0.521 45.557 45.100 -0.106 0.000 0.724 455 G HN 0.482 nan 8.290 nan 0.000 0.514 456 K N -0.558 119.815 120.400 -0.045 0.000 2.314 456 K HA 0.307 4.627 4.320 -0.000 0.000 0.198 456 K C 1.380 177.979 176.600 -0.001 0.000 1.045 456 K CA 1.258 57.531 56.287 -0.023 0.000 0.988 456 K CB 0.309 32.788 32.500 -0.035 0.000 0.783 456 K HN 0.817 nan 8.250 nan 0.000 0.484 457 I N -1.770 118.816 120.570 0.026 0.000 2.865 457 I HA 0.461 4.631 4.170 -0.000 0.000 0.302 457 I C -3.008 173.194 176.117 0.142 0.000 1.140 457 I CA -2.944 58.389 61.300 0.055 0.000 1.021 457 I CB 2.416 40.434 38.000 0.030 0.000 1.233 457 I HN -0.255 nan 8.210 nan 0.000 0.427 458 P HA 0.136 nan 4.420 nan 0.000 0.276 458 P C 0.216 177.546 177.300 0.051 0.000 1.252 458 P CA -0.034 63.149 63.100 0.138 0.000 0.802 458 P CB 1.160 32.901 31.700 0.069 0.000 1.035 459 E N 0.754 120.902 120.200 -0.087 0.000 2.130 459 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 459 E C 1.113 177.635 176.600 -0.130 0.000 0.998 459 E CA 1.589 57.757 56.400 -0.386 0.000 0.806 459 E CB -0.149 29.381 29.700 -0.282 0.000 0.738 459 E HN 0.495 nan 8.360 nan 0.000 0.459 460 D N -0.107 120.275 120.400 -0.031 0.000 2.378 460 D HA -0.153 4.487 4.640 -0.000 0.000 0.227 460 D C 0.854 177.179 176.300 0.042 0.000 1.012 460 D CA 0.654 54.667 54.000 0.022 0.000 0.905 460 D CB -0.174 40.640 40.800 0.024 0.000 0.895 460 D HN 0.327 nan 8.370 nan 0.000 0.532 461 E N -0.361 119.848 120.200 0.016 0.000 2.481 461 E HA 0.183 4.533 4.350 -0.000 0.000 0.198 461 E C 1.886 178.484 176.600 -0.004 0.000 1.027 461 E CA -0.296 56.115 56.400 0.019 0.000 0.900 461 E CB 0.380 30.088 29.700 0.012 0.000 0.993 461 E HN 0.313 nan 8.360 nan 0.000 0.482 462 I N -0.007 120.551 120.570 -0.020 0.000 2.179 462 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 462 I C 0.466 176.453 176.117 -0.215 0.000 1.088 462 I CA 1.153 62.376 61.300 -0.128 0.000 1.357 462 I CB 0.075 37.998 38.000 -0.129 0.000 1.051 462 I HN 0.098 nan 8.210 nan 0.000 0.409 463 W N 1.553 122.852 121.300 -0.003 0.000 2.349 463 W HA 0.494 5.154 4.660 -0.000 0.000 0.309 463 W C 0.074 176.600 176.519 0.013 0.000 1.083 463 W CA -0.260 57.095 57.345 0.017 0.000 1.224 463 W CB 0.621 30.094 29.460 0.021 0.000 1.256 463 W HN -0.041 nan 8.180 nan 0.000 0.461 464 Q N 2.701 122.617 119.800 0.193 0.000 2.340 464 Q HA 0.441 4.781 4.340 -0.000 0.000 0.268 464 Q C 0.199 176.276 176.000 0.129 0.000 1.031 464 Q CA -0.543 55.333 55.803 0.122 0.000 0.804 464 Q CB 1.602 30.375 28.738 0.059 0.000 1.286 464 Q HN 0.534 nan 8.270 nan 0.000 0.448 465 S N 2.443 118.205 115.700 0.102 0.000 2.589 465 S HA 0.262 4.732 4.470 -0.000 0.000 0.265 465 S C -0.188 174.458 174.600 0.077 0.000 1.342 465 S CA -0.538 57.715 58.200 0.089 0.000 1.005 465 S CB 1.255 64.491 63.200 0.060 0.000 0.909 465 S HN 0.677 nan 8.310 nan 0.000 0.555 466 E N 0.922 121.170 120.200 0.080 0.000 2.199 466 E HA 0.570 4.920 4.350 -0.000 0.000 0.265 466 E C -2.798 173.836 176.600 0.056 0.000 0.882 466 E CA -2.191 54.251 56.400 0.068 0.000 0.759 466 E CB 1.021 30.771 29.700 0.084 0.000 1.148 466 E HN 0.536 nan 8.360 nan 0.000 0.412 467 P HA 0.049 nan 4.420 nan 0.000 0.268 467 P C -0.753 176.568 177.300 0.035 0.000 1.205 467 P CA -0.134 62.986 63.100 0.034 0.000 0.771 467 P CB 0.495 32.211 31.700 0.026 0.000 0.858 468 E N 1.735 121.954 120.200 0.032 0.000 2.414 468 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 468 E C -0.097 176.516 176.600 0.021 0.000 1.000 468 E CA -0.255 56.163 56.400 0.030 0.000 0.914 468 E CB 0.389 30.105 29.700 0.026 0.000 0.948 468 E HN 0.377 nan 8.360 nan 0.000 0.444 469 S N 3.035 118.744 115.700 0.016 0.000 2.546 469 S HA -0.054 4.416 4.470 -0.000 0.000 0.290 469 S C 1.197 175.802 174.600 0.009 0.000 1.290 469 S CA -0.075 58.131 58.200 0.010 0.000 1.069 469 S CB 0.820 64.020 63.200 0.000 0.000 0.846 469 S HN 0.542 nan 8.310 nan 0.000 0.495 470 V N 2.019 121.940 119.914 0.011 0.000 2.871 470 V HA 0.047 4.167 4.120 -0.000 0.000 0.256 470 V C 1.439 177.537 176.094 0.007 0.000 1.082 470 V CA 1.557 63.863 62.300 0.009 0.000 1.105 470 V CB -0.549 31.281 31.823 0.011 0.000 0.713 470 V HN 0.819 nan 8.190 nan 0.000 0.473 471 D N 0.887 121.292 120.400 0.007 0.000 2.271 471 D HA 0.106 4.746 4.640 -0.000 0.000 0.206 471 D C 0.766 177.062 176.300 -0.006 0.000 0.967 471 D CA 1.043 55.047 54.000 0.006 0.000 0.867 471 D CB 0.850 41.658 40.800 0.014 0.000 0.960 471 D HN 0.524 nan 8.370 nan 0.000 0.509 472 V N 3.515 123.421 119.914 -0.014 0.000 2.384 472 V HA 0.191 4.311 4.120 -0.000 0.000 0.257 472 V C -2.425 173.656 176.094 -0.022 0.000 0.969 472 V CA -1.286 60.996 62.300 -0.030 0.000 0.910 472 V CB 1.323 33.110 31.823 -0.059 0.000 1.150 472 V HN -0.057 nan 8.190 nan 0.000 0.481 473 P HA 0.349 nan 4.420 nan 0.000 0.275 473 P C -0.320 176.979 177.300 -0.003 0.000 1.228 473 P CA 0.118 63.217 63.100 -0.003 0.000 0.786 473 P CB 1.562 33.263 31.700 0.000 0.000 0.927 474 A N 3.348 126.172 122.820 0.008 0.000 2.289 474 A HA 0.327 4.647 4.320 -0.000 0.000 0.298 474 A C 0.237 177.829 177.584 0.012 0.000 1.208 474 A CA -0.476 51.570 52.037 0.014 0.000 0.845 474 A CB 0.156 19.177 19.000 0.034 0.000 1.125 474 A HN 0.431 nan 8.150 nan 0.000 0.517 475 Q N 2.619 122.424 119.800 0.009 0.000 2.259 475 Q HA 0.365 4.705 4.340 -0.000 0.000 0.249 475 Q C -2.259 173.748 176.000 0.011 0.000 0.914 475 Q CA -1.941 53.866 55.803 0.008 0.000 0.904 475 Q CB 0.827 29.567 28.738 0.003 0.000 1.213 475 Q HN 0.568 nan 8.270 nan 0.000 0.428 476 P HA 0.140 nan 4.420 nan 0.000 0.269 476 P C -0.341 176.965 177.300 0.010 0.000 1.215 476 P CA -0.264 62.840 63.100 0.007 0.000 0.780 476 P CB 0.755 32.457 31.700 0.003 0.000 0.898 477 I N 2.061 122.635 120.570 0.006 0.000 2.342 477 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 477 I C 1.177 177.299 176.117 0.009 0.000 1.010 477 I CA 0.077 61.385 61.300 0.013 0.000 1.308 477 I CB 0.335 38.337 38.000 0.003 0.000 1.400 477 I HN 0.419 nan 8.210 nan 0.000 0.488 478 T N 1.935 116.502 114.554 0.022 0.000 2.932 478 T HA 0.816 5.166 4.350 -0.000 0.000 0.289 478 T C -0.012 174.702 174.700 0.024 0.000 1.039 478 T CA -0.698 61.414 62.100 0.020 0.000 1.024 478 T CB 2.172 71.056 68.868 0.027 0.000 1.090 478 T HN 0.632 nan 8.240 nan 0.000 0.496 479 T N -1.170 113.391 114.554 0.012 0.000 2.916 479 T HA 0.737 5.087 4.350 -0.000 0.000 0.292 479 T C 0.299 175.018 174.700 0.032 0.000 1.055 479 T CA -0.733 61.370 62.100 0.006 0.000 1.009 479 T CB 1.369 70.210 68.868 -0.045 0.000 1.118 479 T HN 1.012 nan 8.240 nan 0.000 0.497 480 T N -0.636 113.947 114.554 0.049 0.000 2.862 480 T HA 0.446 4.796 4.350 -0.000 0.000 0.276 480 T C 0.807 175.577 174.700 0.117 0.000 0.974 480 T CA -0.873 61.288 62.100 0.101 0.000 0.966 480 T CB 0.659 69.598 68.868 0.118 0.000 1.072 480 T HN 0.502 nan 8.240 nan 0.000 0.538 481 F N 0.374 120.361 119.950 0.061 0.000 2.102 481 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 481 F C 2.019 177.898 175.800 0.132 0.000 1.105 481 F CA 1.388 59.463 58.000 0.125 0.000 1.239 481 F CB -0.468 38.605 39.000 0.122 0.000 0.991 481 F HN 0.477 nan 8.300 nan 0.000 0.474 482 L N -0.010 121.359 121.223 0.243 0.000 2.017 482 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 482 L C 2.389 179.291 176.870 0.052 0.000 1.073 482 L CA 1.753 56.686 54.840 0.155 0.000 0.745 482 L CB -0.734 41.431 42.059 0.177 0.000 0.894 482 L HN 0.154 nan 8.230 nan 0.000 0.432 483 E N -0.268 119.956 120.200 0.041 0.000 2.085 483 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 483 E C 2.341 178.853 176.600 -0.147 0.000 0.994 483 E CA 1.077 57.464 56.400 -0.023 0.000 0.801 483 E CB -0.037 29.653 29.700 -0.017 0.000 0.743 483 E HN 0.384 nan 8.360 nan 0.000 0.453 484 R N -0.479 119.865 120.500 -0.260 0.000 2.115 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.226 484 R C 1.633 177.541 176.300 -0.654 0.000 1.100 484 R CA 0.966 56.764 56.100 -0.504 0.000 0.980 484 R CB 0.085 29.966 30.300 -0.699 0.000 0.875 484 R HN 0.293 nan 8.270 nan 0.000 0.445 485 H N -1.021 117.872 119.070 -0.295 0.000 3.046 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.262 485 H C 0.296 175.528 175.328 -0.159 0.000 1.044 485 H CA -0.223 55.643 56.048 -0.303 0.000 1.209 485 H CB 0.483 29.893 29.762 -0.587 0.000 1.507 485 H HN 0.008 nan 8.280 nan 0.000 0.507 486 L N 4.552 125.771 121.223 -0.008 0.000 2.525 486 L HA 0.030 4.370 4.340 -0.000 0.000 0.278 486 L C -1.660 175.201 176.870 -0.015 0.000 1.218 486 L CA -1.273 53.584 54.840 0.027 0.000 0.878 486 L CB 0.264 42.379 42.059 0.092 0.000 1.127 486 L HN -0.007 nan 8.230 nan 0.000 0.492 487 P HA 0.098 nan 4.420 nan 0.000 0.274 487 P C -0.560 176.692 177.300 -0.081 0.000 1.237 487 P CA -0.573 62.496 63.100 -0.052 0.000 0.793 487 P CB 0.982 32.651 31.700 -0.052 0.000 0.977 488 S N 0.364 115.993 115.700 -0.118 0.000 2.617 488 S HA 0.071 4.541 4.470 -0.000 0.000 0.255 488 S C 1.523 175.979 174.600 -0.240 0.000 1.318 488 S CA -0.515 57.587 58.200 -0.164 0.000 0.978 488 S CB -0.399 62.697 63.200 -0.173 0.000 0.961 488 S HN 0.224 nan 8.310 nan 0.000 0.582 489 V N 2.377 122.081 119.914 -0.350 0.000 2.261 489 V HA -0.072 4.048 4.120 -0.000 0.000 0.246 489 V C -0.431 175.229 176.094 -0.723 0.000 1.047 489 V CA 1.933 63.939 62.300 -0.490 0.000 1.015 489 V CB -1.929 29.609 31.823 -0.474 0.000 0.642 489 V HN 0.801 nan 8.190 nan 0.000 0.446 490 P HA -0.121 nan 4.420 nan 0.000 0.218 490 P C 1.755 178.831 177.300 -0.373 0.000 1.149 490 P CA 1.999 64.613 63.100 -0.811 0.000 0.817 490 P CB -0.303 31.017 31.700 -0.633 0.000 0.785 491 G N 0.633 109.262 108.800 -0.286 0.000 2.418 491 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 491 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 491 G C 1.486 176.302 174.900 -0.139 0.000 1.158 491 G CA 0.622 45.623 45.100 -0.166 0.000 0.771 491 G HN 0.273 nan 8.290 nan 0.000 0.545 492 L N 0.338 121.466 121.223 -0.159 0.000 2.217 492 L HA 0.246 4.586 4.340 -0.000 0.000 0.211 492 L C 2.502 179.304 176.870 -0.113 0.000 1.107 492 L CA 1.039 55.812 54.840 -0.112 0.000 0.783 492 L CB -0.192 41.810 42.059 -0.095 0.000 0.919 492 L HN 0.181 nan 8.230 nan 0.000 0.442 493 L N -1.076 120.045 121.223 -0.170 0.000 2.156 493 L HA -0.102 4.238 4.340 -0.000 0.000 0.208 493 L C 2.585 179.400 176.870 -0.092 0.000 1.095 493 L CA 0.855 55.614 54.840 -0.135 0.000 0.770 493 L CB -0.468 41.474 42.059 -0.194 0.000 0.914 493 L HN 0.198 nan 8.230 nan 0.000 0.439 494 R N -0.204 120.235 120.500 -0.101 0.000 2.235 494 R HA -0.068 4.272 4.340 -0.000 0.000 0.213 494 R C 1.389 177.662 176.300 -0.045 0.000 1.059 494 R CA 0.615 56.678 56.100 -0.062 0.000 0.997 494 R CB 0.041 30.304 30.300 -0.063 0.000 0.884 494 R HN 0.179 nan 8.270 nan 0.000 0.462 495 L N 0.200 121.394 121.223 -0.050 0.000 2.627 495 L HA 0.212 4.552 4.340 -0.000 0.000 0.232 495 L C -0.134 176.720 176.870 -0.027 0.000 1.150 495 L CA 0.735 55.554 54.840 -0.034 0.000 0.917 495 L CB 0.179 42.218 42.059 -0.033 0.000 1.104 495 L HN 0.003 nan 8.230 nan 0.000 0.445 496 I N 0.000 120.553 120.570 -0.029 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.288 61.300 -0.019 0.000 1.566 496 I CB 0.000 37.988 38.000 -0.021 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494