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 2bk4_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 GGTTRIFSTT 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 0.000 175.510 175.510 0.000 0.000 1.280 3 N CA 0.000 52.941 53.050 -0.182 0.000 0.885 3 N CB 0.000 38.416 38.487 -0.118 0.000 1.341 4 K N 0.805 121.219 120.400 0.024 0.000 2.159 4 K HA 0.639 4.959 4.320 -0.000 0.000 0.266 4 K C -0.420 176.221 176.600 0.068 0.000 0.975 4 K CA -0.581 55.733 56.287 0.045 0.000 0.865 4 K CB 1.881 34.393 32.500 0.019 0.000 1.087 4 K HN 0.624 nan 8.250 nan 0.000 0.446 5 C N -1.176 118.168 119.300 0.074 0.000 3.314 5 C HA 0.380 4.840 4.460 -0.000 0.000 0.344 5 C C 0.685 175.713 174.990 0.063 0.000 1.461 5 C CA -0.798 58.263 59.018 0.072 0.000 1.249 5 C CB 0.892 28.687 27.740 0.091 0.000 1.632 5 C HN 0.804 nan 8.230 nan 0.000 0.452 6 D N 0.282 120.722 120.400 0.067 0.000 2.120 6 D HA 0.116 4.756 4.640 -0.000 0.000 0.202 6 D C 0.341 176.710 176.300 0.114 0.000 0.972 6 D CA 1.746 55.796 54.000 0.083 0.000 0.837 6 D CB 0.229 41.076 40.800 0.079 0.000 0.989 6 D HN 0.490 nan 8.370 nan 0.000 0.469 7 V N 1.417 121.387 119.914 0.094 0.000 2.623 7 V HA 0.247 4.367 4.120 -0.000 0.000 0.304 7 V C -0.157 175.969 176.094 0.054 0.000 1.054 7 V CA -0.841 61.516 62.300 0.095 0.000 0.882 7 V CB 2.776 34.642 31.823 0.073 0.000 1.002 7 V HN -0.243 nan 8.190 nan 0.000 0.424 8 V N 5.235 125.177 119.914 0.046 0.000 2.407 8 V HA 0.398 4.518 4.120 -0.000 0.000 0.278 8 V C -0.050 176.038 176.094 -0.010 0.000 1.037 8 V CA -0.403 61.894 62.300 -0.005 0.000 0.900 8 V CB 1.825 33.639 31.823 -0.015 0.000 0.983 8 V HN 0.638 nan 8.190 nan 0.000 0.459 9 V N 6.230 126.123 119.914 -0.035 0.000 2.370 9 V HA 0.315 4.435 4.120 -0.000 0.000 0.279 9 V C 0.016 176.085 176.094 -0.042 0.000 1.029 9 V CA -0.584 61.701 62.300 -0.025 0.000 0.870 9 V CB 1.722 33.534 31.823 -0.019 0.000 0.984 9 V HN 0.603 nan 8.190 nan 0.000 0.451 10 V N 4.671 124.575 119.914 -0.017 0.000 2.353 10 V HA 0.788 4.908 4.120 -0.000 0.000 0.264 10 V C 0.717 176.817 176.094 0.010 0.000 1.049 10 V CA 0.455 62.746 62.300 -0.014 0.000 0.896 10 V CB 0.350 32.182 31.823 0.015 0.000 1.025 10 V HN 1.262 nan 8.190 nan 0.000 0.475 11 G N 3.611 112.403 108.800 -0.013 0.000 3.226 11 G HA2 0.199 4.159 3.960 -0.000 0.000 0.685 11 G HA3 0.199 4.159 3.960 -0.000 0.000 0.685 11 G C 0.060 174.962 174.900 0.003 0.000 1.207 11 G CA -0.512 44.593 45.100 0.007 0.000 0.877 11 G HN 1.174 nan 8.290 nan 0.000 0.585 12 G N 0.738 109.537 108.800 -0.002 0.000 3.959 12 G HA2 0.673 4.633 3.960 -0.000 0.000 0.298 12 G HA3 0.673 4.633 3.960 -0.000 0.000 0.298 12 G C 0.898 175.813 174.900 0.024 0.000 1.211 12 G CA 0.933 46.032 45.100 -0.001 0.000 1.001 12 G HN 1.288 nan 8.290 nan 0.000 0.561 13 G N -0.119 108.707 108.800 0.043 0.000 2.588 13 G HA2 0.333 4.293 3.960 -0.000 0.000 0.278 13 G HA3 0.333 4.293 3.960 -0.000 0.000 0.278 13 G C 1.208 176.134 174.900 0.044 0.000 1.307 13 G CA -0.744 44.391 45.100 0.059 0.000 1.016 13 G HN 0.140 nan 8.290 nan 0.000 0.503 14 I N -0.564 120.034 120.570 0.047 0.000 2.194 14 I HA -0.230 3.940 4.170 -0.000 0.000 0.246 14 I C 3.015 179.155 176.117 0.039 0.000 1.093 14 I CA 1.672 62.993 61.300 0.035 0.000 1.355 14 I CB -0.110 37.913 38.000 0.040 0.000 1.046 14 I HN 0.474 nan 8.210 nan 0.000 0.413 15 S N 0.457 116.192 115.700 0.059 0.000 2.355 15 S HA -0.115 4.355 4.470 -0.000 0.000 0.222 15 S C 2.106 176.733 174.600 0.045 0.000 1.031 15 S CA 1.556 59.795 58.200 0.064 0.000 0.993 15 S CB -0.596 62.661 63.200 0.094 0.000 0.859 15 S HN 0.572 nan 8.310 nan 0.000 0.453 16 G N 1.735 110.561 108.800 0.043 0.000 2.421 16 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 16 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 16 G C 1.459 176.363 174.900 0.006 0.000 1.171 16 G CA 1.057 46.172 45.100 0.024 0.000 0.775 16 G HN 0.392 nan 8.290 nan 0.000 0.543 17 M N 1.250 120.852 119.600 0.003 0.000 2.117 17 M HA 0.034 4.514 4.480 -0.000 0.000 0.262 17 M C 3.028 179.322 176.300 -0.011 0.000 1.065 17 M CA 1.319 56.612 55.300 -0.012 0.000 1.114 17 M CB -1.409 31.181 32.600 -0.016 0.000 1.361 17 M HN 0.317 nan 8.290 nan 0.000 0.408 18 A N 0.251 123.070 122.820 -0.001 0.000 1.902 18 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 18 A C 2.461 180.044 177.584 -0.002 0.000 1.181 18 A CA 2.224 54.261 52.037 0.000 0.000 0.623 18 A CB -0.914 18.092 19.000 0.010 0.000 0.818 18 A HN 0.484 nan 8.150 nan 0.000 0.443 19 A N -0.150 122.669 122.820 -0.001 0.000 1.877 19 A HA 0.175 4.495 4.320 -0.000 0.000 0.216 19 A C 2.533 180.112 177.584 -0.008 0.000 1.186 19 A CA 2.121 54.151 52.037 -0.011 0.000 0.620 19 A CB -1.091 17.904 19.000 -0.010 0.000 0.822 19 A HN 1.073 nan 8.150 nan 0.000 0.443 20 A N -0.217 122.601 122.820 -0.004 0.000 1.902 20 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 20 A C 2.142 179.742 177.584 0.028 0.000 1.181 20 A CA 2.078 54.117 52.037 0.004 0.000 0.623 20 A CB -0.483 18.507 19.000 -0.016 0.000 0.818 20 A HN 0.574 nan 8.150 nan 0.000 0.443 21 K N -0.449 119.959 120.400 0.013 0.000 2.026 21 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 21 K C 1.995 178.636 176.600 0.068 0.000 1.048 21 K CA 1.545 57.855 56.287 0.038 0.000 0.929 21 K CB -0.317 32.187 32.500 0.007 0.000 0.713 21 K HN 0.457 nan 8.250 nan 0.000 0.439 22 L N 1.103 122.343 121.223 0.028 0.000 2.017 22 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 22 L C 2.186 179.062 176.870 0.010 0.000 1.073 22 L CA 1.206 56.052 54.840 0.011 0.000 0.745 22 L CB -0.157 41.892 42.059 -0.015 0.000 0.894 22 L HN 0.257 nan 8.230 nan 0.000 0.432 23 L N -1.085 120.146 121.223 0.013 0.000 2.017 23 L HA -0.274 4.066 4.340 -0.000 0.000 0.208 23 L C 2.612 179.501 176.870 0.031 0.000 1.073 23 L CA 1.544 56.387 54.840 0.005 0.000 0.745 23 L CB -0.886 41.173 42.059 0.000 0.000 0.894 23 L HN 0.408 nan 8.230 nan 0.000 0.432 24 H N 0.423 119.481 119.070 -0.020 0.000 2.319 24 H HA -0.218 4.338 4.556 -0.000 0.000 0.299 24 H C 1.820 177.140 175.328 -0.013 0.000 1.092 24 H CA 2.180 58.220 56.048 -0.014 0.000 1.302 24 H CB -0.032 29.722 29.762 -0.013 0.000 1.373 24 H HN 0.233 nan 8.280 nan 0.000 0.497 25 D N -0.592 119.800 120.400 -0.013 0.000 2.218 25 D HA -0.095 4.545 4.640 -0.000 0.000 0.204 25 D C 1.952 178.198 176.300 -0.090 0.000 0.976 25 D CA 1.254 55.217 54.000 -0.063 0.000 0.853 25 D CB -0.236 40.572 40.800 0.014 0.000 0.939 25 D HN 0.348 nan 8.370 nan 0.000 0.481 26 S N -1.108 114.550 115.700 -0.069 0.000 2.562 26 S HA 0.225 4.695 4.470 -0.000 0.000 0.221 26 S C 1.592 176.147 174.600 -0.075 0.000 0.975 26 S CA 0.645 58.809 58.200 -0.061 0.000 0.918 26 S CB 0.606 63.779 63.200 -0.046 0.000 0.772 26 S HN 0.457 nan 8.310 nan 0.000 0.531 27 G N 0.920 109.648 108.800 -0.118 0.000 2.144 27 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.218 27 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.218 27 G C -0.063 174.793 174.900 -0.074 0.000 0.988 27 G CA -0.352 44.678 45.100 -0.117 0.000 0.659 27 G HN 0.410 nan 8.290 nan 0.000 0.522 28 L N 0.541 121.734 121.223 -0.051 0.000 2.399 28 L HA 0.432 4.772 4.340 -0.000 0.000 0.266 28 L C 0.166 177.049 176.870 0.022 0.000 1.114 28 L CA -1.081 53.755 54.840 -0.007 0.000 0.804 28 L CB 0.661 42.723 42.059 0.005 0.000 1.146 28 L HN 0.005 nan 8.230 nan 0.000 0.451 29 N N 2.036 120.761 118.700 0.041 0.000 2.406 29 N HA 0.259 4.999 4.740 -0.000 0.000 0.251 29 N C -0.654 174.899 175.510 0.072 0.000 1.069 29 N CA -0.098 52.991 53.050 0.066 0.000 0.947 29 N CB 1.491 40.011 38.487 0.056 0.000 1.111 29 N HN 0.351 nan 8.380 nan 0.000 0.497 30 V N 0.176 120.141 119.914 0.086 0.000 2.667 30 V HA 0.734 4.854 4.120 -0.000 0.000 0.308 30 V C -0.043 176.072 176.094 0.035 0.000 1.048 30 V CA -0.728 61.607 62.300 0.058 0.000 0.928 30 V CB 1.964 33.819 31.823 0.053 0.000 1.004 30 V HN 0.155 nan 8.190 nan 0.000 0.444 31 V N 3.666 123.582 119.914 0.004 0.000 2.656 31 V HA 0.545 4.665 4.120 -0.000 0.000 0.307 31 V C -0.360 175.677 176.094 -0.095 0.000 1.051 31 V CA -0.524 61.749 62.300 -0.045 0.000 0.893 31 V CB 2.108 33.894 31.823 -0.061 0.000 0.999 31 V HN 0.843 nan 8.190 nan 0.000 0.426 32 V N 6.073 125.924 119.914 -0.106 0.000 2.370 32 V HA 0.466 4.586 4.120 -0.000 0.000 0.283 32 V C -0.239 175.759 176.094 -0.160 0.000 1.023 32 V CA -0.466 61.768 62.300 -0.109 0.000 0.857 32 V CB 1.505 33.285 31.823 -0.072 0.000 0.985 32 V HN 0.615 nan 8.190 nan 0.000 0.443 33 L N 4.545 125.658 121.223 -0.184 0.000 2.265 33 L HA 0.616 4.956 4.340 -0.000 0.000 0.289 33 L C -0.180 176.609 176.870 -0.134 0.000 1.033 33 L CA -0.331 54.385 54.840 -0.206 0.000 0.814 33 L CB 1.392 43.292 42.059 -0.266 0.000 1.203 33 L HN 0.628 nan 8.230 nan 0.000 0.423 34 E N 2.358 122.483 120.200 -0.125 0.000 2.176 34 E HA 0.496 4.846 4.350 -0.000 0.000 0.267 34 E C 0.294 176.791 176.600 -0.172 0.000 0.893 34 E CA -0.327 56.002 56.400 -0.118 0.000 0.761 34 E CB 2.059 31.711 29.700 -0.080 0.000 1.133 34 E HN 0.550 nan 8.360 nan 0.000 0.409 35 A N 5.412 128.067 122.820 -0.274 0.000 1.902 35 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 35 A C 1.073 178.420 177.584 -0.395 0.000 1.181 35 A CA 1.018 52.757 52.037 -0.497 0.000 0.623 35 A CB -0.215 18.105 19.000 -1.133 0.000 0.818 35 A HN 0.610 nan 8.150 nan 0.000 0.443 36 R N -0.045 120.299 120.500 -0.260 0.000 2.580 36 R HA 0.230 4.570 4.340 -0.000 0.000 0.267 36 R C 0.122 176.377 176.300 -0.074 0.000 1.125 36 R CA 0.171 56.199 56.100 -0.121 0.000 1.188 36 R CB 0.150 30.422 30.300 -0.047 0.000 1.155 36 R HN 0.477 nan 8.270 nan 0.000 0.586 37 D N 0.411 120.787 120.400 -0.040 0.000 2.323 37 D HA -0.032 4.608 4.640 -0.000 0.000 0.239 37 D C -0.043 176.255 176.300 -0.003 0.000 1.129 37 D CA 0.087 54.074 54.000 -0.022 0.000 0.865 37 D CB -0.025 40.768 40.800 -0.013 0.000 0.913 37 D HN 0.440 nan 8.370 nan 0.000 0.517 38 R N -1.211 119.289 120.500 0.001 0.000 2.764 38 R HA 0.583 4.923 4.340 -0.000 0.000 0.270 38 R C -0.692 175.628 176.300 0.033 0.000 1.014 38 R CA -1.090 55.030 56.100 0.034 0.000 0.904 38 R CB 1.193 31.538 30.300 0.076 0.000 1.236 38 R HN -0.098 nan 8.270 nan 0.000 0.466 39 V N -1.677 118.265 119.914 0.047 0.000 3.234 39 V HA 0.855 4.975 4.120 -0.000 0.000 0.317 39 V C 0.935 177.083 176.094 0.090 0.000 1.081 39 V CA 0.416 62.743 62.300 0.045 0.000 1.037 39 V CB 0.783 32.617 31.823 0.020 0.000 1.148 39 V HN 1.197 nan 8.190 nan 0.000 0.453 40 G N -0.894 107.958 108.800 0.086 0.000 2.339 40 G HA2 0.133 4.093 3.960 -0.000 0.000 0.209 40 G HA3 0.133 4.093 3.960 -0.000 0.000 0.209 40 G C 1.648 176.636 174.900 0.146 0.000 1.015 40 G CA 0.785 45.956 45.100 0.118 0.000 0.635 40 G HN 2.636 nan 8.290 nan 0.000 0.499 41 G N 0.587 109.487 108.800 0.166 0.000 2.620 41 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.315 41 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.315 41 G C 0.956 176.019 174.900 0.271 0.000 1.179 41 G CA 1.484 46.700 45.100 0.194 0.000 0.971 41 G HN 1.205 nan 8.290 nan 0.000 0.544 42 R N 1.893 122.460 120.500 0.112 0.000 2.323 42 R HA 0.220 4.560 4.340 -0.000 0.000 0.198 42 R C 1.047 177.243 176.300 -0.173 0.000 0.988 42 R CA 1.058 57.047 56.100 -0.185 0.000 1.041 42 R CB -0.176 29.982 30.300 -0.236 0.000 0.926 42 R HN 0.709 nan 8.270 nan 0.000 0.476 43 T N -2.439 112.169 114.554 0.091 0.000 2.859 43 T HA 0.377 4.727 4.350 -0.000 0.000 0.281 43 T C -0.945 173.985 174.700 0.383 0.000 1.005 43 T CA -0.650 61.552 62.100 0.171 0.000 1.025 43 T CB 1.608 70.541 68.868 0.109 0.000 0.977 43 T HN 0.112 nan 8.240 nan 0.000 0.458 44 Y N 1.110 121.563 120.300 0.254 0.000 2.313 44 Y HA 0.428 4.978 4.550 -0.000 0.000 0.320 44 Y C -1.231 174.781 175.900 0.187 0.000 1.171 44 Y CA -0.775 57.470 58.100 0.241 0.000 1.093 44 Y CB 1.564 40.222 38.460 0.330 0.000 1.224 44 Y HN 0.880 nan 8.280 nan 0.000 0.421 45 T N 7.819 122.179 114.554 -0.323 0.000 2.770 45 T HA 0.397 4.747 4.350 -0.000 0.000 0.297 45 T C -0.856 173.508 174.700 -0.560 0.000 0.997 45 T CA -0.401 61.518 62.100 -0.302 0.000 0.949 45 T CB 0.557 69.363 68.868 -0.104 0.000 0.941 45 T HN 0.575 nan 8.240 nan 0.000 0.457 46 L N 4.514 125.435 121.223 -0.503 0.000 2.305 46 L HA 0.561 4.901 4.340 -0.000 0.000 0.281 46 L C -0.076 176.717 176.870 -0.128 0.000 1.085 46 L CA -0.026 54.600 54.840 -0.357 0.000 0.813 46 L CB 0.426 42.377 42.059 -0.180 0.000 1.157 46 L HN 0.496 nan 8.230 nan 0.000 0.436 47 R N 3.695 124.145 120.500 -0.084 0.000 2.437 47 R HA 0.603 4.943 4.340 -0.000 0.000 0.310 47 R C -1.118 175.158 176.300 -0.041 0.000 0.955 47 R CA -0.574 55.502 56.100 -0.041 0.000 0.851 47 R CB 1.256 31.543 30.300 -0.022 0.000 1.161 47 R HN 0.919 nan 8.270 nan 0.000 0.446 48 N N -0.895 117.764 118.700 -0.068 0.000 3.020 48 N HA -0.012 4.728 4.740 -0.000 0.000 0.248 48 N C -0.145 175.301 175.510 -0.107 0.000 1.480 48 N CA -0.953 52.053 53.050 -0.073 0.000 0.874 48 N CB 0.828 39.277 38.487 -0.064 0.000 1.433 48 N HN 0.350 nan 8.380 nan 0.000 0.530 49 Q N -0.446 119.302 119.800 -0.088 0.000 2.167 49 Q HA -0.029 4.311 4.340 -0.000 0.000 0.202 49 Q C 0.495 176.448 176.000 -0.078 0.000 0.970 49 Q CA 1.165 56.931 55.803 -0.061 0.000 0.855 49 Q CB 0.076 28.790 28.738 -0.039 0.000 0.911 49 Q HN 0.497 nan 8.270 nan 0.000 0.438 50 K N 0.043 120.305 120.400 -0.229 0.000 2.155 50 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 50 K C 1.983 178.375 176.600 -0.347 0.000 1.052 50 K CA 1.329 57.384 56.287 -0.387 0.000 0.948 50 K CB 0.111 32.047 32.500 -0.941 0.000 0.728 50 K HN 0.323 nan 8.250 nan 0.000 0.448 51 V N -2.730 116.936 119.914 -0.412 0.000 3.645 51 V HA 0.218 4.338 4.120 -0.000 0.000 0.275 51 V C 1.419 177.097 176.094 -0.693 0.000 1.356 51 V CA 0.680 62.684 62.300 -0.493 0.000 1.051 51 V CB 0.182 31.746 31.823 -0.431 0.000 0.828 51 V HN 0.277 nan 8.190 nan 0.000 0.441 52 K N 0.633 120.709 120.400 -0.541 0.000 10.883 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.526 52 K C 0.142 176.631 176.600 -0.186 0.000 0.382 52 K CA 2.508 58.527 56.287 -0.447 0.000 1.943 52 K CB -1.508 30.525 32.500 -0.778 0.000 0.766 52 K HN 0.959 nan 8.250 nan 0.000 1.214 53 Y N -1.748 118.393 120.300 -0.266 0.000 2.562 53 Y HA 0.742 5.292 4.550 -0.000 0.000 0.345 53 Y C -1.213 174.637 175.900 -0.084 0.000 1.045 53 Y CA -0.744 57.266 58.100 -0.150 0.000 1.028 53 Y CB 2.104 40.496 38.460 -0.114 0.000 1.297 53 Y HN 0.033 nan 8.280 nan 0.000 0.463 54 V N 2.420 122.385 119.914 0.085 0.000 2.817 54 V HA 0.359 4.479 4.120 -0.000 0.000 0.303 54 V C -1.570 174.582 176.094 0.097 0.000 1.151 54 V CA -0.646 61.709 62.300 0.091 0.000 0.929 54 V CB 1.936 33.833 31.823 0.124 0.000 1.030 54 V HN 0.925 nan 8.190 nan 0.000 0.427 55 D N 5.545 126.015 120.400 0.116 0.000 2.343 55 D HA 0.288 4.928 4.640 -0.000 0.000 0.255 55 D C 0.810 177.194 176.300 0.140 0.000 1.187 55 D CA 0.260 54.317 54.000 0.094 0.000 0.875 55 D CB 1.849 42.676 40.800 0.046 0.000 1.136 55 D HN 0.513 nan 8.370 nan 0.000 0.469 56 L N 1.473 122.838 121.223 0.237 0.000 2.590 56 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 56 L C 1.523 178.792 176.870 0.664 0.000 1.099 56 L CA 0.046 55.125 54.840 0.399 0.000 0.872 56 L CB 0.388 42.701 42.059 0.423 0.000 1.088 56 L HN 0.342 nan 8.230 nan 0.000 0.479 57 G N -0.720 108.393 108.800 0.522 0.000 3.247 57 G HA2 0.419 4.379 3.960 -0.000 0.000 0.163 57 G HA3 0.419 4.379 3.960 -0.000 0.000 0.163 57 G C -0.128 174.793 174.900 0.035 0.000 1.206 57 G CA -0.040 45.178 45.100 0.197 0.000 0.918 57 G HN 0.084 nan 8.290 nan 0.000 0.625 58 G N -0.740 108.011 108.800 -0.081 0.000 2.321 58 G HA2 0.363 4.323 3.960 -0.000 0.000 0.237 58 G HA3 0.363 4.323 3.960 -0.000 0.000 0.237 58 G C 0.538 175.411 174.900 -0.045 0.000 1.282 58 G CA 0.932 45.988 45.100 -0.073 0.000 0.886 58 G HN 0.844 nan 8.290 nan 0.000 0.528 59 S N 1.271 116.887 115.700 -0.140 0.000 3.330 59 S HA 0.187 4.657 4.470 -0.000 0.000 0.259 59 S C 0.108 174.468 174.600 -0.400 0.000 1.095 59 S CA -0.331 57.689 58.200 -0.299 0.000 0.841 59 S CB -0.017 62.854 63.200 -0.548 0.000 0.890 59 S HN 0.491 nan 8.310 nan 0.000 0.446 60 Y N 2.862 123.118 120.300 -0.073 0.000 2.309 60 Y HA 0.526 5.076 4.550 -0.000 0.000 0.327 60 Y C 0.293 176.063 175.900 -0.218 0.000 1.172 60 Y CA -0.325 57.681 58.100 -0.155 0.000 1.280 60 Y CB 1.188 39.594 38.460 -0.090 0.000 1.234 60 Y HN 0.140 nan 8.280 nan 0.000 0.512 61 V N -0.196 119.597 119.914 -0.202 0.000 3.078 61 V HA 1.100 5.220 4.120 -0.000 0.000 0.311 61 V C -0.345 175.553 176.094 -0.328 0.000 1.138 61 V CA -0.519 61.583 62.300 -0.330 0.000 1.007 61 V CB 1.713 33.269 31.823 -0.446 0.000 1.045 61 V HN 0.937 nan 8.190 nan 0.000 0.432 62 G N 0.464 109.027 108.800 -0.395 0.000 2.606 62 G HA2 0.728 4.688 3.960 -0.000 0.000 0.300 62 G HA3 0.728 4.688 3.960 -0.000 0.000 0.300 62 G C -3.440 171.293 174.900 -0.279 0.000 1.360 62 G CA -1.172 43.746 45.100 -0.304 0.000 0.783 62 G HN 0.721 nan 8.290 nan 0.000 0.484 63 P HA 0.118 nan 4.420 nan 0.000 0.265 63 P C 0.796 178.075 177.300 -0.034 0.000 1.187 63 P CA 1.944 64.997 63.100 -0.078 0.000 0.766 63 P CB 0.866 32.550 31.700 -0.027 0.000 0.820 64 T N -1.493 113.074 114.554 0.023 0.000 7.013 64 T HA -0.254 4.096 4.350 -0.000 0.000 0.288 64 T C 0.239 174.979 174.700 0.066 0.000 2.146 64 T CA 1.033 63.228 62.100 0.159 0.000 3.498 64 T CB -2.698 66.394 68.868 0.372 0.000 1.517 64 T HN 0.591 nan 8.240 nan 0.000 1.113 65 Q N 1.329 120.980 119.800 -0.248 0.000 3.150 65 Q HA 0.375 4.715 4.340 -0.000 0.000 0.297 65 Q C 0.933 176.840 176.000 -0.154 0.000 1.382 65 Q CA -0.470 55.090 55.803 -0.405 0.000 1.059 65 Q CB 0.210 28.512 28.738 -0.727 0.000 1.559 65 Q HN 0.503 nan 8.270 nan 0.000 0.548 66 N N 0.861 119.546 118.700 -0.025 0.000 2.331 66 N HA -0.071 4.669 4.740 -0.000 0.000 0.180 66 N C 1.251 176.775 175.510 0.023 0.000 1.019 66 N CA 0.812 53.869 53.050 0.012 0.000 0.881 66 N CB 0.260 38.777 38.487 0.049 0.000 0.972 66 N HN 0.385 nan 8.380 nan 0.000 0.435 67 R N 0.555 121.075 120.500 0.033 0.000 2.062 67 R HA 0.004 4.344 4.340 -0.000 0.000 0.229 67 R C 2.076 178.396 176.300 0.032 0.000 1.128 67 R CA 0.729 56.854 56.100 0.042 0.000 0.960 67 R CB -0.384 29.953 30.300 0.063 0.000 0.855 67 R HN 0.089 nan 8.270 nan 0.000 0.432 68 I N 1.307 121.892 120.570 0.025 0.000 2.286 68 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 68 I C 1.846 178.031 176.117 0.113 0.000 1.115 68 I CA 1.407 62.743 61.300 0.061 0.000 1.392 68 I CB -0.084 37.960 38.000 0.073 0.000 1.065 68 I HN 0.103 nan 8.210 nan 0.000 0.418 69 L N 0.122 121.396 121.223 0.085 0.000 2.046 69 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 69 L C 2.755 179.671 176.870 0.076 0.000 1.077 69 L CA 1.364 56.268 54.840 0.108 0.000 0.747 69 L CB -0.852 41.224 42.059 0.029 0.000 0.896 69 L HN 0.259 nan 8.230 nan 0.000 0.432 70 R N 0.718 121.244 120.500 0.043 0.000 2.066 70 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 70 R C 2.311 178.619 176.300 0.014 0.000 1.131 70 R CA 1.642 57.759 56.100 0.028 0.000 0.955 70 R CB -0.598 29.717 30.300 0.025 0.000 0.851 70 R HN 0.246 nan 8.270 nan 0.000 0.432 71 L N 1.172 122.399 121.223 0.008 0.000 2.017 71 L HA -0.072 4.268 4.340 -0.000 0.000 0.208 71 L C 2.420 179.257 176.870 -0.055 0.000 1.073 71 L CA 2.315 57.144 54.840 -0.019 0.000 0.745 71 L CB -0.844 41.203 42.059 -0.019 0.000 0.894 71 L HN 0.242 nan 8.230 nan 0.000 0.432 72 A N -0.627 122.148 122.820 -0.075 0.000 1.877 72 A HA -0.267 4.053 4.320 -0.000 0.000 0.216 72 A C 2.465 179.996 177.584 -0.089 0.000 1.186 72 A CA 1.991 53.919 52.037 -0.183 0.000 0.620 72 A CB -0.663 18.144 19.000 -0.322 0.000 0.822 72 A HN 0.510 nan 8.150 nan 0.000 0.443 73 K N -0.303 120.094 120.400 -0.005 0.000 2.032 73 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 73 K C 2.088 178.681 176.600 -0.011 0.000 1.048 73 K CA 1.776 58.069 56.287 0.010 0.000 0.927 73 K CB -0.202 32.316 32.500 0.030 0.000 0.712 73 K HN 0.624 nan 8.250 nan 0.000 0.441 74 E N 0.462 120.653 120.200 -0.016 0.000 2.118 74 E HA -0.184 4.166 4.350 -0.000 0.000 0.195 74 E C 1.649 178.231 176.600 -0.031 0.000 0.992 74 E CA 1.041 57.430 56.400 -0.017 0.000 0.804 74 E CB -0.007 29.686 29.700 -0.013 0.000 0.741 74 E HN 0.363 nan 8.360 nan 0.000 0.458 75 L N -0.689 120.502 121.223 -0.054 0.000 2.599 75 L HA 0.155 4.495 4.340 -0.000 0.000 0.230 75 L C 1.369 178.198 176.870 -0.067 0.000 1.141 75 L CA 0.445 55.244 54.840 -0.069 0.000 0.877 75 L CB 0.145 42.142 42.059 -0.103 0.000 1.009 75 L HN 0.382 nan 8.230 nan 0.000 0.447 76 G N 0.224 108.993 108.800 -0.051 0.000 2.131 76 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.223 76 G C 0.066 174.941 174.900 -0.041 0.000 0.990 76 G CA -0.322 44.756 45.100 -0.037 0.000 0.671 76 G HN 0.203 nan 8.290 nan 0.000 0.521 77 L N -0.235 120.953 121.223 -0.059 0.000 2.399 77 L HA 0.767 5.107 4.340 -0.000 0.000 0.265 77 L C 0.590 177.498 176.870 0.062 0.000 1.089 77 L CA -0.754 54.059 54.840 -0.045 0.000 0.802 77 L CB 1.144 43.083 42.059 -0.200 0.000 1.180 77 L HN 0.188 nan 8.230 nan 0.000 0.454 78 E N -0.245 120.034 120.200 0.132 0.000 2.336 78 E HA 0.455 4.805 4.350 -0.000 0.000 0.267 78 E C -1.001 175.752 176.600 0.255 0.000 0.906 78 E CA -0.726 55.773 56.400 0.166 0.000 0.781 78 E CB 2.481 32.247 29.700 0.110 0.000 1.261 78 E HN 0.669 nan 8.360 nan 0.000 0.436 79 T N -1.342 113.308 114.554 0.160 0.000 2.952 79 T HA 0.634 4.984 4.350 -0.000 0.000 0.286 79 T C -0.734 174.043 174.700 0.128 0.000 1.024 79 T CA -0.664 61.461 62.100 0.043 0.000 1.029 79 T CB 0.689 69.457 68.868 -0.167 0.000 1.094 79 T HN 0.531 nan 8.240 nan 0.000 0.515 80 Y N -1.481 118.806 120.300 -0.021 0.000 2.609 80 Y HA 0.730 5.280 4.550 -0.000 0.000 0.342 80 Y C -0.817 175.076 175.900 -0.012 0.000 1.058 80 Y CA -1.546 56.555 58.100 0.002 0.000 1.055 80 Y CB 1.404 39.886 38.460 0.037 0.000 1.292 80 Y HN 0.623 nan 8.280 nan 0.000 0.476 81 K N 2.257 122.700 120.400 0.072 0.000 2.258 81 K HA 0.430 4.750 4.320 -0.000 0.000 0.284 81 K C -0.823 175.791 176.600 0.023 0.000 1.051 81 K CA -0.777 55.495 56.287 -0.025 0.000 0.923 81 K CB 1.655 34.170 32.500 0.026 0.000 1.046 81 K HN 0.574 nan 8.250 nan 0.000 0.474 82 V N 3.263 123.131 119.914 -0.077 0.000 2.694 82 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 82 V C 0.597 176.719 176.094 0.047 0.000 1.054 82 V CA -0.108 62.203 62.300 0.017 0.000 1.161 82 V CB 0.243 32.062 31.823 -0.008 0.000 0.916 82 V HN 0.731 nan 8.190 nan 0.000 0.490 83 N N 3.874 122.630 118.700 0.093 0.000 2.434 83 N HA 0.010 4.750 4.740 -0.000 0.000 0.268 83 N C 0.276 175.795 175.510 0.015 0.000 1.256 83 N CA 0.522 53.617 53.050 0.074 0.000 0.914 83 N CB 0.249 38.808 38.487 0.120 0.000 1.088 83 N HN 0.818 nan 8.380 nan 0.000 0.478 84 E N 2.926 123.124 120.200 -0.004 0.000 3.191 84 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 84 E C 0.383 176.968 176.600 -0.025 0.000 0.972 84 E CA -0.065 56.312 56.400 -0.038 0.000 1.266 84 E CB 0.284 29.941 29.700 -0.071 0.000 1.076 84 E HN 0.442 nan 8.360 nan 0.000 0.462 85 V N 0.538 120.452 119.914 -0.001 0.000 2.307 85 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 85 V C 0.953 177.046 176.094 -0.002 0.000 1.045 85 V CA 1.633 63.933 62.300 0.000 0.000 1.024 85 V CB -0.150 31.677 31.823 0.008 0.000 0.651 85 V HN 0.260 nan 8.190 nan 0.000 0.449 86 E N -0.683 119.524 120.200 0.010 0.000 3.099 86 E HA 0.390 4.740 4.350 -0.000 0.000 0.259 86 E C 0.214 176.817 176.600 0.006 0.000 1.274 86 E CA -0.636 55.776 56.400 0.020 0.000 1.111 86 E CB 0.224 29.952 29.700 0.046 0.000 1.327 86 E HN 0.305 nan 8.360 nan 0.000 0.652 87 R N 0.206 120.734 120.500 0.047 0.000 2.490 87 R HA 0.280 4.620 4.340 -0.000 0.000 0.280 87 R C -0.472 175.777 176.300 -0.084 0.000 1.077 87 R CA -0.560 55.541 56.100 0.003 0.000 1.065 87 R CB 0.122 30.493 30.300 0.118 0.000 1.003 87 R HN 0.175 nan 8.270 nan 0.000 0.470 88 L N 2.563 123.562 121.223 -0.374 0.000 2.456 88 L HA 0.370 4.710 4.340 -0.000 0.000 0.257 88 L C 0.210 176.857 176.870 -0.372 0.000 1.162 88 L CA 0.195 54.712 54.840 -0.539 0.000 0.808 88 L CB 0.446 41.870 42.059 -1.057 0.000 1.136 88 L HN 0.467 nan 8.230 nan 0.000 0.466 89 I N 0.222 120.719 120.570 -0.122 0.000 2.498 89 I HA 0.267 4.437 4.170 -0.000 0.000 0.290 89 I C -0.618 175.805 176.117 0.511 0.000 1.032 89 I CA -0.461 60.930 61.300 0.151 0.000 1.073 89 I CB 1.516 39.452 38.000 -0.107 0.000 1.251 89 I HN 0.539 nan 8.210 nan 0.000 0.426 90 H N 5.478 124.886 119.070 0.563 0.000 2.541 90 H HA 0.314 4.870 4.556 -0.000 0.000 0.316 90 H C -1.281 174.298 175.328 0.417 0.000 1.043 90 H CA -0.718 55.599 56.048 0.449 0.000 1.232 90 H CB 0.899 30.834 29.762 0.289 0.000 1.406 90 H HN 0.612 nan 8.280 nan 0.000 0.469 91 H N 4.476 123.669 119.070 0.206 0.000 2.556 91 H HA 0.395 4.951 4.556 -0.000 0.000 0.310 91 H C -1.416 173.910 175.328 -0.003 0.000 1.057 91 H CA -0.411 55.694 56.048 0.096 0.000 1.264 91 H CB 0.847 30.668 29.762 0.097 0.000 1.404 91 H HN 0.338 nan 8.280 nan 0.000 0.462 92 V N 5.962 125.736 119.914 -0.232 0.000 2.808 92 V HA 0.264 4.384 4.120 -0.000 0.000 0.308 92 V C -0.815 175.222 176.094 -0.096 0.000 1.099 92 V CA -0.892 61.318 62.300 -0.150 0.000 0.920 92 V CB 1.481 33.143 31.823 -0.269 0.000 1.014 92 V HN 1.020 nan 8.190 nan 0.000 0.425 93 K N 4.722 125.097 120.400 -0.040 0.000 3.077 93 K HA -0.203 4.117 4.320 -0.000 0.000 0.264 93 K C 0.887 177.454 176.600 -0.055 0.000 1.008 93 K CA 0.985 57.266 56.287 -0.011 0.000 0.740 93 K CB -1.743 30.768 32.500 0.018 0.000 1.273 93 K HN 2.075 nan 8.250 nan 0.000 0.477 94 G N -0.254 108.473 108.800 -0.123 0.000 2.143 94 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.248 94 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.248 94 G C -0.077 174.664 174.900 -0.265 0.000 0.991 94 G CA 0.978 46.031 45.100 -0.077 0.000 0.689 94 G HN 0.390 nan 8.290 nan 0.000 0.522 95 K N -0.034 120.006 120.400 -0.600 0.000 2.468 95 K HA 0.610 4.929 4.320 -0.000 0.000 0.252 95 K C -0.452 175.792 176.600 -0.593 0.000 0.932 95 K CA -0.437 55.570 56.287 -0.467 0.000 0.794 95 K CB 1.558 33.867 32.500 -0.320 0.000 1.241 95 K HN 0.066 nan 8.250 nan 0.000 0.428 96 S N 2.282 117.771 115.700 -0.351 0.000 2.480 96 S HA 0.394 4.864 4.470 -0.000 0.000 0.286 96 S C -1.307 173.087 174.600 -0.344 0.000 1.180 96 S CA -0.399 57.724 58.200 -0.129 0.000 1.075 96 S CB 0.247 63.481 63.200 0.057 0.000 0.996 96 S HN 0.366 nan 8.310 nan 0.000 0.487 97 Y N 2.698 123.085 120.300 0.145 0.000 2.447 97 Y HA 0.357 4.907 4.550 -0.000 0.000 0.325 97 Y C -2.486 173.619 175.900 0.341 0.000 0.976 97 Y CA -2.452 55.776 58.100 0.213 0.000 1.280 97 Y CB 0.797 39.376 38.460 0.198 0.000 1.104 97 Y HN 0.456 nan 8.280 nan 0.000 0.486 98 P HA 0.261 nan 4.420 nan 0.000 0.275 98 P C -0.842 176.755 177.300 0.495 0.000 1.228 98 P CA -0.043 63.285 63.100 0.381 0.000 0.786 98 P CB 0.638 32.550 31.700 0.353 0.000 0.927 99 F N -0.983 119.095 119.950 0.214 0.000 2.741 99 F HA 0.708 5.235 4.527 -0.000 0.000 0.313 99 F C -1.146 174.737 175.800 0.139 0.000 1.153 99 F CA -1.303 56.812 58.000 0.192 0.000 0.931 99 F CB 1.457 40.581 39.000 0.207 0.000 1.335 99 F HN 0.051 nan 8.300 nan 0.000 0.460 100 R N 0.866 121.495 120.500 0.215 0.000 2.854 100 R HA 0.783 5.123 4.340 -0.000 0.000 0.271 100 R C -0.469 175.961 176.300 0.217 0.000 0.994 100 R CA -0.828 55.313 56.100 0.068 0.000 0.945 100 R CB 1.812 32.158 30.300 0.077 0.000 1.194 100 R HN 1.500 nan 8.270 nan 0.000 0.476 101 G N 1.488 110.352 108.800 0.107 0.000 2.707 101 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.686 101 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.686 101 G C -2.032 172.961 174.900 0.154 0.000 1.315 101 G CA -0.792 44.388 45.100 0.133 0.000 0.832 101 G HN 0.446 nan 8.290 nan 0.000 0.573 102 P HA 0.088 nan 4.420 nan 0.000 0.219 102 P C 0.517 177.708 177.300 -0.183 0.000 1.150 102 P CA 1.157 64.146 63.100 -0.184 0.000 0.814 102 P CB 0.094 31.529 31.700 -0.443 0.000 0.787 103 F N 0.567 120.616 119.950 0.165 0.000 2.480 103 F HA 0.456 4.983 4.527 -0.000 0.000 0.329 103 F C -2.141 173.524 175.800 -0.225 0.000 1.091 103 F CA -3.096 54.891 58.000 -0.020 0.000 0.972 103 F CB 0.981 39.775 39.000 -0.345 0.000 1.150 103 F HN -0.307 nan 8.300 nan 0.000 0.467 104 P HA 0.162 nan 4.420 nan 0.000 0.271 104 P C -2.506 174.531 177.300 -0.438 0.000 1.220 104 P CA -1.033 61.401 63.100 -1.110 0.000 0.768 104 P CB -0.052 31.070 31.700 -0.964 0.000 0.848 105 P HA 0.195 nan 4.420 nan 0.000 0.276 105 P C -0.955 176.193 177.300 -0.253 0.000 1.244 105 P CA -0.133 62.832 63.100 -0.224 0.000 0.801 105 P CB 0.658 32.256 31.700 -0.169 0.000 1.006 106 V N 0.821 120.533 119.914 -0.337 0.000 2.656 106 V HA 0.279 4.399 4.120 -0.000 0.000 0.307 106 V C -0.004 175.903 176.094 -0.311 0.000 1.051 106 V CA -0.266 61.866 62.300 -0.279 0.000 0.893 106 V CB 1.906 33.506 31.823 -0.372 0.000 0.999 106 V HN 0.676 nan 8.190 nan 0.000 0.426 107 W N 0.440 121.717 121.300 -0.037 0.000 2.798 107 W HA 0.225 4.885 4.660 -0.000 0.000 0.260 107 W C 1.337 177.850 176.519 -0.011 0.000 1.165 107 W CA -0.046 57.286 57.345 -0.021 0.000 1.501 107 W CB 0.240 29.683 29.460 -0.028 0.000 1.023 107 W HN 0.537 nan 8.180 nan 0.000 0.615 108 N N 2.308 121.125 118.700 0.194 0.000 2.412 108 N HA -0.051 4.689 4.740 -0.000 0.000 0.258 108 N C -1.774 173.802 175.510 0.111 0.000 1.236 108 N CA -0.312 52.813 53.050 0.125 0.000 0.882 108 N CB 1.477 40.019 38.487 0.092 0.000 1.066 108 N HN -0.141 nan 8.380 nan 0.000 0.465 109 P HA -0.081 nan 4.420 nan 0.000 0.216 109 P C 1.535 178.903 177.300 0.113 0.000 1.153 109 P CA 0.732 63.882 63.100 0.083 0.000 0.848 109 P CB 0.339 32.067 31.700 0.047 0.000 0.787 110 I N -0.661 119.960 120.570 0.084 0.000 2.252 110 I HA -0.144 4.026 4.170 -0.000 0.000 0.245 110 I C 1.931 178.103 176.117 0.092 0.000 1.102 110 I CA 1.801 63.143 61.300 0.070 0.000 1.385 110 I CB -1.985 36.049 38.000 0.058 0.000 1.064 110 I HN 0.018 nan 8.210 nan 0.000 0.414 111 T N 0.388 115.006 114.554 0.107 0.000 2.746 111 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 111 T C 1.883 176.656 174.700 0.123 0.000 1.039 111 T CA 1.405 63.584 62.100 0.131 0.000 1.142 111 T CB -0.669 68.254 68.868 0.090 0.000 0.866 111 T HN 0.298 nan 8.240 nan 0.000 0.444 112 Y N 1.932 122.216 120.300 -0.027 0.000 2.128 112 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 112 Y C 2.065 177.964 175.900 -0.001 0.000 1.154 112 Y CA 1.260 59.323 58.100 -0.061 0.000 1.149 112 Y CB -0.507 37.895 38.460 -0.097 0.000 0.976 112 Y HN 0.106 nan 8.280 nan 0.000 0.505 113 L N -0.219 121.055 121.223 0.086 0.000 2.046 113 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 113 L C 2.174 179.001 176.870 -0.071 0.000 1.077 113 L CA 1.798 56.634 54.840 -0.007 0.000 0.747 113 L CB -0.652 41.422 42.059 0.025 0.000 0.896 113 L HN 0.252 nan 8.230 nan 0.000 0.432 114 D N -0.923 119.472 120.400 -0.007 0.000 2.097 114 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 114 D C 2.194 178.475 176.300 -0.032 0.000 0.984 114 D CA 1.224 55.225 54.000 0.001 0.000 0.826 114 D CB 0.056 40.894 40.800 0.064 0.000 0.973 114 D HN 0.297 nan 8.370 nan 0.000 0.460 115 H N -0.230 118.755 119.070 -0.142 0.000 2.321 115 H HA -0.112 4.444 4.556 -0.000 0.000 0.300 115 H C 2.150 177.399 175.328 -0.132 0.000 1.087 115 H CA 1.189 57.155 56.048 -0.137 0.000 1.319 115 H CB -0.167 29.526 29.762 -0.116 0.000 1.379 115 H HN 0.283 nan 8.280 nan 0.000 0.501 116 N N 1.127 119.726 118.700 -0.169 0.000 2.069 116 N HA -0.185 4.555 4.740 -0.000 0.000 0.191 116 N C 1.824 177.241 175.510 -0.156 0.000 1.031 116 N CA 0.922 53.828 53.050 -0.240 0.000 0.852 116 N CB -0.220 38.006 38.487 -0.435 0.000 1.018 116 N HN 0.404 nan 8.380 nan 0.000 0.423 117 N N -0.134 118.482 118.700 -0.140 0.000 2.166 117 N HA -0.180 4.560 4.740 -0.000 0.000 0.186 117 N C 1.879 177.301 175.510 -0.147 0.000 1.019 117 N CA 0.707 53.680 53.050 -0.128 0.000 0.856 117 N CB -0.248 38.180 38.487 -0.098 0.000 0.993 117 N HN 0.239 nan 8.380 nan 0.000 0.426 118 F N 0.759 120.522 119.950 -0.313 0.000 2.051 118 F HA -0.130 4.396 4.527 -0.000 0.000 0.296 118 F C 1.732 177.245 175.800 -0.478 0.000 1.122 118 F CA 1.644 59.370 58.000 -0.457 0.000 1.201 118 F CB -0.971 37.610 39.000 -0.698 0.000 0.978 118 F HN 0.058 nan 8.300 nan 0.000 0.472 119 W N 0.666 121.502 121.300 -0.774 0.000 2.358 119 W HA -0.099 4.561 4.660 -0.000 0.000 0.303 119 W C 2.848 178.992 176.519 -0.624 0.000 1.208 119 W CA 1.553 58.353 57.345 -0.908 0.000 1.274 119 W CB -0.725 28.242 29.460 -0.821 0.000 1.138 119 W HN -0.052 nan 8.180 nan 0.000 0.515 120 R N 0.130 120.489 120.500 -0.236 0.000 2.091 120 R HA -0.163 4.177 4.340 -0.000 0.000 0.238 120 R C 1.930 178.094 176.300 -0.226 0.000 1.136 120 R CA 2.262 58.236 56.100 -0.210 0.000 0.959 120 R CB -0.664 29.525 30.300 -0.184 0.000 0.856 120 R HN 0.057 nan 8.270 nan 0.000 0.437 121 T N 1.208 115.605 114.554 -0.263 0.000 2.821 121 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 121 T C 1.835 176.371 174.700 -0.274 0.000 1.046 121 T CA 1.286 63.248 62.100 -0.230 0.000 1.139 121 T CB -0.046 68.709 68.868 -0.189 0.000 0.871 121 T HN 0.164 nan 8.240 nan 0.000 0.454 122 M N 1.748 121.111 119.600 -0.394 0.000 2.082 122 M HA -0.122 4.358 4.480 -0.000 0.000 0.258 122 M C 1.822 177.988 176.300 -0.224 0.000 1.069 122 M CA 1.561 56.660 55.300 -0.334 0.000 1.102 122 M CB -1.109 31.230 32.600 -0.435 0.000 1.336 122 M HN 0.197 nan 8.290 nan 0.000 0.404 123 D N 0.372 120.648 120.400 -0.206 0.000 2.149 123 D HA -0.115 4.525 4.640 -0.000 0.000 0.201 123 D C 1.611 177.838 176.300 -0.121 0.000 0.972 123 D CA 0.984 54.894 54.000 -0.150 0.000 0.835 123 D CB -0.301 40.416 40.800 -0.138 0.000 0.966 123 D HN 0.296 nan 8.370 nan 0.000 0.476 124 D N 0.491 120.817 120.400 -0.124 0.000 2.104 124 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 124 D C 2.223 178.507 176.300 -0.026 0.000 0.994 124 D CA 0.823 54.777 54.000 -0.077 0.000 0.830 124 D CB -0.264 40.489 40.800 -0.078 0.000 0.959 124 D HN 0.240 nan 8.370 nan 0.000 0.452 125 M N 0.181 119.737 119.600 -0.074 0.000 2.117 125 M HA -0.062 4.418 4.480 -0.000 0.000 0.262 125 M C 2.348 178.692 176.300 0.074 0.000 1.065 125 M CA 1.708 56.979 55.300 -0.048 0.000 1.114 125 M CB -0.499 31.805 32.600 -0.493 0.000 1.361 125 M HN 0.032 nan 8.290 nan 0.000 0.408 126 G N 0.156 108.937 108.800 -0.032 0.000 2.432 126 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 126 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 126 G C 1.613 176.514 174.900 0.002 0.000 1.135 126 G CA 0.529 45.618 45.100 -0.018 0.000 0.767 126 G HN 0.409 nan 8.290 nan 0.000 0.550 127 R N 0.159 120.655 120.500 -0.007 0.000 2.241 127 R HA -0.008 4.332 4.340 -0.000 0.000 0.224 127 R C 1.548 177.856 176.300 0.012 0.000 1.101 127 R CA 0.847 56.937 56.100 -0.016 0.000 0.995 127 R CB 0.062 30.345 30.300 -0.029 0.000 0.870 127 R HN 0.273 nan 8.270 nan 0.000 0.463 128 E N 0.227 120.473 120.200 0.077 0.000 2.479 128 E HA 0.100 4.450 4.350 -0.000 0.000 0.193 128 E C 0.023 176.651 176.600 0.047 0.000 1.049 128 E CA 0.309 56.746 56.400 0.063 0.000 0.870 128 E CB 0.436 30.196 29.700 0.100 0.000 0.944 128 E HN 0.321 nan 8.360 nan 0.000 0.492 129 I N 2.690 123.303 120.570 0.072 0.000 2.359 129 I HA 0.213 4.383 4.170 -0.000 0.000 0.284 129 I C -2.434 173.686 176.117 0.004 0.000 1.018 129 I CA -2.369 58.971 61.300 0.065 0.000 1.173 129 I CB 1.516 39.621 38.000 0.175 0.000 1.326 129 I HN -0.343 nan 8.210 nan 0.000 0.462 130 P HA 0.113 nan 4.420 nan 0.000 0.267 130 P C 0.518 177.787 177.300 -0.052 0.000 1.205 130 P CA 0.195 63.228 63.100 -0.113 0.000 0.765 130 P CB 0.915 32.493 31.700 -0.203 0.000 0.828 131 S N 2.145 117.833 115.700 -0.021 0.000 2.370 131 S HA -0.169 4.301 4.470 -0.000 0.000 0.226 131 S C 1.286 175.984 174.600 0.163 0.000 1.033 131 S CA 1.836 60.102 58.200 0.110 0.000 1.011 131 S CB -0.598 62.579 63.200 -0.040 0.000 0.852 131 S HN 0.681 nan 8.310 nan 0.000 0.457 132 D N 0.471 120.823 120.400 -0.080 0.000 2.340 132 D HA 0.255 4.895 4.640 -0.000 0.000 0.220 132 D C 0.270 176.346 176.300 -0.374 0.000 1.039 132 D CA 0.365 54.270 54.000 -0.157 0.000 0.866 132 D CB 0.072 40.716 40.800 -0.260 0.000 0.913 132 D HN 0.277 nan 8.370 nan 0.000 0.523 133 A N 1.129 123.569 122.820 -0.634 0.000 3.330 133 A HA 0.334 4.654 4.320 -0.000 0.000 0.256 133 A C -2.153 174.652 177.584 -1.298 0.000 1.185 133 A CA -0.752 50.437 52.037 -1.414 0.000 0.940 133 A CB 0.821 19.285 19.000 -0.894 0.000 1.397 133 A HN -0.092 nan 8.150 nan 0.000 0.678 134 P HA -0.174 nan 4.420 nan 0.000 0.219 134 P C 1.267 178.358 177.300 -0.348 0.000 1.146 134 P CA 1.477 64.264 63.100 -0.522 0.000 0.808 134 P CB -0.344 31.034 31.700 -0.538 0.000 0.779 135 W N 0.995 122.222 121.300 -0.121 0.000 2.632 135 W HA 0.080 4.740 4.660 -0.000 0.000 0.248 135 W C 1.296 177.772 176.519 -0.073 0.000 1.259 135 W CA 0.419 57.714 57.345 -0.084 0.000 1.288 135 W CB -1.472 27.934 29.460 -0.090 0.000 1.136 135 W HN -0.096 nan 8.180 nan 0.000 0.640 136 K N 0.767 120.982 120.400 -0.309 0.000 2.404 136 K HA 0.320 4.640 4.320 -0.000 0.000 0.194 136 K C 0.999 177.510 176.600 -0.148 0.000 1.023 136 K CA 0.154 56.340 56.287 -0.169 0.000 1.094 136 K CB 0.009 32.373 32.500 -0.226 0.000 0.841 136 K HN 0.097 nan 8.250 nan 0.000 0.523 137 A N 2.343 125.073 122.820 -0.150 0.000 2.531 137 A HA 0.077 4.397 4.320 -0.000 0.000 0.236 137 A C -1.625 175.833 177.584 -0.210 0.000 1.062 137 A CA -0.972 50.970 52.037 -0.158 0.000 0.760 137 A CB 0.081 19.007 19.000 -0.123 0.000 0.995 137 A HN -0.007 nan 8.150 nan 0.000 0.501 138 P HA -0.134 nan 4.420 nan 0.000 0.216 138 P C 0.520 177.628 177.300 -0.319 0.000 1.150 138 P CA 1.251 64.213 63.100 -0.230 0.000 0.843 138 P CB 0.034 31.610 31.700 -0.206 0.000 0.787 139 L N -2.129 118.747 121.223 -0.579 0.000 2.984 139 L HA 0.352 4.692 4.340 -0.000 0.000 0.246 139 L C 1.865 178.357 176.870 -0.630 0.000 1.268 139 L CA -0.301 54.104 54.840 -0.726 0.000 1.054 139 L CB -0.550 40.794 42.059 -1.192 0.000 1.393 139 L HN -0.102 nan 8.230 nan 0.000 0.532 140 A N 0.586 123.210 122.820 -0.327 0.000 1.892 140 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 140 A C 2.203 179.788 177.584 0.002 0.000 1.188 140 A CA 1.806 53.785 52.037 -0.098 0.000 0.631 140 A CB -0.171 18.818 19.000 -0.018 0.000 0.822 140 A HN 0.519 nan 8.150 nan 0.000 0.447 141 E N -0.968 119.217 120.200 -0.025 0.000 2.047 141 E HA -0.216 4.134 4.350 -0.000 0.000 0.191 141 E C 2.141 178.776 176.600 0.058 0.000 0.987 141 E CA 1.158 57.575 56.400 0.027 0.000 0.799 141 E CB -0.236 29.467 29.700 0.005 0.000 0.752 141 E HN 0.832 nan 8.360 nan 0.000 0.449 142 E N 0.194 120.399 120.200 0.008 0.000 2.070 142 E HA -0.213 4.137 4.350 -0.000 0.000 0.197 142 E C 1.725 178.486 176.600 0.268 0.000 1.004 142 E CA 1.357 57.808 56.400 0.084 0.000 0.805 142 E CB -0.020 29.688 29.700 0.013 0.000 0.744 142 E HN 0.286 nan 8.360 nan 0.000 0.451 143 W N 0.836 122.177 121.300 0.068 0.000 2.476 143 W HA 0.003 4.663 4.660 -0.000 0.000 0.281 143 W C 1.907 178.496 176.519 0.116 0.000 1.230 143 W CA 0.660 58.058 57.345 0.087 0.000 1.287 143 W CB -0.955 28.557 29.460 0.088 0.000 1.108 143 W HN 0.226 nan 8.180 nan 0.000 0.567 144 D N -0.241 120.355 120.400 0.326 0.000 2.269 144 D HA -0.120 4.520 4.640 -0.000 0.000 0.208 144 D C 1.239 177.665 176.300 0.210 0.000 0.963 144 D CA 0.922 55.080 54.000 0.263 0.000 0.864 144 D CB -0.194 40.736 40.800 0.217 0.000 0.936 144 D HN -0.119 nan 8.370 nan 0.000 0.505 145 N N -0.386 118.422 118.700 0.180 0.000 2.383 145 N HA 0.108 4.848 4.740 -0.000 0.000 0.192 145 N C -0.231 175.357 175.510 0.130 0.000 1.141 145 N CA 0.118 53.250 53.050 0.136 0.000 0.851 145 N CB 0.279 38.829 38.487 0.106 0.000 0.976 145 N HN 0.305 nan 8.380 nan 0.000 0.465 146 M N 0.219 119.912 119.600 0.155 0.000 2.464 146 M HA 0.220 4.700 4.480 -0.000 0.000 0.308 146 M C -0.268 176.109 176.300 0.128 0.000 1.127 146 M CA -0.587 54.789 55.300 0.127 0.000 0.913 146 M CB 1.889 34.572 32.600 0.139 0.000 1.689 146 M HN 0.011 nan 8.290 nan 0.000 0.445 147 T N 0.411 115.021 114.554 0.094 0.000 2.874 147 T HA 0.246 4.596 4.350 -0.000 0.000 0.281 147 T C 1.125 175.852 174.700 0.045 0.000 0.994 147 T CA -0.852 61.298 62.100 0.084 0.000 1.015 147 T CB 0.880 69.790 68.868 0.070 0.000 1.028 147 T HN 0.683 nan 8.240 nan 0.000 0.523 148 M N 0.258 119.864 119.600 0.011 0.000 2.279 148 M HA -0.006 4.474 4.480 -0.000 0.000 0.264 148 M C 2.139 178.388 176.300 -0.085 0.000 1.062 148 M CA 1.538 56.797 55.300 -0.068 0.000 1.099 148 M CB -1.379 31.092 32.600 -0.215 0.000 1.394 148 M HN 0.879 nan 8.290 nan 0.000 0.426 149 K N 0.813 121.177 120.400 -0.060 0.000 2.032 149 K HA -0.171 4.148 4.320 -0.000 0.000 0.209 149 K C 1.686 178.258 176.600 -0.047 0.000 1.048 149 K CA 1.748 58.006 56.287 -0.049 0.000 0.927 149 K CB -0.046 32.462 32.500 0.013 0.000 0.712 149 K HN 0.385 nan 8.250 nan 0.000 0.441 150 E N 0.227 120.415 120.200 -0.021 0.000 2.058 150 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 150 E C 2.022 178.601 176.600 -0.034 0.000 0.997 150 E CA 1.294 57.681 56.400 -0.021 0.000 0.801 150 E CB -0.243 29.462 29.700 0.009 0.000 0.746 150 E HN 0.214 nan 8.360 nan 0.000 0.450 151 L N 1.220 122.424 121.223 -0.032 0.000 2.012 151 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 151 L C 2.104 178.938 176.870 -0.060 0.000 1.073 151 L CA 1.618 56.430 54.840 -0.047 0.000 0.748 151 L CB -0.393 41.630 42.059 -0.061 0.000 0.891 151 L HN 0.132 nan 8.230 nan 0.000 0.431 152 L N -0.911 120.262 121.223 -0.084 0.000 2.083 152 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 152 L C 2.231 179.017 176.870 -0.141 0.000 1.083 152 L CA 1.260 56.021 54.840 -0.131 0.000 0.752 152 L CB -0.912 41.032 42.059 -0.193 0.000 0.899 152 L HN 0.281 nan 8.230 nan 0.000 0.433 153 D N 0.168 120.494 120.400 -0.124 0.000 2.149 153 D HA -0.196 4.444 4.640 -0.000 0.000 0.198 153 D C 2.142 178.344 176.300 -0.163 0.000 0.990 153 D CA 1.218 55.133 54.000 -0.141 0.000 0.839 153 D CB 0.048 40.780 40.800 -0.114 0.000 0.948 153 D HN 0.217 nan 8.370 nan 0.000 0.460 154 K N -0.052 120.280 120.400 -0.113 0.000 2.031 154 K HA 0.039 4.359 4.320 -0.000 0.000 0.205 154 K C 2.201 178.770 176.600 -0.052 0.000 1.049 154 K CA 0.438 56.670 56.287 -0.091 0.000 0.939 154 K CB 0.006 32.487 32.500 -0.032 0.000 0.717 154 K HN 0.048 nan 8.250 nan 0.000 0.438 155 L N 0.256 121.468 121.223 -0.019 0.000 2.131 155 L HA -0.019 4.320 4.340 -0.000 0.000 0.206 155 L C 0.322 177.265 176.870 0.121 0.000 1.087 155 L CA 0.144 55.025 54.840 0.067 0.000 0.767 155 L CB 0.317 42.402 42.059 0.044 0.000 0.917 155 L HN 0.208 nan 8.230 nan 0.000 0.441 156 C N -0.309 118.975 119.300 -0.027 0.000 2.281 156 C HA 0.080 4.540 4.460 -0.000 0.000 0.336 156 C C 0.825 175.805 174.990 -0.016 0.000 1.217 156 C CA -0.988 58.002 59.018 -0.047 0.000 1.730 156 C CB -0.953 26.654 27.740 -0.223 0.000 2.338 156 C HN 0.486 nan 8.230 nan 0.000 0.521 157 W N 1.938 123.180 121.300 -0.096 0.000 3.047 157 W HA 0.108 4.768 4.660 -0.000 0.000 0.250 157 W C 1.473 177.960 176.519 -0.054 0.000 1.314 157 W CA 0.195 57.503 57.345 -0.062 0.000 1.540 157 W CB -0.159 29.277 29.460 -0.040 0.000 1.127 157 W HN 0.662 nan 8.180 nan 0.000 0.679 158 T N -3.600 111.016 114.554 0.103 0.000 2.887 158 T HA 0.295 4.645 4.350 -0.000 0.000 0.288 158 T C 0.809 175.495 174.700 -0.024 0.000 1.021 158 T CA -0.645 61.486 62.100 0.052 0.000 1.000 158 T CB 2.608 71.529 68.868 0.088 0.000 1.034 158 T HN -0.227 nan 8.240 nan 0.000 0.467 159 E N 1.089 121.281 120.200 -0.014 0.000 2.150 159 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 159 E C 2.120 178.703 176.600 -0.028 0.000 0.985 159 E CA 1.133 57.512 56.400 -0.035 0.000 0.814 159 E CB -0.352 29.339 29.700 -0.015 0.000 0.752 159 E HN 0.738 nan 8.360 nan 0.000 0.466 160 S N 0.576 116.294 115.700 0.030 0.000 2.353 160 S HA -0.201 4.269 4.470 -0.000 0.000 0.222 160 S C 2.087 176.689 174.600 0.004 0.000 1.035 160 S CA 1.688 59.955 58.200 0.111 0.000 1.025 160 S CB -0.115 63.226 63.200 0.234 0.000 0.902 160 S HN 0.305 nan 8.310 nan 0.000 0.440 161 A N 1.148 123.839 122.820 -0.215 0.000 1.902 161 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 161 A C 2.193 179.408 177.584 -0.615 0.000 1.181 161 A CA 1.808 53.390 52.037 -0.758 0.000 0.623 161 A CB -0.706 17.892 19.000 -0.671 0.000 0.818 161 A HN 0.642 nan 8.150 nan 0.000 0.443 162 K N -0.550 119.618 120.400 -0.386 0.000 2.097 162 K HA -0.187 4.133 4.320 -0.000 0.000 0.205 162 K C 2.235 178.670 176.600 -0.276 0.000 1.050 162 K CA 1.586 57.658 56.287 -0.357 0.000 0.938 162 K CB -0.168 32.193 32.500 -0.231 0.000 0.718 162 K HN 0.638 nan 8.250 nan 0.000 0.442 163 Q N 0.340 120.042 119.800 -0.163 0.000 2.050 163 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 163 Q C 2.095 178.069 176.000 -0.043 0.000 0.980 163 Q CA 1.397 57.164 55.803 -0.061 0.000 0.840 163 Q CB -0.104 28.647 28.738 0.021 0.000 0.898 163 Q HN 0.207 nan 8.270 nan 0.000 0.424 164 L N 0.461 121.634 121.223 -0.083 0.000 2.056 164 L HA -0.060 4.279 4.340 -0.000 0.000 0.207 164 L C 2.120 178.885 176.870 -0.176 0.000 1.078 164 L CA 1.963 56.785 54.840 -0.030 0.000 0.749 164 L CB -0.830 41.242 42.059 0.020 0.000 0.901 164 L HN 0.137 nan 8.230 nan 0.000 0.433 165 A N -1.598 120.879 122.820 -0.572 0.000 1.940 165 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 165 A C 2.261 179.689 177.584 -0.261 0.000 1.176 165 A CA 2.330 53.899 52.037 -0.780 0.000 0.631 165 A CB -1.176 16.908 19.000 -1.526 0.000 0.814 165 A HN 0.508 nan 8.150 nan 0.000 0.446 166 T N 0.011 114.435 114.554 -0.217 0.000 2.737 166 T HA -0.101 4.249 4.350 -0.000 0.000 0.265 166 T C 1.872 176.565 174.700 -0.012 0.000 1.038 166 T CA 1.316 63.345 62.100 -0.118 0.000 1.144 166 T CB -0.385 68.426 68.868 -0.094 0.000 0.866 166 T HN 0.414 nan 8.240 nan 0.000 0.434 167 L N 0.213 121.477 121.223 0.069 0.000 2.012 167 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 167 L C 2.241 179.251 176.870 0.234 0.000 1.073 167 L CA 1.558 56.501 54.840 0.172 0.000 0.748 167 L CB -0.413 41.798 42.059 0.252 0.000 0.891 167 L HN 0.203 nan 8.230 nan 0.000 0.431 168 F N -0.166 119.854 119.950 0.117 0.000 2.091 168 F HA -0.264 4.263 4.527 -0.000 0.000 0.299 168 F C 2.111 178.040 175.800 0.215 0.000 1.103 168 F CA 2.188 60.317 58.000 0.216 0.000 1.228 168 F CB -0.627 38.506 39.000 0.221 0.000 0.984 168 F HN -0.109 nan 8.300 nan 0.000 0.477 169 V N 0.921 120.812 119.914 -0.037 0.000 2.261 169 V HA -0.359 3.761 4.120 -0.000 0.000 0.246 169 V C 2.040 178.036 176.094 -0.165 0.000 1.047 169 V CA 2.458 64.567 62.300 -0.319 0.000 1.015 169 V CB -1.075 30.407 31.823 -0.568 0.000 0.642 169 V HN 0.412 nan 8.190 nan 0.000 0.446 170 N N 0.104 118.744 118.700 -0.099 0.000 2.094 170 N HA -0.227 4.513 4.740 -0.000 0.000 0.191 170 N C 1.763 177.241 175.510 -0.053 0.000 1.023 170 N CA 1.393 54.401 53.050 -0.071 0.000 0.857 170 N CB -0.231 38.256 38.487 0.000 0.000 1.013 170 N HN 0.335 nan 8.380 nan 0.000 0.426 171 L N 0.823 122.057 121.223 0.018 0.000 2.072 171 L HA -0.025 4.315 4.340 -0.000 0.000 0.205 171 L C 2.071 178.975 176.870 0.056 0.000 1.079 171 L CA 1.437 56.308 54.840 0.051 0.000 0.752 171 L CB -0.558 41.567 42.059 0.111 0.000 0.906 171 L HN 0.225 nan 8.230 nan 0.000 0.436 172 C N -1.315 117.987 119.300 0.002 0.000 2.446 172 C HA -0.035 4.425 4.460 -0.000 0.000 0.277 172 C C 2.194 177.244 174.990 0.099 0.000 1.275 172 C CA 1.004 60.069 59.018 0.078 0.000 1.727 172 C CB -0.581 27.127 27.740 -0.052 0.000 2.010 172 C HN 0.565 nan 8.230 nan 0.000 0.486 173 V N -1.891 117.995 119.914 -0.046 0.000 3.199 173 V HA 0.303 4.423 4.120 -0.000 0.000 0.331 173 V C 0.741 176.684 176.094 -0.252 0.000 1.446 173 V CA 0.744 62.974 62.300 -0.116 0.000 1.120 173 V CB -1.335 30.554 31.823 0.110 0.000 1.051 173 V HN 0.538 nan 8.190 nan 0.000 0.495 174 T N -1.424 112.893 114.554 -0.395 0.000 3.760 174 T HA -0.103 4.247 4.350 -0.000 0.000 0.366 174 T C 0.189 174.725 174.700 -0.274 0.000 0.761 174 T CA 1.369 63.236 62.100 -0.389 0.000 1.887 174 T CB -2.524 65.992 68.868 -0.588 0.000 1.811 174 T HN 2.426 nan 8.240 nan 0.000 0.749 175 A N -0.315 122.333 122.820 -0.287 0.000 2.594 175 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 175 A C -0.381 176.996 177.584 -0.346 0.000 1.105 175 A CA -1.069 50.724 52.037 -0.406 0.000 0.694 175 A CB 1.237 19.760 19.000 -0.794 0.000 1.291 175 A HN 0.338 nan 8.150 nan 0.000 0.410 176 E N 0.556 120.508 120.200 -0.413 0.000 2.373 176 E HA 0.228 4.578 4.350 -0.000 0.000 0.263 176 E C 1.251 177.553 176.600 -0.497 0.000 1.073 176 E CA 0.547 56.672 56.400 -0.458 0.000 0.894 176 E CB 0.880 30.129 29.700 -0.753 0.000 1.008 176 E HN 0.804 nan 8.360 nan 0.000 0.420 177 T N -1.220 113.112 114.554 -0.370 0.000 2.833 177 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 177 T C 1.453 176.029 174.700 -0.207 0.000 1.054 177 T CA 1.693 63.627 62.100 -0.275 0.000 1.135 177 T CB -0.389 68.363 68.868 -0.194 0.000 0.869 177 T HN 0.627 nan 8.240 nan 0.000 0.466 178 H N 0.637 119.649 119.070 -0.097 0.000 2.547 178 H HA 0.245 4.801 4.556 -0.000 0.000 0.272 178 H C 1.519 176.820 175.328 -0.044 0.000 0.989 178 H CA 0.830 56.840 56.048 -0.062 0.000 1.214 178 H CB -0.211 29.515 29.762 -0.061 0.000 1.389 178 H HN 0.506 nan 8.280 nan 0.000 0.577 179 E N 1.400 121.406 120.200 -0.323 0.000 2.230 179 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 179 E C 0.817 177.393 176.600 -0.041 0.000 0.987 179 E CA 0.527 56.825 56.400 -0.169 0.000 0.841 179 E CB 0.709 30.167 29.700 -0.403 0.000 0.783 179 E HN 0.366 nan 8.360 nan 0.000 0.481 180 V N -1.084 118.798 119.914 -0.052 0.000 2.667 180 V HA 0.415 4.535 4.120 -0.000 0.000 0.308 180 V C -0.024 176.214 176.094 0.239 0.000 1.048 180 V CA -1.177 61.205 62.300 0.137 0.000 0.928 180 V CB 1.860 33.812 31.823 0.214 0.000 1.004 180 V HN -0.035 nan 8.190 nan 0.000 0.444 181 S N 3.332 119.248 115.700 0.361 0.000 2.549 181 S HA 0.431 4.901 4.470 -0.000 0.000 0.286 181 S C 1.458 176.307 174.600 0.414 0.000 1.314 181 S CA 0.202 58.624 58.200 0.370 0.000 1.062 181 S CB 0.916 64.369 63.200 0.421 0.000 0.865 181 S HN 1.766 nan 8.310 nan 0.000 0.498 182 A N 4.991 127.984 122.820 0.289 0.000 1.877 182 A HA -0.042 4.278 4.320 -0.000 0.000 0.216 182 A C 2.032 179.792 177.584 0.293 0.000 1.186 182 A CA 1.659 53.838 52.037 0.237 0.000 0.620 182 A CB -0.965 18.099 19.000 0.107 0.000 0.822 182 A HN 0.956 nan 8.150 nan 0.000 0.443 183 L N -1.427 120.013 121.223 0.362 0.000 1.989 183 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 183 L C 2.254 179.361 176.870 0.394 0.000 1.071 183 L CA 2.642 57.727 54.840 0.408 0.000 0.749 183 L CB -0.806 41.493 42.059 0.401 0.000 0.890 183 L HN 0.666 nan 8.230 nan 0.000 0.431 184 W N -0.551 120.915 121.300 0.277 0.000 2.355 184 W HA -0.300 4.360 4.660 -0.000 0.000 0.309 184 W C 2.381 179.167 176.519 0.446 0.000 1.206 184 W CA 2.037 59.565 57.345 0.306 0.000 1.284 184 W CB -0.712 28.907 29.460 0.265 0.000 1.145 184 W HN 0.299 nan 8.180 nan 0.000 0.502 185 F N 0.746 120.764 119.950 0.114 0.000 2.134 185 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 185 F C 2.101 177.825 175.800 -0.127 0.000 1.097 185 F CA 2.227 60.103 58.000 -0.207 0.000 1.264 185 F CB -0.678 38.334 39.000 0.021 0.000 1.001 185 F HN -0.163 nan 8.300 nan 0.000 0.479 186 L N -1.272 119.973 121.223 0.038 0.000 2.083 186 L HA -0.212 4.128 4.340 -0.000 0.000 0.209 186 L C 2.298 179.103 176.870 -0.108 0.000 1.083 186 L CA 1.631 56.434 54.840 -0.062 0.000 0.752 186 L CB -1.042 41.007 42.059 -0.017 0.000 0.899 186 L HN 0.448 nan 8.230 nan 0.000 0.433 187 W N 0.091 121.276 121.300 -0.192 0.000 2.335 187 W HA -0.320 4.340 4.660 -0.000 0.000 0.311 187 W C 2.625 178.944 176.519 -0.334 0.000 1.213 187 W CA 1.625 58.839 57.345 -0.219 0.000 1.274 187 W CB -0.612 28.750 29.460 -0.164 0.000 1.148 187 W HN 0.117 nan 8.180 nan 0.000 0.498 188 Y N 0.589 120.448 120.300 -0.734 0.000 2.128 188 Y HA -0.289 4.260 4.550 -0.000 0.000 0.284 188 Y C 2.398 177.765 175.900 -0.889 0.000 1.154 188 Y CA 3.022 60.487 58.100 -1.058 0.000 1.149 188 Y CB -0.841 36.949 38.460 -1.117 0.000 0.976 188 Y HN -0.142 nan 8.280 nan 0.000 0.505 189 V N 0.904 120.417 119.914 -0.668 0.000 2.295 189 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 189 V C 2.332 178.119 176.094 -0.513 0.000 1.049 189 V CA 2.276 64.266 62.300 -0.517 0.000 1.024 189 V CB -0.861 30.755 31.823 -0.344 0.000 0.648 189 V HN 0.384 nan 8.190 nan 0.000 0.447 190 K N 2.291 122.409 120.400 -0.470 0.000 2.063 190 K HA -0.271 4.049 4.320 -0.000 0.000 0.208 190 K C 1.940 178.227 176.600 -0.522 0.000 1.048 190 K CA 2.410 58.456 56.287 -0.402 0.000 0.928 190 K CB -0.682 31.655 32.500 -0.272 0.000 0.713 190 K HN 0.627 nan 8.250 nan 0.000 0.442 191 Q N -0.793 118.548 119.800 -0.766 0.000 2.482 191 Q HA 0.080 4.420 4.340 -0.000 0.000 0.209 191 Q C 1.116 176.615 176.000 -0.835 0.000 0.961 191 Q CA 1.050 56.401 55.803 -0.752 0.000 0.945 191 Q CB -0.508 27.625 28.738 -1.009 0.000 1.012 191 Q HN 0.314 nan 8.270 nan 0.000 0.515 192 C N 0.130 118.791 119.300 -1.065 0.000 2.754 192 C HA 0.614 5.074 4.460 -0.000 0.000 0.276 192 C C 1.536 175.807 174.990 -1.199 0.000 1.264 192 C CA 0.152 58.151 59.018 -1.699 0.000 1.700 192 C CB -0.863 25.877 27.740 -1.667 0.000 1.885 192 C HN 0.828 nan 8.230 nan 0.000 0.607 193 G N 0.131 108.548 108.800 -0.637 0.000 2.159 193 G HA2 0.289 4.248 3.960 -0.000 0.000 0.227 193 G HA3 0.289 4.248 3.960 -0.000 0.000 0.227 193 G C 0.464 175.218 174.900 -0.244 0.000 0.986 193 G CA 0.028 44.923 45.100 -0.341 0.000 0.651 193 G HN 1.641 nan 8.290 nan 0.000 0.523 194 G N -2.107 106.531 108.800 -0.270 0.000 2.592 194 G HA2 0.333 4.293 3.960 -0.000 0.000 0.684 194 G HA3 0.333 4.293 3.960 -0.000 0.000 0.684 194 G C 0.991 175.863 174.900 -0.047 0.000 1.291 194 G CA 0.964 45.971 45.100 -0.153 0.000 0.891 194 G HN 1.821 nan 8.290 nan 0.000 0.544 195 T N -2.957 111.610 114.554 0.022 0.000 2.708 195 T HA -0.085 4.265 4.350 -0.000 0.000 0.266 195 T C 2.355 177.185 174.700 0.218 0.000 1.037 195 T CA 2.893 65.087 62.100 0.155 0.000 1.146 195 T CB -0.803 68.116 68.868 0.084 0.000 0.865 195 T HN 0.932 nan 8.240 nan 0.000 0.435 196 T N 1.415 116.064 114.554 0.158 0.000 2.708 196 T HA -0.046 4.304 4.350 -0.000 0.000 0.266 196 T C 2.128 176.875 174.700 0.079 0.000 1.037 196 T CA 1.550 63.742 62.100 0.155 0.000 1.146 196 T CB -0.324 68.615 68.868 0.119 0.000 0.865 196 T HN 0.303 nan 8.240 nan 0.000 0.435 197 R N 0.948 121.480 120.500 0.054 0.000 2.073 197 R HA 0.111 4.451 4.340 -0.000 0.000 0.234 197 R C 2.234 178.611 176.300 0.129 0.000 1.134 197 R CA 1.267 57.405 56.100 0.064 0.000 0.952 197 R CB -0.896 29.412 30.300 0.013 0.000 0.850 197 R HN 0.455 nan 8.270 nan 0.000 0.433 198 I N -0.674 119.956 120.570 0.100 0.000 2.394 198 I HA -0.188 3.982 4.170 -0.000 0.000 0.251 198 I C 1.318 177.612 176.117 0.295 0.000 1.136 198 I CA 1.047 62.458 61.300 0.185 0.000 1.425 198 I CB 0.007 38.072 38.000 0.108 0.000 1.079 198 I HN 0.211 nan 8.210 nan 0.000 0.425 199 F N 0.555 120.575 119.950 0.117 0.000 2.698 199 F HA 0.212 4.739 4.527 -0.000 0.000 0.295 199 F C 1.388 177.120 175.800 -0.112 0.000 1.124 199 F CA -0.121 57.907 58.000 0.048 0.000 1.426 199 F CB 0.083 39.086 39.000 0.004 0.000 1.120 199 F HN -0.167 nan 8.300 nan 0.000 0.583 200 S N 0.016 115.650 115.700 -0.110 0.000 2.584 200 S HA 0.194 4.664 4.470 -0.000 0.000 0.273 200 S C 1.082 175.577 174.600 -0.174 0.000 1.311 200 S CA -0.157 57.928 58.200 -0.192 0.000 1.034 200 S CB 1.640 64.771 63.200 -0.116 0.000 0.939 200 S HN 0.187 nan 8.310 nan 0.000 0.513 201 T N 2.089 116.529 114.554 -0.189 0.000 2.896 201 T HA 0.029 4.379 4.350 -0.000 0.000 0.238 201 T C 0.593 175.220 174.700 -0.120 0.000 1.045 201 T CA 0.638 62.639 62.100 -0.166 0.000 1.248 201 T CB -0.341 68.425 68.868 -0.170 0.000 0.955 201 T HN 0.608 nan 8.240 nan 0.000 0.416 202 T N 3.605 118.098 114.554 -0.102 0.000 2.831 202 T HA 0.113 4.463 4.350 -0.000 0.000 0.291 202 T C 0.697 175.360 174.700 -0.062 0.000 0.981 202 T CA 0.347 62.404 62.100 -0.072 0.000 1.174 202 T CB -0.137 68.697 68.868 -0.057 0.000 0.929 202 T HN 0.501 nan 8.240 nan 0.000 0.532 203 N N 0.798 119.468 118.700 -0.050 0.000 2.800 203 N HA -0.146 4.593 4.740 -0.000 0.000 0.250 203 N C 0.168 175.667 175.510 -0.019 0.000 1.078 203 N CA 1.456 54.488 53.050 -0.031 0.000 0.804 203 N CB -1.063 37.413 38.487 -0.018 0.000 1.135 203 N HN 0.951 nan 8.380 nan 0.000 0.565 204 G N -3.103 105.674 108.800 -0.038 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 0.977 175.852 174.900 -0.042 0.000 1.334 204 G CA -0.003 45.100 45.100 0.004 0.000 0.843 204 G HN 0.288 nan 8.290 nan 0.000 0.548 205 G N -0.887 107.929 108.800 0.027 0.000 2.479 205 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.220 205 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.220 205 G C 1.195 176.020 174.900 -0.124 0.000 1.115 205 G CA 0.993 46.020 45.100 -0.121 0.000 0.757 205 G HN 0.405 nan 8.290 nan 0.000 0.560 206 Q N -0.399 119.315 119.800 -0.143 0.000 2.204 206 Q HA 0.269 4.609 4.340 -0.000 0.000 0.209 206 Q C 1.687 177.577 176.000 -0.183 0.000 0.861 206 Q CA -0.102 55.543 55.803 -0.262 0.000 0.971 206 Q CB 0.677 29.147 28.738 -0.445 0.000 1.095 206 Q HN 0.640 nan 8.270 nan 0.000 0.486 207 E N 0.471 120.586 120.200 -0.142 0.000 2.110 207 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 207 E C -0.040 176.477 176.600 -0.137 0.000 0.988 207 E CA 0.781 57.103 56.400 -0.129 0.000 0.804 207 E CB 0.430 30.056 29.700 -0.123 0.000 0.745 207 E HN 0.155 nan 8.360 nan 0.000 0.458 208 R N -0.832 119.569 120.500 -0.166 0.000 2.836 208 R HA 0.442 4.782 4.340 -0.000 0.000 0.269 208 R C -0.973 175.105 176.300 -0.369 0.000 1.010 208 R CA -0.770 55.152 56.100 -0.296 0.000 0.930 208 R CB 2.030 32.137 30.300 -0.321 0.000 1.218 208 R HN -0.154 nan 8.270 nan 0.000 0.473 209 K N 0.851 120.871 120.400 -0.634 0.000 2.433 209 K HA 0.424 4.744 4.320 -0.000 0.000 0.252 209 K C -0.989 175.301 176.600 -0.517 0.000 1.015 209 K CA -0.786 55.145 56.287 -0.592 0.000 0.860 209 K CB 1.577 33.790 32.500 -0.478 0.000 1.359 209 K HN 0.241 nan 8.250 nan 0.000 0.452 210 F N 1.123 121.018 119.950 -0.092 0.000 2.427 210 F HA 0.115 4.642 4.527 -0.000 0.000 0.352 210 F C 0.619 176.478 175.800 0.100 0.000 1.100 210 F CA -0.949 57.044 58.000 -0.012 0.000 1.191 210 F CB 0.993 39.960 39.000 -0.056 0.000 1.128 210 F HN 0.024 nan 8.300 nan 0.000 0.533 211 V N 3.888 124.008 119.914 0.343 0.000 2.493 211 V HA 0.181 4.301 4.120 -0.000 0.000 0.292 211 V C 0.981 176.979 176.094 -0.160 0.000 1.016 211 V CA 1.286 63.702 62.300 0.193 0.000 1.097 211 V CB 0.095 32.006 31.823 0.147 0.000 0.947 211 V HN 1.115 nan 8.190 nan 0.000 0.479 212 G N 3.296 111.615 108.800 -0.800 0.000 2.199 212 G HA2 0.123 4.083 3.960 -0.000 0.000 0.254 212 G HA3 0.123 4.083 3.960 -0.000 0.000 0.254 212 G C 0.815 175.204 174.900 -0.853 0.000 0.982 212 G CA -0.018 44.319 45.100 -1.272 0.000 0.632 212 G HN 2.456 nan 8.290 nan 0.000 0.529 213 G N -1.552 107.036 108.800 -0.353 0.000 2.650 213 G HA2 0.368 4.328 3.960 -0.000 0.000 0.686 213 G HA3 0.368 4.328 3.960 -0.000 0.000 0.686 213 G C 0.806 175.714 174.900 0.013 0.000 1.205 213 G CA 0.837 45.917 45.100 -0.033 0.000 0.781 213 G HN 1.873 nan 8.290 nan 0.000 0.648 214 S N -0.076 115.685 115.700 0.101 0.000 2.453 214 S HA 0.137 4.607 4.470 -0.000 0.000 0.231 214 S C 2.524 177.105 174.600 -0.031 0.000 1.005 214 S CA 1.612 59.862 58.200 0.083 0.000 0.949 214 S CB -0.014 63.301 63.200 0.191 0.000 0.774 214 S HN 2.167 nan 8.310 nan 0.000 0.510 215 G N 1.397 110.192 108.800 -0.009 0.000 2.479 215 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.220 215 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.220 215 G C 1.441 176.310 174.900 -0.052 0.000 1.115 215 G CA 0.627 45.726 45.100 -0.002 0.000 0.757 215 G HN 0.629 nan 8.290 nan 0.000 0.560 216 Q N -0.244 119.490 119.800 -0.109 0.000 2.226 216 Q HA -0.059 4.281 4.340 -0.000 0.000 0.204 216 Q C 2.739 178.643 176.000 -0.159 0.000 0.975 216 Q CA 0.985 56.705 55.803 -0.139 0.000 0.866 216 Q CB -0.156 28.474 28.738 -0.180 0.000 0.915 216 Q HN 0.443 nan 8.270 nan 0.000 0.440 217 V N 0.171 119.964 119.914 -0.201 0.000 2.261 217 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 217 V C 2.126 178.157 176.094 -0.106 0.000 1.047 217 V CA 2.106 64.289 62.300 -0.195 0.000 1.015 217 V CB -0.557 31.131 31.823 -0.225 0.000 0.642 217 V HN 0.286 nan 8.190 nan 0.000 0.446 218 S N -0.741 114.920 115.700 -0.064 0.000 2.383 218 S HA -0.179 4.291 4.470 -0.000 0.000 0.227 218 S C 1.917 176.496 174.600 -0.035 0.000 1.026 218 S CA 1.375 59.555 58.200 -0.032 0.000 0.981 218 S CB -0.241 62.961 63.200 0.004 0.000 0.818 218 S HN 0.675 nan 8.310 nan 0.000 0.472 219 E N 1.071 121.248 120.200 -0.038 0.000 2.058 219 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 219 E C 2.359 178.928 176.600 -0.051 0.000 0.997 219 E CA 0.960 57.338 56.400 -0.036 0.000 0.801 219 E CB -0.082 29.596 29.700 -0.037 0.000 0.746 219 E HN 0.352 nan 8.360 nan 0.000 0.450 220 R N 0.194 120.653 120.500 -0.068 0.000 2.115 220 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 220 R C 2.356 178.617 176.300 -0.066 0.000 1.111 220 R CA 0.857 56.916 56.100 -0.070 0.000 0.976 220 R CB -0.191 30.058 30.300 -0.085 0.000 0.870 220 R HN 0.221 nan 8.270 nan 0.000 0.445 221 I N 0.654 121.183 120.570 -0.067 0.000 2.315 221 I HA -0.282 3.888 4.170 -0.000 0.000 0.248 221 I C 2.663 178.734 176.117 -0.076 0.000 1.117 221 I CA 1.132 62.392 61.300 -0.068 0.000 1.404 221 I CB -0.185 37.780 38.000 -0.059 0.000 1.071 221 I HN 0.199 nan 8.210 nan 0.000 0.419 222 M N 0.913 120.477 119.600 -0.061 0.000 2.108 222 M HA -0.254 4.226 4.480 -0.000 0.000 0.261 222 M C 1.666 177.928 176.300 -0.063 0.000 1.066 222 M CA 1.975 57.240 55.300 -0.059 0.000 1.107 222 M CB -0.218 32.358 32.600 -0.040 0.000 1.356 222 M HN 0.139 nan 8.290 nan 0.000 0.406 223 D N 0.727 121.093 120.400 -0.056 0.000 2.123 223 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 223 D C 2.039 178.302 176.300 -0.062 0.000 0.992 223 D CA 1.490 55.459 54.000 -0.051 0.000 0.833 223 D CB -0.507 40.267 40.800 -0.044 0.000 0.954 223 D HN 0.442 nan 8.370 nan 0.000 0.455 224 L N 0.002 121.177 121.223 -0.079 0.000 2.141 224 L HA -0.071 4.269 4.340 -0.000 0.000 0.209 224 L C 2.307 179.064 176.870 -0.189 0.000 1.094 224 L CA 0.553 55.333 54.840 -0.100 0.000 0.763 224 L CB -0.159 41.846 42.059 -0.090 0.000 0.908 224 L HN 0.021 nan 8.230 nan 0.000 0.437 225 L N -1.248 119.852 121.223 -0.205 0.000 2.446 225 L HA 0.179 4.519 4.340 -0.000 0.000 0.219 225 L C 1.649 178.428 176.870 -0.151 0.000 1.116 225 L CA 0.379 55.054 54.840 -0.275 0.000 0.844 225 L CB -0.564 41.361 42.059 -0.223 0.000 0.970 225 L HN 0.412 nan 8.230 nan 0.000 0.457 226 G N 2.000 110.744 108.800 -0.094 0.000 2.591 226 G HA2 -0.442 3.518 3.960 -0.000 0.000 0.298 226 G HA3 -0.442 3.518 3.960 -0.000 0.000 0.298 226 G C 0.559 175.437 174.900 -0.036 0.000 1.195 226 G CA 0.486 45.556 45.100 -0.050 0.000 0.989 226 G HN 0.497 nan 8.290 nan 0.000 0.551 227 D N 1.069 121.459 120.400 -0.018 0.000 2.363 227 D HA 0.051 4.691 4.640 -0.000 0.000 0.226 227 D C 2.052 178.352 176.300 0.001 0.000 1.020 227 D CA 0.643 54.641 54.000 -0.003 0.000 0.892 227 D CB -0.305 40.501 40.800 0.011 0.000 0.900 227 D HN 0.622 nan 8.370 nan 0.000 0.531 228 R N -0.093 120.398 120.500 -0.016 0.000 2.235 228 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 228 R C 0.332 176.610 176.300 -0.036 0.000 1.059 228 R CA 0.271 56.362 56.100 -0.015 0.000 0.997 228 R CB 0.278 30.560 30.300 -0.030 0.000 0.884 228 R HN 0.074 nan 8.270 nan 0.000 0.462 229 V N 2.932 122.820 119.914 -0.044 0.000 2.406 229 V HA 0.120 4.240 4.120 -0.000 0.000 0.272 229 V C -0.110 175.960 176.094 -0.041 0.000 1.043 229 V CA -0.432 61.837 62.300 -0.052 0.000 0.915 229 V CB 1.324 33.117 31.823 -0.050 0.000 0.988 229 V HN 0.038 nan 8.190 nan 0.000 0.466 230 K N 6.501 126.864 120.400 -0.062 0.000 2.334 230 K HA 0.546 4.866 4.320 -0.000 0.000 0.265 230 K C -0.704 175.862 176.600 -0.056 0.000 1.039 230 K CA -0.313 55.947 56.287 -0.044 0.000 0.920 230 K CB 1.833 34.301 32.500 -0.053 0.000 1.160 230 K HN 0.500 nan 8.250 nan 0.000 0.451 231 L N 1.575 122.776 121.223 -0.038 0.000 2.399 231 L HA 0.187 4.527 4.340 -0.000 0.000 0.266 231 L C 0.705 177.546 176.870 -0.049 0.000 1.114 231 L CA -0.248 54.564 54.840 -0.046 0.000 0.804 231 L CB 0.274 42.316 42.059 -0.030 0.000 1.146 231 L HN 0.692 nan 8.230 nan 0.000 0.451 232 E N 0.530 120.686 120.200 -0.072 0.000 2.389 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.243 232 E C -0.484 176.072 176.600 -0.073 0.000 1.154 232 E CA 0.286 56.639 56.400 -0.077 0.000 0.723 232 E CB -0.864 28.810 29.700 -0.045 0.000 1.261 232 E HN 0.374 nan 8.360 nan 0.000 0.390 233 R N 0.163 120.606 120.500 -0.095 0.000 2.724 233 R HA 0.245 4.585 4.340 -0.000 0.000 0.284 233 R C -2.705 173.526 176.300 -0.114 0.000 1.481 233 R CA -1.968 54.087 56.100 -0.074 0.000 1.652 233 R CB 0.589 30.851 30.300 -0.062 0.000 1.175 233 R HN -0.008 nan 8.270 nan 0.000 0.613 234 P HA 0.006 nan 4.420 nan 0.000 0.271 234 P C -0.298 176.981 177.300 -0.035 0.000 1.226 234 P CA -0.143 62.868 63.100 -0.148 0.000 0.765 234 P CB 0.910 32.537 31.700 -0.121 0.000 0.835 235 V N 5.559 125.460 119.914 -0.021 0.000 2.555 235 V HA 0.053 4.173 4.120 -0.000 0.000 0.286 235 V C 1.706 177.832 176.094 0.053 0.000 1.044 235 V CA 0.463 62.772 62.300 0.015 0.000 1.026 235 V CB 0.331 32.149 31.823 -0.008 0.000 0.981 235 V HN 0.538 nan 8.190 nan 0.000 0.480 236 I N 1.851 122.469 120.570 0.079 0.000 4.323 236 I HA 0.443 4.613 4.170 -0.000 0.000 0.328 236 I C -0.011 176.209 176.117 0.173 0.000 1.310 236 I CA 0.122 61.498 61.300 0.126 0.000 1.186 236 I CB 0.650 38.714 38.000 0.108 0.000 1.130 236 I HN 0.498 nan 8.210 nan 0.000 0.411 237 Y N 1.925 122.188 120.300 -0.063 0.000 2.390 237 Y HA 0.673 5.223 4.550 -0.000 0.000 0.324 237 Y C -1.898 173.935 175.900 -0.111 0.000 1.151 237 Y CA -1.590 56.453 58.100 -0.094 0.000 1.053 237 Y CB 1.561 39.998 38.460 -0.038 0.000 1.277 237 Y HN -0.010 nan 8.280 nan 0.000 0.432 238 I N 5.828 126.007 120.570 -0.651 0.000 2.466 238 I HA 0.314 4.484 4.170 -0.000 0.000 0.289 238 I C -1.311 174.432 176.117 -0.622 0.000 1.026 238 I CA -0.685 60.310 61.300 -0.508 0.000 1.078 238 I CB 1.831 39.685 38.000 -0.243 0.000 1.249 238 I HN 0.521 nan 8.210 nan 0.000 0.429 239 D N 6.078 126.175 120.400 -0.506 0.000 2.481 239 D HA 0.270 4.910 4.640 -0.000 0.000 0.246 239 D C -0.281 175.949 176.300 -0.116 0.000 1.109 239 D CA -0.227 53.570 54.000 -0.339 0.000 0.845 239 D CB 1.544 42.163 40.800 -0.301 0.000 1.160 239 D HN 0.502 nan 8.370 nan 0.000 0.534 240 Q N 1.737 121.508 119.800 -0.048 0.000 2.175 240 Q HA 0.079 4.419 4.340 -0.000 0.000 0.225 240 Q C 1.172 177.169 176.000 -0.004 0.000 0.837 240 Q CA -0.001 55.791 55.803 -0.017 0.000 1.032 240 Q CB 0.767 29.508 28.738 0.006 0.000 1.137 240 Q HN 0.551 nan 8.270 nan 0.000 0.483 241 T N -2.570 111.986 114.554 0.003 0.000 3.085 241 T HA 0.112 4.462 4.350 -0.000 0.000 0.263 241 T C 0.914 175.619 174.700 0.009 0.000 1.127 241 T CA 0.275 62.384 62.100 0.016 0.000 1.103 241 T CB 0.302 69.189 68.868 0.033 0.000 0.921 241 T HN 0.049 nan 8.240 nan 0.000 0.510 242 R N 0.024 120.523 120.500 -0.000 0.000 3.006 242 R HA 0.484 4.824 4.340 -0.000 0.000 0.235 242 R C 1.436 177.725 176.300 -0.018 0.000 1.362 242 R CA -0.764 55.334 56.100 -0.004 0.000 1.067 242 R CB 0.803 31.104 30.300 0.002 0.000 1.396 242 R HN 0.060 nan 8.270 nan 0.000 0.504 243 E N 0.563 120.751 120.200 -0.020 0.000 2.058 243 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 243 E C -0.300 176.268 176.600 -0.053 0.000 0.997 243 E CA 1.262 57.643 56.400 -0.032 0.000 0.801 243 E CB 0.161 29.846 29.700 -0.025 0.000 0.746 243 E HN 0.272 nan 8.360 nan 0.000 0.450 244 N N 0.043 118.716 118.700 -0.044 0.000 2.417 244 N HA 0.175 4.915 4.740 -0.000 0.000 0.300 244 N C -0.969 174.515 175.510 -0.044 0.000 1.102 244 N CA -0.371 52.646 53.050 -0.055 0.000 0.886 244 N CB 2.086 40.552 38.487 -0.035 0.000 1.203 244 N HN -0.164 nan 8.380 nan 0.000 0.496 245 V N 2.245 122.128 119.914 -0.053 0.000 2.572 245 V HA 0.174 4.294 4.120 -0.000 0.000 0.291 245 V C 0.490 176.577 176.094 -0.013 0.000 1.039 245 V CA -0.260 62.019 62.300 -0.036 0.000 1.055 245 V CB 0.210 32.014 31.823 -0.031 0.000 0.969 245 V HN 0.367 nan 8.190 nan 0.000 0.482 246 L N 5.584 126.793 121.223 -0.024 0.000 2.296 246 L HA 0.583 4.923 4.340 -0.000 0.000 0.286 246 L C -0.604 176.255 176.870 -0.019 0.000 1.023 246 L CA -0.520 54.321 54.840 0.002 0.000 0.812 246 L CB 1.778 43.847 42.059 0.018 0.000 1.223 246 L HN 0.378 nan 8.230 nan 0.000 0.421 247 V N 2.831 122.781 119.914 0.061 0.000 2.444 247 V HA 0.359 4.478 4.120 -0.000 0.000 0.294 247 V C -0.251 175.946 176.094 0.173 0.000 1.022 247 V CA -0.638 61.704 62.300 0.070 0.000 0.850 247 V CB 1.761 33.623 31.823 0.065 0.000 0.992 247 V HN 0.730 nan 8.190 nan 0.000 0.426 248 E N 2.925 123.228 120.200 0.171 0.000 2.191 248 E HA 0.642 4.992 4.350 -0.000 0.000 0.274 248 E C -0.250 176.453 176.600 0.172 0.000 0.948 248 E CA -0.475 56.054 56.400 0.214 0.000 0.802 248 E CB 1.854 31.714 29.700 0.267 0.000 1.137 248 E HN 0.837 nan 8.360 nan 0.000 0.397 249 T N 1.062 115.718 114.554 0.171 0.000 2.944 249 T HA 0.187 4.537 4.350 -0.000 0.000 0.284 249 T C 0.996 175.729 174.700 0.055 0.000 1.010 249 T CA -0.839 61.323 62.100 0.103 0.000 1.025 249 T CB 1.126 70.061 68.868 0.112 0.000 1.079 249 T HN 0.443 nan 8.240 nan 0.000 0.516 250 L N 1.737 122.960 121.223 0.001 0.000 2.079 250 L HA -0.013 4.327 4.340 -0.000 0.000 0.210 250 L C 1.931 178.646 176.870 -0.258 0.000 1.081 250 L CA 2.159 56.959 54.840 -0.067 0.000 0.752 250 L CB -1.232 40.808 42.059 -0.032 0.000 0.896 250 L HN 0.942 nan 8.230 nan 0.000 0.433 251 N N -2.336 116.248 118.700 -0.194 0.000 2.485 251 N HA -0.099 4.641 4.740 -0.000 0.000 0.199 251 N C -0.023 175.365 175.510 -0.204 0.000 1.236 251 N CA 0.493 53.388 53.050 -0.259 0.000 0.852 251 N CB -0.611 37.818 38.487 -0.097 0.000 1.018 251 N HN 0.572 nan 8.380 nan 0.000 0.457 252 H N -2.514 116.572 119.070 0.027 0.000 2.992 252 H HA -0.155 4.401 4.556 -0.000 0.000 0.266 252 H C -0.846 174.488 175.328 0.010 0.000 1.200 252 H CA 0.482 56.538 56.048 0.013 0.000 1.135 252 H CB -1.802 27.957 29.762 -0.006 0.000 1.282 252 H HN 0.570 nan 8.280 nan 0.000 0.351 253 E N 0.999 121.270 120.200 0.118 0.000 2.313 253 E HA 0.361 4.711 4.350 -0.000 0.000 0.272 253 E C 0.200 176.816 176.600 0.028 0.000 1.038 253 E CA -0.533 55.889 56.400 0.035 0.000 0.863 253 E CB 0.843 30.585 29.700 0.069 0.000 1.060 253 E HN 0.079 nan 8.360 nan 0.000 0.402 254 M N 2.546 122.054 119.600 -0.153 0.000 2.311 254 M HA 0.354 4.834 4.480 -0.000 0.000 0.325 254 M C -1.297 174.808 176.300 -0.325 0.000 1.061 254 M CA -0.633 54.612 55.300 -0.093 0.000 0.957 254 M CB 0.833 33.404 32.600 -0.049 0.000 1.646 254 M HN 0.479 nan 8.290 nan 0.000 0.434 255 Y N 0.363 120.677 120.300 0.024 0.000 2.446 255 Y HA 0.499 5.049 4.550 -0.000 0.000 0.345 255 Y C 0.028 175.933 175.900 0.008 0.000 0.984 255 Y CA -0.710 57.399 58.100 0.014 0.000 1.058 255 Y CB 1.813 40.280 38.460 0.012 0.000 1.220 255 Y HN 0.570 nan 8.280 nan 0.000 0.455 256 E N 1.789 122.067 120.200 0.130 0.000 2.199 256 E HA 0.836 5.186 4.350 -0.000 0.000 0.265 256 E C -1.531 175.109 176.600 0.066 0.000 0.882 256 E CA -0.692 55.748 56.400 0.068 0.000 0.759 256 E CB 1.322 31.038 29.700 0.026 0.000 1.148 256 E HN 0.769 nan 8.360 nan 0.000 0.412 257 A N 3.581 126.423 122.820 0.038 0.000 2.594 257 A HA 0.378 4.698 4.320 -0.000 0.000 0.291 257 A C -0.032 177.529 177.584 -0.039 0.000 1.105 257 A CA -0.643 51.410 52.037 0.027 0.000 0.694 257 A CB 1.533 20.567 19.000 0.057 0.000 1.291 257 A HN 0.681 nan 8.150 nan 0.000 0.410 258 K N -0.775 119.587 120.400 -0.064 0.000 2.116 258 K HA 0.096 4.416 4.320 -0.000 0.000 0.203 258 K C -0.676 175.597 176.600 -0.544 0.000 1.052 258 K CA 1.463 57.582 56.287 -0.281 0.000 0.952 258 K CB -0.058 32.311 32.500 -0.217 0.000 0.729 258 K HN 0.611 nan 8.250 nan 0.000 0.446 259 Y N -1.221 119.103 120.300 0.039 0.000 2.615 259 Y HA 0.387 4.937 4.550 -0.000 0.000 0.341 259 Y C -0.639 175.288 175.900 0.046 0.000 1.089 259 Y CA -1.292 56.847 58.100 0.066 0.000 1.049 259 Y CB 1.859 40.355 38.460 0.061 0.000 1.296 259 Y HN -0.424 nan 8.280 nan 0.000 0.470 260 V N 3.057 123.113 119.914 0.236 0.000 2.735 260 V HA 0.485 4.604 4.120 -0.000 0.000 0.310 260 V C -0.669 175.474 176.094 0.080 0.000 1.061 260 V CA -0.866 61.499 62.300 0.108 0.000 0.913 260 V CB 2.130 33.982 31.823 0.048 0.000 1.005 260 V HN 0.540 nan 8.190 nan 0.000 0.428 261 I N 2.772 123.360 120.570 0.030 0.000 2.339 261 I HA 0.341 4.511 4.170 -0.000 0.000 0.290 261 I C 0.276 176.382 176.117 -0.019 0.000 0.994 261 I CA -0.160 61.137 61.300 -0.005 0.000 1.191 261 I CB 1.891 39.896 38.000 0.009 0.000 1.343 261 I HN 0.599 nan 8.210 nan 0.000 0.458 262 S N 5.445 121.102 115.700 -0.071 0.000 2.399 262 S HA 0.506 4.976 4.470 -0.000 0.000 0.301 262 S C 0.451 175.133 174.600 0.137 0.000 1.093 262 S CA -0.476 57.755 58.200 0.052 0.000 1.077 262 S CB 0.482 63.753 63.200 0.118 0.000 0.980 262 S HN 0.714 nan 8.310 nan 0.000 0.494 263 A N 5.940 128.829 122.820 0.114 0.000 2.827 263 A HA 0.469 4.789 4.320 -0.000 0.000 0.300 263 A C 0.323 177.986 177.584 0.132 0.000 1.237 263 A CA -0.685 51.425 52.037 0.122 0.000 0.964 263 A CB -0.577 18.470 19.000 0.079 0.000 1.143 263 A HN 0.908 nan 8.150 nan 0.000 0.554 264 I N -4.089 116.577 120.570 0.161 0.000 2.797 264 I HA 0.673 4.843 4.170 -0.000 0.000 0.307 264 I C -2.913 173.301 176.117 0.161 0.000 1.033 264 I CA -3.119 58.274 61.300 0.154 0.000 1.071 264 I CB 1.442 39.536 38.000 0.156 0.000 1.255 264 I HN -0.159 nan 8.210 nan 0.000 0.445 265 P HA 0.093 nan 4.420 nan 0.000 0.263 265 P C -2.148 175.206 177.300 0.091 0.000 1.175 265 P CA -0.514 62.655 63.100 0.115 0.000 0.761 265 P CB -0.040 31.714 31.700 0.090 0.000 0.794 266 P HA -0.240 nan 4.420 nan 0.000 0.216 266 P C 1.614 178.898 177.300 -0.027 0.000 1.157 266 P CA 1.880 64.986 63.100 0.009 0.000 0.880 266 P CB -0.256 31.419 31.700 -0.042 0.000 0.791 267 T N -1.369 113.145 114.554 -0.067 0.000 2.915 267 T HA -0.065 4.285 4.350 -0.000 0.000 0.269 267 T C 1.542 176.232 174.700 -0.016 0.000 1.071 267 T CA 0.732 62.782 62.100 -0.084 0.000 1.132 267 T CB -0.813 67.971 68.868 -0.140 0.000 0.878 267 T HN -0.037 nan 8.240 nan 0.000 0.479 268 L N 0.459 121.702 121.223 0.033 0.000 2.456 268 L HA 0.096 4.436 4.340 -0.000 0.000 0.224 268 L C 2.809 179.753 176.870 0.123 0.000 1.148 268 L CA 0.747 55.635 54.840 0.079 0.000 0.825 268 L CB -0.784 41.346 42.059 0.120 0.000 0.937 268 L HN 0.357 nan 8.230 nan 0.000 0.450 269 G N -0.101 108.783 108.800 0.140 0.000 2.479 269 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.220 269 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.220 269 G C 1.605 176.646 174.900 0.235 0.000 1.115 269 G CA 0.306 45.547 45.100 0.236 0.000 0.757 269 G HN 0.158 nan 8.290 nan 0.000 0.560 270 M N 0.356 120.021 119.600 0.107 0.000 2.279 270 M HA 0.005 4.485 4.480 -0.000 0.000 0.264 270 M C 2.125 178.440 176.300 0.024 0.000 1.062 270 M CA 0.987 56.320 55.300 0.054 0.000 1.099 270 M CB -0.510 32.084 32.600 -0.011 0.000 1.394 270 M HN 0.220 nan 8.290 nan 0.000 0.426 271 K N 0.123 120.558 120.400 0.059 0.000 2.504 271 K HA 0.123 4.443 4.320 -0.000 0.000 0.195 271 K C 0.371 177.016 176.600 0.075 0.000 1.036 271 K CA 0.467 56.796 56.287 0.069 0.000 0.984 271 K CB 0.082 32.655 32.500 0.122 0.000 0.788 271 K HN 0.332 nan 8.250 nan 0.000 0.488 272 I N 1.134 121.710 120.570 0.010 0.000 2.404 272 I HA 0.125 4.295 4.170 -0.000 0.000 0.293 272 I C 0.117 176.062 176.117 -0.287 0.000 0.992 272 I CA -0.733 60.476 61.300 -0.152 0.000 1.149 272 I CB 1.370 39.129 38.000 -0.402 0.000 1.315 272 I HN 0.027 nan 8.210 nan 0.000 0.446 273 H N 6.119 125.077 119.070 -0.187 0.000 2.562 273 H HA 0.343 4.899 4.556 -0.000 0.000 0.314 273 H C -1.085 174.158 175.328 -0.143 0.000 1.079 273 H CA -0.214 55.830 56.048 -0.007 0.000 1.349 273 H CB 1.093 30.940 29.762 0.142 0.000 1.432 273 H HN 0.322 nan 8.280 nan 0.000 0.479 274 F N 1.946 122.007 119.950 0.186 0.000 2.443 274 F HA 0.170 4.697 4.527 -0.000 0.000 0.335 274 F C 0.633 176.488 175.800 0.092 0.000 1.104 274 F CA -0.729 57.314 58.000 0.072 0.000 1.013 274 F CB 1.321 40.345 39.000 0.040 0.000 1.136 274 F HN 0.472 nan 8.300 nan 0.000 0.470 275 N N 4.216 123.015 118.700 0.165 0.000 2.461 275 N HA 0.408 5.148 4.740 -0.000 0.000 0.284 275 N C -3.048 172.511 175.510 0.082 0.000 1.049 275 N CA -2.340 50.795 53.050 0.141 0.000 0.889 275 N CB 2.110 40.708 38.487 0.184 0.000 1.365 275 N HN 0.074 nan 8.380 nan 0.000 0.499 276 P HA 0.304 nan 4.420 nan 0.000 0.273 276 P C -2.622 174.753 177.300 0.125 0.000 1.250 276 P CA -0.937 62.221 63.100 0.096 0.000 0.793 276 P CB -0.341 31.395 31.700 0.059 0.000 1.011 277 P HA 0.072 nan 4.420 nan 0.000 0.269 277 P C 0.096 177.411 177.300 0.025 0.000 1.217 277 P CA 0.251 63.413 63.100 0.102 0.000 0.783 277 P CB 0.178 31.920 31.700 0.070 0.000 0.898 278 L N 3.057 124.247 121.223 -0.056 0.000 2.483 278 L HA 0.131 4.471 4.340 -0.000 0.000 0.275 278 L C -1.652 175.165 176.870 -0.088 0.000 1.220 278 L CA -1.550 53.190 54.840 -0.167 0.000 0.833 278 L CB -0.701 41.169 42.059 -0.315 0.000 1.102 278 L HN 0.305 nan 8.230 nan 0.000 0.490 279 P HA -0.061 nan 4.420 nan 0.000 0.268 279 P C 0.665 177.933 177.300 -0.053 0.000 1.208 279 P CA -0.170 62.897 63.100 -0.055 0.000 0.777 279 P CB 0.452 32.119 31.700 -0.055 0.000 0.875 280 M N 1.861 121.442 119.600 -0.031 0.000 2.089 280 M HA -0.232 4.248 4.480 -0.000 0.000 0.257 280 M C 1.217 177.521 176.300 0.007 0.000 1.071 280 M CA 2.323 57.615 55.300 -0.014 0.000 1.096 280 M CB -0.378 32.218 32.600 -0.008 0.000 1.330 280 M HN 0.180 nan 8.290 nan 0.000 0.403 281 M N -0.321 119.280 119.600 0.003 0.000 2.117 281 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 281 M C 2.306 178.646 176.300 0.067 0.000 1.065 281 M CA 1.777 57.117 55.300 0.066 0.000 1.114 281 M CB -1.480 31.106 32.600 -0.022 0.000 1.361 281 M HN 0.439 nan 8.290 nan 0.000 0.408 282 R N 0.311 120.780 120.500 -0.051 0.000 2.092 282 R HA -0.159 4.181 4.340 -0.000 0.000 0.231 282 R C 2.015 178.228 176.300 -0.144 0.000 1.119 282 R CA 1.632 57.652 56.100 -0.132 0.000 0.970 282 R CB -0.201 29.971 30.300 -0.213 0.000 0.864 282 R HN 0.331 nan 8.270 nan 0.000 0.440 283 N N 0.557 119.189 118.700 -0.114 0.000 2.060 283 N HA -0.239 4.501 4.740 -0.000 0.000 0.195 283 N C 1.595 177.039 175.510 -0.110 0.000 1.028 283 N CA 2.053 55.043 53.050 -0.100 0.000 0.861 283 N CB -0.018 38.433 38.487 -0.059 0.000 1.029 283 N HN 0.351 nan 8.380 nan 0.000 0.428 284 Q N -1.073 118.668 119.800 -0.098 0.000 2.137 284 Q HA -0.060 4.280 4.340 -0.000 0.000 0.198 284 Q C 2.008 177.756 176.000 -0.420 0.000 0.960 284 Q CA 0.664 56.354 55.803 -0.188 0.000 0.847 284 Q CB -0.139 28.554 28.738 -0.075 0.000 0.915 284 Q HN 0.501 nan 8.270 nan 0.000 0.448 285 M N 1.719 121.067 119.600 -0.421 0.000 2.106 285 M HA -0.173 4.307 4.480 -0.000 0.000 0.259 285 M C 2.029 178.091 176.300 -0.396 0.000 1.068 285 M CA 1.681 56.671 55.300 -0.518 0.000 1.100 285 M CB -0.489 31.984 32.600 -0.211 0.000 1.351 285 M HN 0.309 nan 8.290 nan 0.000 0.404 286 I N -1.557 118.847 120.570 -0.276 0.000 3.334 286 I HA -0.082 4.088 4.170 -0.000 0.000 0.282 286 I C 1.459 177.445 176.117 -0.218 0.000 1.313 286 I CA 1.397 62.565 61.300 -0.220 0.000 1.396 286 I CB -1.020 36.896 38.000 -0.139 0.000 1.054 286 I HN 0.324 nan 8.210 nan 0.000 0.495 287 T N -2.525 111.876 114.554 -0.255 0.000 3.069 287 T HA 0.282 4.632 4.350 -0.000 0.000 0.252 287 T C 1.490 176.019 174.700 -0.285 0.000 1.053 287 T CA -0.225 61.738 62.100 -0.228 0.000 0.964 287 T CB -0.021 68.737 68.868 -0.184 0.000 1.005 287 T HN 0.410 nan 8.240 nan 0.000 0.532 288 R N 1.006 121.276 120.500 -0.384 0.000 2.472 288 R HA 0.327 4.667 4.340 -0.000 0.000 0.279 288 R C -0.121 175.858 176.300 -0.536 0.000 0.953 288 R CA -0.005 55.839 56.100 -0.427 0.000 1.088 288 R CB 1.302 31.294 30.300 -0.513 0.000 1.197 288 R HN 0.430 nan 8.270 nan 0.000 0.536 289 V N -0.731 118.849 119.914 -0.557 0.000 2.383 289 V HA 0.459 4.579 4.120 -0.000 0.000 0.261 289 V C -2.655 173.078 176.094 -0.602 0.000 0.987 289 V CA -2.324 59.531 62.300 -0.742 0.000 0.853 289 V CB 0.696 32.036 31.823 -0.804 0.000 1.095 289 V HN -0.105 nan 8.190 nan 0.000 0.461 290 P HA 0.497 nan 4.420 nan 0.000 0.276 290 P C -0.669 176.313 177.300 -0.530 0.000 1.261 290 P CA -0.329 62.437 63.100 -0.557 0.000 0.800 290 P CB 1.819 33.175 31.700 -0.572 0.000 1.066 291 L N 0.254 121.343 121.223 -0.224 0.000 2.352 291 L HA 0.574 4.914 4.340 -0.000 0.000 0.269 291 L C 1.479 178.408 176.870 0.098 0.000 1.034 291 L CA -0.197 54.611 54.840 -0.052 0.000 0.806 291 L CB 0.518 42.578 42.059 0.001 0.000 1.244 291 L HN 0.479 nan 8.230 nan 0.000 0.447 292 G N 0.011 108.897 108.800 0.142 0.000 2.631 292 G HA2 0.395 4.355 3.960 -0.000 0.000 0.271 292 G HA3 0.395 4.355 3.960 -0.000 0.000 0.271 292 G C -0.730 174.181 174.900 0.019 0.000 1.302 292 G CA -0.358 44.788 45.100 0.077 0.000 1.002 292 G HN 0.498 nan 8.290 nan 0.000 0.519 293 S N -1.374 114.308 115.700 -0.029 0.000 2.605 293 S HA 0.581 5.051 4.470 -0.000 0.000 0.308 293 S C -1.019 173.582 174.600 0.000 0.000 1.113 293 S CA -0.494 57.717 58.200 0.018 0.000 1.049 293 S CB 1.675 64.895 63.200 0.032 0.000 1.001 293 S HN 0.787 nan 8.310 nan 0.000 0.480 294 V N 4.856 124.824 119.914 0.090 0.000 3.000 294 V HA 0.586 4.706 4.120 -0.000 0.000 0.300 294 V C -1.933 174.336 176.094 0.293 0.000 1.251 294 V CA -0.756 61.636 62.300 0.154 0.000 0.972 294 V CB 1.843 33.717 31.823 0.084 0.000 1.065 294 V HN 0.873 nan 8.190 nan 0.000 0.431 295 I N 5.179 125.931 120.570 0.302 0.000 2.406 295 I HA 0.523 4.693 4.170 -0.000 0.000 0.290 295 I C -0.265 176.099 176.117 0.412 0.000 0.999 295 I CA -0.610 60.882 61.300 0.321 0.000 1.124 295 I CB 1.739 39.865 38.000 0.210 0.000 1.289 295 I HN 0.507 nan 8.210 nan 0.000 0.441 296 K N 5.968 126.640 120.400 0.453 0.000 2.234 296 K HA 0.586 4.906 4.320 -0.000 0.000 0.277 296 K C -1.452 175.262 176.600 0.189 0.000 1.038 296 K CA -0.316 56.201 56.287 0.382 0.000 0.888 296 K CB 0.927 33.721 32.500 0.490 0.000 1.091 296 K HN 0.703 nan 8.250 nan 0.000 0.467 297 C N 5.351 124.719 119.300 0.114 0.000 2.441 297 C HA 0.576 5.036 4.460 -0.000 0.000 0.318 297 C C -0.813 174.221 174.990 0.072 0.000 1.222 297 C CA -1.086 57.996 59.018 0.107 0.000 1.474 297 C CB 0.044 27.955 27.740 0.284 0.000 2.125 297 C HN 0.734 nan 8.230 nan 0.000 0.479 298 I N 3.037 123.613 120.570 0.010 0.000 2.439 298 I HA 0.410 4.580 4.170 -0.000 0.000 0.285 298 I C -0.281 175.849 176.117 0.021 0.000 1.021 298 I CA -0.129 61.137 61.300 -0.056 0.000 1.091 298 I CB 1.398 39.315 38.000 -0.139 0.000 1.242 298 I HN 0.355 nan 8.210 nan 0.000 0.439 299 V N 6.660 126.587 119.914 0.021 0.000 2.394 299 V HA 0.382 4.502 4.120 -0.000 0.000 0.282 299 V C -0.607 175.314 176.094 -0.287 0.000 1.031 299 V CA -0.675 61.651 62.300 0.042 0.000 0.881 299 V CB 0.810 32.701 31.823 0.113 0.000 0.982 299 V HN 0.407 nan 8.190 nan 0.000 0.451 300 Y N 4.085 124.329 120.300 -0.092 0.000 2.361 300 Y HA 0.675 5.225 4.550 -0.000 0.000 0.332 300 Y C -0.265 175.494 175.900 -0.235 0.000 1.101 300 Y CA -0.405 57.687 58.100 -0.013 0.000 1.137 300 Y CB 1.420 39.973 38.460 0.155 0.000 1.207 300 Y HN 0.533 nan 8.280 nan 0.000 0.463 301 Y N -0.126 120.422 120.300 0.413 0.000 2.609 301 Y HA 0.283 4.833 4.550 -0.000 0.000 0.342 301 Y C 1.077 177.124 175.900 0.244 0.000 1.058 301 Y CA -1.399 56.915 58.100 0.357 0.000 1.055 301 Y CB 1.930 40.699 38.460 0.514 0.000 1.292 301 Y HN 0.497 nan 8.280 nan 0.000 0.476 302 K N 0.417 121.034 120.400 0.361 0.000 2.057 302 K HA -0.065 4.255 4.320 -0.000 0.000 0.207 302 K C -0.552 176.122 176.600 0.123 0.000 1.049 302 K CA 1.687 58.082 56.287 0.180 0.000 0.931 302 K CB 0.208 32.785 32.500 0.129 0.000 0.714 302 K HN 0.731 nan 8.250 nan 0.000 0.440 303 E N -0.887 119.404 120.200 0.152 0.000 2.408 303 E HA 0.208 4.558 4.350 -0.000 0.000 0.275 303 E C -2.678 173.793 176.600 -0.215 0.000 0.935 303 E CA -2.300 54.095 56.400 -0.009 0.000 0.775 303 E CB 2.212 31.896 29.700 -0.027 0.000 1.277 303 E HN -0.061 nan 8.360 nan 0.000 0.455 304 P HA 0.028 nan 4.420 nan 0.000 0.230 304 P C 0.196 176.577 177.300 -1.532 0.000 1.791 304 P CA -0.015 62.154 63.100 -1.552 0.000 1.020 304 P CB -0.855 30.223 31.700 -1.037 0.000 1.977 305 F N 0.058 119.470 119.950 -0.897 0.000 2.250 305 F HA -0.126 4.401 4.527 -0.000 0.000 0.301 305 F C 1.795 177.435 175.800 -0.267 0.000 1.077 305 F CA 0.027 57.782 58.000 -0.408 0.000 1.348 305 F CB -1.822 37.064 39.000 -0.190 0.000 1.040 305 F HN 0.134 nan 8.300 nan 0.000 0.509 306 W N 1.417 122.397 121.300 -0.534 0.000 2.350 306 W HA -0.015 4.645 4.660 -0.000 0.000 0.289 306 W C 2.060 178.525 176.519 -0.090 0.000 1.215 306 W CA 1.012 58.229 57.345 -0.212 0.000 1.236 306 W CB -1.184 28.085 29.460 -0.319 0.000 1.130 306 W HN -0.131 nan 8.180 nan 0.000 0.541 307 R N 1.227 121.521 120.500 -0.344 0.000 2.127 307 R HA -0.105 4.235 4.340 -0.000 0.000 0.238 307 R C 2.058 178.275 176.300 -0.138 0.000 1.134 307 R CA 1.785 57.775 56.100 -0.183 0.000 0.975 307 R CB -0.456 29.675 30.300 -0.282 0.000 0.865 307 R HN 0.321 nan 8.270 nan 0.000 0.447 308 K N 0.687 121.001 120.400 -0.143 0.000 2.211 308 K HA -0.104 4.216 4.320 -0.000 0.000 0.203 308 K C 1.364 177.894 176.600 -0.116 0.000 1.050 308 K CA 0.980 57.207 56.287 -0.100 0.000 0.945 308 K CB 0.048 32.509 32.500 -0.064 0.000 0.732 308 K HN 0.141 nan 8.250 nan 0.000 0.451 309 K N 0.969 121.272 120.400 -0.162 0.000 2.437 309 K HA -0.030 4.290 4.320 -0.000 0.000 0.198 309 K C -0.485 175.786 176.600 -0.548 0.000 1.024 309 K CA 0.078 56.156 56.287 -0.348 0.000 1.148 309 K CB 0.239 32.489 32.500 -0.417 0.000 0.860 309 K HN 0.021 nan 8.250 nan 0.000 0.515 310 D N 0.181 120.407 120.400 -0.289 0.000 2.800 310 D HA -0.218 4.422 4.640 -0.000 0.000 0.232 310 D C -1.390 174.850 176.300 -0.101 0.000 1.137 310 D CA 0.897 54.790 54.000 -0.179 0.000 0.718 310 D CB -1.373 39.344 40.800 -0.138 0.000 1.084 310 D HN 0.346 nan 8.370 nan 0.000 0.432 311 Y N -0.897 119.437 120.300 0.057 0.000 2.377 311 Y HA 0.322 4.872 4.550 -0.000 0.000 0.339 311 Y C 2.025 177.998 175.900 0.123 0.000 1.011 311 Y CA -0.964 57.171 58.100 0.058 0.000 1.093 311 Y CB 1.288 39.792 38.460 0.073 0.000 1.201 311 Y HN 0.251 nan 8.280 nan 0.000 0.455 312 C N -1.028 118.388 119.300 0.192 0.000 2.495 312 C HA 0.443 4.903 4.460 -0.000 0.000 0.275 312 C C 1.724 176.772 174.990 0.097 0.000 1.392 312 C CA 0.588 59.692 59.018 0.144 0.000 1.766 312 C CB -0.893 26.854 27.740 0.011 0.000 1.933 312 C HN 1.227 nan 8.230 nan 0.000 0.519 313 G N -0.265 108.427 108.800 -0.180 0.000 2.231 313 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.206 313 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.206 313 G C 0.039 174.597 174.900 -0.571 0.000 0.996 313 G CA 0.173 44.845 45.100 -0.713 0.000 0.645 313 G HN 0.559 nan 8.290 nan 0.000 0.498 314 T N 2.327 116.642 114.554 -0.397 0.000 2.814 314 T HA 0.612 4.962 4.350 -0.000 0.000 0.297 314 T C 0.308 174.779 174.700 -0.381 0.000 0.956 314 T CA 0.623 62.459 62.100 -0.439 0.000 1.123 314 T CB 0.796 69.449 68.868 -0.359 0.000 0.902 314 T HN 0.289 nan 8.240 nan 0.000 0.528 315 M N 4.109 123.460 119.600 -0.414 0.000 2.263 315 M HA 0.485 4.965 4.480 -0.000 0.000 0.295 315 M C -0.886 175.372 176.300 -0.070 0.000 1.028 315 M CA -0.543 54.639 55.300 -0.196 0.000 0.921 315 M CB 2.164 34.639 32.600 -0.208 0.000 1.601 315 M HN 0.408 nan 8.290 nan 0.000 0.440 316 I N 4.829 125.532 120.570 0.221 0.000 2.354 316 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 316 I C -0.823 175.587 176.117 0.488 0.000 1.007 316 I CA -0.369 61.196 61.300 0.442 0.000 1.167 316 I CB 0.958 39.298 38.000 0.568 0.000 1.320 316 I HN 0.621 nan 8.210 nan 0.000 0.458 317 I N 5.315 126.125 120.570 0.400 0.000 2.420 317 I HA 0.273 4.443 4.170 -0.000 0.000 0.282 317 I C -0.345 175.964 176.117 0.322 0.000 1.019 317 I CA -0.588 60.917 61.300 0.340 0.000 1.130 317 I CB 1.045 39.179 38.000 0.223 0.000 1.262 317 I HN 0.437 nan 8.210 nan 0.000 0.454 318 D N 4.739 125.329 120.400 0.318 0.000 2.339 318 D HA 0.551 5.191 4.640 -0.000 0.000 0.245 318 D C 0.447 176.866 176.300 0.198 0.000 1.115 318 D CA 0.814 54.963 54.000 0.249 0.000 0.917 318 D CB 1.801 42.726 40.800 0.208 0.000 1.192 318 D HN 0.819 nan 8.370 nan 0.000 0.428 319 G N 1.400 110.296 108.800 0.161 0.000 2.617 319 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.686 319 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.686 319 G C 0.520 175.497 174.900 0.130 0.000 1.214 319 G CA -0.060 45.119 45.100 0.131 0.000 0.796 319 G HN 0.404 nan 8.290 nan 0.000 0.654 320 E N 0.215 120.485 120.200 0.116 0.000 2.106 320 E HA -0.035 4.315 4.350 -0.000 0.000 0.192 320 E C 2.176 178.842 176.600 0.109 0.000 0.984 320 E CA 2.454 58.932 56.400 0.131 0.000 0.806 320 E CB -0.021 29.751 29.700 0.120 0.000 0.750 320 E HN 0.659 nan 8.360 nan 0.000 0.458 321 E N 0.580 120.835 120.200 0.092 0.000 2.150 321 E HA 0.051 4.401 4.350 -0.000 0.000 0.193 321 E C 0.510 177.146 176.600 0.061 0.000 0.985 321 E CA 0.917 57.359 56.400 0.071 0.000 0.814 321 E CB -0.428 29.312 29.700 0.066 0.000 0.752 321 E HN 0.284 nan 8.360 nan 0.000 0.466 322 A N 2.760 125.626 122.820 0.078 0.000 2.491 322 A HA 0.136 4.456 4.320 -0.000 0.000 0.261 322 A C -1.347 176.270 177.584 0.055 0.000 1.101 322 A CA -1.089 50.988 52.037 0.066 0.000 0.772 322 A CB 0.106 19.168 19.000 0.103 0.000 1.043 322 A HN 0.012 nan 8.150 nan 0.000 0.501 323 P HA -0.058 nan 4.420 nan 0.000 0.217 323 P C 0.264 177.603 177.300 0.065 0.000 1.150 323 P CA 1.044 64.157 63.100 0.021 0.000 0.832 323 P CB 0.071 31.764 31.700 -0.011 0.000 0.787 324 V N 0.090 120.063 119.914 0.099 0.000 2.448 324 V HA 0.471 4.591 4.120 -0.000 0.000 0.295 324 V C 1.162 177.384 176.094 0.213 0.000 1.025 324 V CA -0.116 62.292 62.300 0.181 0.000 0.859 324 V CB 1.327 33.286 31.823 0.226 0.000 0.988 324 V HN -0.017 nan 8.190 nan 0.000 0.431 325 A N 4.465 127.443 122.820 0.263 0.000 2.220 325 A HA 0.314 4.634 4.320 -0.000 0.000 0.211 325 A C 0.170 177.998 177.584 0.407 0.000 1.176 325 A CA 0.555 52.774 52.037 0.304 0.000 0.834 325 A CB 0.151 19.323 19.000 0.287 0.000 0.868 325 A HN 0.776 nan 8.150 nan 0.000 0.488 326 Y N -0.119 120.324 120.300 0.239 0.000 2.442 326 Y HA 0.460 5.010 4.550 -0.000 0.000 0.330 326 Y C -0.422 175.546 175.900 0.113 0.000 1.100 326 Y CA -0.348 57.876 58.100 0.206 0.000 1.034 326 Y CB 1.514 40.143 38.460 0.282 0.000 1.285 326 Y HN 0.119 nan 8.280 nan 0.000 0.440 327 T N 4.004 118.263 114.554 -0.492 0.000 2.906 327 T HA 0.868 5.218 4.350 -0.000 0.000 0.295 327 T C -1.486 172.824 174.700 -0.650 0.000 1.075 327 T CA -0.826 60.993 62.100 -0.469 0.000 1.005 327 T CB 1.899 70.462 68.868 -0.508 0.000 1.136 327 T HN 0.604 nan 8.240 nan 0.000 0.498 328 L N 1.015 121.979 121.223 -0.433 0.000 2.393 328 L HA 0.493 4.833 4.340 -0.000 0.000 0.260 328 L C -0.646 176.042 176.870 -0.304 0.000 1.002 328 L CA -1.267 53.363 54.840 -0.349 0.000 0.818 328 L CB 2.212 44.149 42.059 -0.202 0.000 1.369 328 L HN 0.738 nan 8.230 nan 0.000 0.412 329 D N 0.951 121.199 120.400 -0.254 0.000 2.434 329 D HA -0.052 4.588 4.640 -0.000 0.000 0.252 329 D C -0.172 176.143 176.300 0.024 0.000 1.185 329 D CA 0.611 54.538 54.000 -0.122 0.000 0.886 329 D CB 1.126 41.977 40.800 0.085 0.000 1.148 329 D HN 0.504 nan 8.370 nan 0.000 0.483 330 D N 1.895 122.314 120.400 0.032 0.000 2.440 330 D HA 0.065 4.705 4.640 -0.000 0.000 0.216 330 D C -0.246 176.136 176.300 0.137 0.000 1.150 330 D CA -0.115 53.931 54.000 0.077 0.000 0.832 330 D CB 0.386 41.171 40.800 -0.025 0.000 0.992 330 D HN 0.254 nan 8.370 nan 0.000 0.502 331 T N 1.529 116.204 114.554 0.201 0.000 2.937 331 T HA -0.000 4.350 4.350 -0.000 0.000 0.316 331 T C 0.558 175.337 174.700 0.131 0.000 1.079 331 T CA -0.031 62.186 62.100 0.194 0.000 1.131 331 T CB 0.751 69.739 68.868 0.199 0.000 1.000 331 T HN -0.060 nan 8.240 nan 0.000 0.549 332 K N 3.574 124.015 120.400 0.068 0.000 2.276 332 K HA 0.097 4.417 4.320 -0.000 0.000 0.259 332 K C -1.401 175.093 176.600 -0.176 0.000 1.001 332 K CA -1.899 54.331 56.287 -0.094 0.000 0.927 332 K CB 0.198 32.673 32.500 -0.042 0.000 0.969 332 K HN 0.339 nan 8.250 nan 0.000 0.490 333 P HA -0.124 nan 4.420 nan 0.000 0.220 333 P C 0.326 177.552 177.300 -0.124 0.000 1.148 333 P CA 1.311 64.206 63.100 -0.342 0.000 0.803 333 P CB 0.343 31.723 31.700 -0.534 0.000 0.782 334 E N -0.863 119.284 120.200 -0.089 0.000 2.418 334 E HA 0.115 4.465 4.350 -0.000 0.000 0.197 334 E C 1.604 178.195 176.600 -0.016 0.000 1.026 334 E CA 1.066 57.450 56.400 -0.027 0.000 0.862 334 E CB -0.812 28.893 29.700 0.008 0.000 0.799 334 E HN 0.325 nan 8.360 nan 0.000 0.518 335 G N 0.567 109.360 108.800 -0.013 0.000 2.176 335 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.232 335 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.232 335 G C 0.091 174.985 174.900 -0.010 0.000 0.986 335 G CA 0.208 45.298 45.100 -0.016 0.000 0.643 335 G HN 0.358 nan 8.290 nan 0.000 0.522 336 N N -0.658 118.056 118.700 0.023 0.000 2.563 336 N HA 0.537 5.277 4.740 -0.000 0.000 0.288 336 N C 0.513 176.104 175.510 0.135 0.000 1.246 336 N CA -0.861 52.179 53.050 -0.016 0.000 0.946 336 N CB 0.039 38.445 38.487 -0.136 0.000 1.213 336 N HN 0.610 nan 8.380 nan 0.000 0.578 337 Y N -2.698 117.632 120.300 0.050 0.000 3.168 337 Y HA -0.175 4.375 4.550 -0.000 0.000 0.207 337 Y C 0.627 176.661 175.900 0.225 0.000 1.280 337 Y CA 0.318 58.499 58.100 0.135 0.000 1.235 337 Y CB -2.340 36.163 38.460 0.072 0.000 1.370 337 Y HN 0.761 nan 8.280 nan 0.000 0.537 338 A N 0.299 123.277 122.820 0.263 0.000 2.587 338 A HA 0.541 4.861 4.320 -0.000 0.000 0.235 338 A C 0.755 178.585 177.584 0.411 0.000 1.044 338 A CA 0.670 52.877 52.037 0.283 0.000 0.754 338 A CB 0.098 19.190 19.000 0.153 0.000 0.968 338 A HN 1.531 nan 8.150 nan 0.000 0.509 339 A N 2.282 125.355 122.820 0.422 0.000 2.605 339 A HA 0.627 4.947 4.320 -0.000 0.000 0.294 339 A C -1.057 176.533 177.584 0.010 0.000 1.062 339 A CA -0.535 51.566 52.037 0.107 0.000 0.682 339 A CB 0.956 19.688 19.000 -0.447 0.000 1.278 339 A HN 0.729 nan 8.150 nan 0.000 0.410 340 I N 2.360 122.828 120.570 -0.170 0.000 2.406 340 I HA 0.382 4.552 4.170 -0.000 0.000 0.290 340 I C -0.261 175.706 176.117 -0.250 0.000 0.999 340 I CA -0.401 60.666 61.300 -0.389 0.000 1.124 340 I CB 1.663 39.280 38.000 -0.639 0.000 1.289 340 I HN 0.756 nan 8.210 nan 0.000 0.441 341 M N 5.746 125.196 119.600 -0.249 0.000 2.157 341 M HA 0.607 5.087 4.480 -0.000 0.000 0.354 341 M C -0.341 175.825 176.300 -0.223 0.000 1.170 341 M CA -0.163 55.021 55.300 -0.194 0.000 1.060 341 M CB 1.109 33.613 32.600 -0.160 0.000 1.615 341 M HN 0.705 nan 8.290 nan 0.000 0.460 342 G N 4.374 113.099 108.800 -0.126 0.000 2.563 342 G HA2 0.700 4.660 3.960 -0.000 0.000 0.302 342 G HA3 0.700 4.660 3.960 -0.000 0.000 0.302 342 G C -1.943 172.916 174.900 -0.069 0.000 1.301 342 G CA -0.539 44.534 45.100 -0.046 0.000 0.965 342 G HN 0.656 nan 8.290 nan 0.000 0.480 343 F N 0.576 120.680 119.950 0.255 0.000 2.427 343 F HA 0.479 5.006 4.527 -0.000 0.000 0.346 343 F C 0.522 176.443 175.800 0.201 0.000 1.120 343 F CA -0.704 57.447 58.000 0.251 0.000 1.033 343 F CB 2.138 41.316 39.000 0.296 0.000 1.126 343 F HN 0.055 nan 8.300 nan 0.000 0.462 344 I N 5.397 126.184 120.570 0.362 0.000 2.304 344 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 344 I C -0.666 175.552 176.117 0.169 0.000 1.018 344 I CA -0.292 61.136 61.300 0.214 0.000 1.260 344 I CB 0.768 38.861 38.000 0.154 0.000 1.390 344 I HN 0.389 nan 8.210 nan 0.000 0.475 345 L N 6.516 127.798 121.223 0.099 0.000 2.317 345 L HA 0.699 5.039 4.340 -0.000 0.000 0.281 345 L C 0.933 177.780 176.870 -0.039 0.000 1.024 345 L CA -0.188 54.673 54.840 0.035 0.000 0.810 345 L CB 1.556 43.646 42.059 0.052 0.000 1.240 345 L HN 0.909 nan 8.230 nan 0.000 0.427 346 A N 2.171 124.961 122.820 -0.050 0.000 5.308 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.321 346 A C 1.718 179.302 177.584 -0.001 0.000 1.849 346 A CA 1.562 53.575 52.037 -0.040 0.000 0.713 346 A CB -1.613 17.359 19.000 -0.046 0.000 1.360 346 A HN 1.085 nan 8.150 nan 0.000 0.384 347 H N 1.060 120.126 119.070 -0.007 0.000 2.422 347 H HA -0.058 4.498 4.556 -0.000 0.000 0.298 347 H C 1.687 177.037 175.328 0.037 0.000 1.098 347 H CA 1.893 57.954 56.048 0.021 0.000 1.315 347 H CB -0.385 29.397 29.762 0.033 0.000 1.382 347 H HN 0.742 nan 8.280 nan 0.000 0.523 348 K N 0.772 120.839 120.400 -0.556 0.000 2.148 348 K HA 0.047 4.367 4.320 -0.000 0.000 0.204 348 K C 2.619 179.165 176.600 -0.089 0.000 1.050 348 K CA 0.932 57.019 56.287 -0.333 0.000 0.942 348 K CB -0.015 32.304 32.500 -0.302 0.000 0.724 348 K HN 0.328 nan 8.250 nan 0.000 0.446 349 A N 1.867 124.664 122.820 -0.037 0.000 1.940 349 A HA -0.193 4.127 4.320 -0.000 0.000 0.219 349 A C 2.048 179.654 177.584 0.037 0.000 1.176 349 A CA 1.353 53.409 52.037 0.033 0.000 0.631 349 A CB -0.328 18.707 19.000 0.059 0.000 0.814 349 A HN 0.220 nan 8.150 nan 0.000 0.446 350 R N -0.637 119.883 120.500 0.034 0.000 2.062 350 R HA -0.039 4.301 4.340 -0.000 0.000 0.229 350 R C 2.384 178.712 176.300 0.046 0.000 1.128 350 R CA 1.335 57.464 56.100 0.048 0.000 0.960 350 R CB -0.321 30.019 30.300 0.066 0.000 0.855 350 R HN 0.562 nan 8.270 nan 0.000 0.432 351 K N 1.338 121.765 120.400 0.045 0.000 2.026 351 K HA -0.103 4.217 4.320 -0.000 0.000 0.208 351 K C 1.866 178.485 176.600 0.032 0.000 1.048 351 K CA 1.293 57.609 56.287 0.048 0.000 0.929 351 K CB -0.001 32.536 32.500 0.062 0.000 0.713 351 K HN 0.130 nan 8.250 nan 0.000 0.439 352 L N 0.286 121.523 121.223 0.022 0.000 2.554 352 L HA 0.066 4.406 4.340 -0.000 0.000 0.226 352 L C 2.273 179.164 176.870 0.034 0.000 1.137 352 L CA 0.285 55.140 54.840 0.025 0.000 0.863 352 L CB -0.176 41.896 42.059 0.022 0.000 0.985 352 L HN 0.220 nan 8.230 nan 0.000 0.451 353 A N 0.552 123.395 122.820 0.037 0.000 2.070 353 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 353 A C 2.334 179.935 177.584 0.030 0.000 1.159 353 A CA 1.041 53.101 52.037 0.038 0.000 0.656 353 A CB -0.356 18.666 19.000 0.037 0.000 0.800 353 A HN 0.363 nan 8.150 nan 0.000 0.453 354 R N -0.619 119.897 120.500 0.027 0.000 2.189 354 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 354 R C 0.248 176.559 176.300 0.019 0.000 1.092 354 R CA 0.262 56.374 56.100 0.021 0.000 0.989 354 R CB -0.479 29.834 30.300 0.021 0.000 0.876 354 R HN 0.442 nan 8.270 nan 0.000 0.457 355 L N 0.633 121.869 121.223 0.021 0.000 2.479 355 L HA 0.106 4.446 4.340 -0.000 0.000 0.248 355 L C 1.080 177.963 176.870 0.022 0.000 1.205 355 L CA -0.457 54.394 54.840 0.018 0.000 0.817 355 L CB 0.404 42.471 42.059 0.013 0.000 1.162 355 L HN 0.108 nan 8.230 nan 0.000 0.486 356 T N -2.989 111.576 114.554 0.018 0.000 2.849 356 T HA 0.133 4.483 4.350 -0.000 0.000 0.284 356 T C 0.860 175.585 174.700 0.041 0.000 1.004 356 T CA -0.681 61.434 62.100 0.025 0.000 1.021 356 T CB 1.328 70.207 68.868 0.017 0.000 1.013 356 T HN 0.653 nan 8.240 nan 0.000 0.527 357 K N 0.363 120.803 120.400 0.067 0.000 2.044 357 K HA -0.215 4.105 4.320 -0.000 0.000 0.210 357 K C 1.940 178.586 176.600 0.076 0.000 1.049 357 K CA 1.983 58.350 56.287 0.134 0.000 0.927 357 K CB -0.221 32.368 32.500 0.148 0.000 0.713 357 K HN 0.701 nan 8.250 nan 0.000 0.443 358 E N 0.711 120.926 120.200 0.025 0.000 2.110 358 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 358 E C 1.819 178.376 176.600 -0.072 0.000 0.988 358 E CA 1.459 57.839 56.400 -0.033 0.000 0.804 358 E CB 0.004 29.697 29.700 -0.012 0.000 0.745 358 E HN 0.407 nan 8.360 nan 0.000 0.458 359 E N 0.192 120.367 120.200 -0.040 0.000 2.077 359 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 359 E C 2.138 178.693 176.600 -0.074 0.000 0.989 359 E CA 0.733 57.105 56.400 -0.047 0.000 0.800 359 E CB -0.020 29.668 29.700 -0.020 0.000 0.746 359 E HN 0.126 nan 8.360 nan 0.000 0.452 360 R N 0.262 120.724 120.500 -0.064 0.000 2.075 360 R HA -0.125 4.215 4.340 -0.000 0.000 0.232 360 R C 2.466 178.619 176.300 -0.244 0.000 1.126 360 R CA 0.762 56.813 56.100 -0.081 0.000 0.963 360 R CB -0.334 29.987 30.300 0.036 0.000 0.858 360 R HN 0.123 nan 8.270 nan 0.000 0.435 361 L N 1.815 122.773 121.223 -0.441 0.000 2.012 361 L HA -0.222 4.118 4.340 -0.000 0.000 0.210 361 L C 2.203 178.857 176.870 -0.359 0.000 1.073 361 L CA 1.915 56.339 54.840 -0.693 0.000 0.748 361 L CB -0.473 41.123 42.059 -0.771 0.000 0.891 361 L HN 0.003 nan 8.230 nan 0.000 0.431 362 K N -0.509 119.755 120.400 -0.226 0.000 2.026 362 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 362 K C 2.172 178.686 176.600 -0.144 0.000 1.048 362 K CA 1.758 57.959 56.287 -0.143 0.000 0.929 362 K CB -0.102 32.342 32.500 -0.092 0.000 0.713 362 K HN 0.341 nan 8.250 nan 0.000 0.439 363 K N 0.190 120.502 120.400 -0.147 0.000 2.057 363 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 363 K C 2.110 178.576 176.600 -0.224 0.000 1.049 363 K CA 1.217 57.421 56.287 -0.139 0.000 0.931 363 K CB -0.123 32.316 32.500 -0.100 0.000 0.714 363 K HN 0.052 nan 8.250 nan 0.000 0.440 364 L N 0.853 121.886 121.223 -0.315 0.000 2.017 364 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 364 L C 2.473 178.915 176.870 -0.713 0.000 1.073 364 L CA 1.536 56.017 54.840 -0.597 0.000 0.745 364 L CB -0.734 41.008 42.059 -0.528 0.000 0.894 364 L HN 0.238 nan 8.230 nan 0.000 0.432 365 C N -0.685 118.418 119.300 -0.328 0.000 2.429 365 C HA -0.157 4.303 4.460 -0.000 0.000 0.277 365 C C 2.647 177.612 174.990 -0.041 0.000 1.262 365 C CA 0.623 59.598 59.018 -0.072 0.000 1.733 365 C CB -0.795 26.956 27.740 0.018 0.000 2.010 365 C HN 0.552 nan 8.230 nan 0.000 0.483 366 E N 0.291 120.438 120.200 -0.088 0.000 2.106 366 E HA -0.200 4.150 4.350 -0.000 0.000 0.192 366 E C 1.998 178.566 176.600 -0.053 0.000 0.984 366 E CA 0.863 57.234 56.400 -0.047 0.000 0.806 366 E CB -0.272 29.400 29.700 -0.047 0.000 0.750 366 E HN 0.505 nan 8.360 nan 0.000 0.458 367 L N 0.460 121.606 121.223 -0.129 0.000 1.989 367 L HA -0.216 4.124 4.340 -0.000 0.000 0.211 367 L C 2.016 178.893 176.870 0.011 0.000 1.071 367 L CA 1.775 56.550 54.840 -0.108 0.000 0.749 367 L CB -0.617 41.336 42.059 -0.178 0.000 0.890 367 L HN 0.206 nan 8.230 nan 0.000 0.431 368 Y N -0.853 119.433 120.300 -0.022 0.000 2.224 368 Y HA -0.218 4.332 4.550 -0.000 0.000 0.289 368 Y C 2.509 178.421 175.900 0.019 0.000 1.146 368 Y CA 0.250 58.341 58.100 -0.015 0.000 1.182 368 Y CB -0.477 38.011 38.460 0.048 0.000 0.983 368 Y HN 0.390 nan 8.280 nan 0.000 0.524 369 A N 0.565 123.495 122.820 0.184 0.000 1.902 369 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 369 A C 2.123 179.757 177.584 0.083 0.000 1.181 369 A CA 1.676 53.786 52.037 0.122 0.000 0.623 369 A CB -0.493 18.550 19.000 0.073 0.000 0.818 369 A HN 0.346 nan 8.150 nan 0.000 0.443 370 K N -0.594 119.832 120.400 0.043 0.000 2.002 370 K HA -0.091 4.229 4.320 -0.000 0.000 0.209 370 K C 1.920 178.521 176.600 0.001 0.000 1.048 370 K CA 1.660 57.960 56.287 0.021 0.000 0.930 370 K CB -0.324 32.164 32.500 -0.020 0.000 0.714 370 K HN 0.297 nan 8.250 nan 0.000 0.438 371 V N 1.444 121.301 119.914 -0.095 0.000 2.453 371 V HA -0.180 3.940 4.120 -0.000 0.000 0.247 371 V C 2.015 178.067 176.094 -0.070 0.000 1.048 371 V CA 1.439 63.641 62.300 -0.162 0.000 1.049 371 V CB -0.282 31.392 31.823 -0.248 0.000 0.672 371 V HN 0.280 nan 8.190 nan 0.000 0.457 372 L N 0.417 121.634 121.223 -0.010 0.000 2.554 372 L HA 0.285 4.625 4.340 -0.000 0.000 0.226 372 L C 1.639 178.646 176.870 0.229 0.000 1.137 372 L CA 0.741 55.618 54.840 0.061 0.000 0.863 372 L CB -0.665 41.510 42.059 0.193 0.000 0.985 372 L HN 0.535 nan 8.230 nan 0.000 0.451 373 G N 0.800 109.694 108.800 0.156 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 -0.075 174.916 174.900 0.152 0.000 1.040 373 G CA 0.467 45.657 45.100 0.151 0.000 0.942 373 G HN 0.344 nan 8.290 nan 0.000 0.506 374 S N -0.838 114.945 115.700 0.139 0.000 2.672 374 S HA 0.472 4.942 4.470 -0.000 0.000 0.291 374 S C 1.149 175.729 174.600 -0.034 0.000 1.145 374 S CA -0.780 57.463 58.200 0.072 0.000 1.013 374 S CB 1.788 65.092 63.200 0.174 0.000 1.017 374 S HN 0.235 nan 8.310 nan 0.000 0.487 375 L N 1.907 123.085 121.223 -0.074 0.000 2.265 375 L HA -0.084 4.256 4.340 -0.000 0.000 0.215 375 L C 2.123 178.884 176.870 -0.182 0.000 1.117 375 L CA 1.177 55.965 54.840 -0.088 0.000 0.782 375 L CB -0.341 41.681 42.059 -0.062 0.000 0.914 375 L HN 0.710 nan 8.230 nan 0.000 0.441 376 E N 0.401 120.360 120.200 -0.402 0.000 2.265 376 E HA -0.177 4.173 4.350 -0.000 0.000 0.196 376 E C 2.223 178.432 176.600 -0.651 0.000 0.996 376 E CA 0.893 56.891 56.400 -0.670 0.000 0.832 376 E CB -0.093 28.858 29.700 -1.249 0.000 0.756 376 E HN 0.505 nan 8.360 nan 0.000 0.491 377 A N 0.786 123.335 122.820 -0.451 0.000 2.121 377 A HA -0.078 4.242 4.320 -0.000 0.000 0.218 377 A C 1.898 179.651 177.584 0.282 0.000 1.154 377 A CA 0.685 52.746 52.037 0.039 0.000 0.679 377 A CB -0.284 18.876 19.000 0.267 0.000 0.795 377 A HN 0.162 nan 8.150 nan 0.000 0.458 378 L N -1.170 120.122 121.223 0.116 0.000 2.591 378 L HA 0.124 4.464 4.340 -0.000 0.000 0.228 378 L C 0.315 177.263 176.870 0.131 0.000 1.133 378 L CA 0.264 55.171 54.840 0.112 0.000 0.880 378 L CB -0.011 42.071 42.059 0.039 0.000 1.033 378 L HN 0.210 nan 8.230 nan 0.000 0.450 379 E N 0.914 121.239 120.200 0.209 0.000 3.406 379 E HA 0.192 4.542 4.350 -0.000 0.000 0.210 379 E C -2.253 174.517 176.600 0.284 0.000 1.167 379 E CA -1.731 54.782 56.400 0.187 0.000 1.132 379 E CB 0.678 30.444 29.700 0.110 0.000 1.309 379 E HN 0.045 nan 8.360 nan 0.000 0.424 380 P HA -0.030 nan 4.420 nan 0.000 0.272 380 P C 0.750 178.086 177.300 0.061 0.000 1.223 380 P CA -0.080 62.998 63.100 -0.037 0.000 0.784 380 P CB 1.618 33.249 31.700 -0.116 0.000 0.923 381 V N -1.848 118.120 119.914 0.089 0.000 3.644 381 V HA 0.313 4.433 4.120 -0.000 0.000 0.267 381 V C 0.458 176.682 176.094 0.217 0.000 1.277 381 V CA 0.754 63.141 62.300 0.144 0.000 1.096 381 V CB -1.220 30.692 31.823 0.148 0.000 0.828 381 V HN 0.685 nan 8.190 nan 0.000 0.446 382 H N -1.152 117.989 119.070 0.118 0.000 2.987 382 H HA 0.607 5.163 4.556 -0.000 0.000 0.316 382 H C -2.316 173.221 175.328 0.347 0.000 1.380 382 H CA -0.682 55.453 56.048 0.145 0.000 1.160 382 H CB 1.879 31.624 29.762 -0.028 0.000 1.865 382 H HN 0.149 nan 8.280 nan 0.000 0.521 383 Y N 1.678 121.719 120.300 -0.431 0.000 2.441 383 Y HA 0.498 5.048 4.550 -0.000 0.000 0.334 383 Y C -1.700 174.081 175.900 -0.199 0.000 1.061 383 Y CA -0.638 57.383 58.100 -0.131 0.000 1.032 383 Y CB 1.704 40.099 38.460 -0.109 0.000 1.266 383 Y HN 0.619 nan 8.280 nan 0.000 0.441 384 E N 4.606 124.559 120.200 -0.413 0.000 2.293 384 E HA 0.417 4.767 4.350 -0.000 0.000 0.270 384 E C -1.435 174.813 176.600 -0.586 0.000 0.879 384 E CA -0.789 55.378 56.400 -0.389 0.000 0.756 384 E CB 2.776 32.484 29.700 0.013 0.000 1.208 384 E HN 0.783 nan 8.360 nan 0.000 0.428 385 E N 0.418 120.369 120.200 -0.414 0.000 2.412 385 E HA 0.702 5.052 4.350 -0.000 0.000 0.279 385 E C -1.219 175.337 176.600 -0.073 0.000 0.984 385 E CA -1.108 55.151 56.400 -0.234 0.000 0.788 385 E CB 2.385 31.929 29.700 -0.261 0.000 1.277 385 E HN 0.127 nan 8.360 nan 0.000 0.455 386 K N 1.225 121.634 120.400 0.015 0.000 2.581 386 K HA 0.312 4.632 4.320 -0.000 0.000 0.249 386 K C -1.803 174.779 176.600 -0.031 0.000 0.966 386 K CA -0.583 55.656 56.287 -0.081 0.000 0.811 386 K CB 1.567 33.977 32.500 -0.150 0.000 1.223 386 K HN 0.509 nan 8.250 nan 0.000 0.438 387 N N 4.330 122.971 118.700 -0.098 0.000 2.462 387 N HA 0.139 4.879 4.740 -0.000 0.000 0.242 387 N C -0.339 175.136 175.510 -0.058 0.000 1.010 387 N CA -0.405 52.652 53.050 0.012 0.000 0.939 387 N CB 0.306 38.806 38.487 0.022 0.000 1.127 387 N HN 0.693 nan 8.380 nan 0.000 0.509 388 W N 2.158 123.508 121.300 0.082 0.000 2.699 388 W HA 0.057 4.717 4.660 -0.000 0.000 0.249 388 W C 1.949 178.494 176.519 0.044 0.000 1.280 388 W CA -0.099 57.289 57.345 0.071 0.000 1.345 388 W CB -0.165 29.356 29.460 0.102 0.000 1.128 388 W HN 0.586 nan 8.180 nan 0.000 0.642 389 C N 0.489 119.907 119.300 0.196 0.000 2.419 389 C HA -0.169 4.291 4.460 -0.000 0.000 0.283 389 C C 2.356 177.380 174.990 0.058 0.000 1.373 389 C CA 1.447 60.534 59.018 0.115 0.000 1.781 389 C CB -1.465 26.326 27.740 0.084 0.000 1.886 389 C HN 0.498 nan 8.230 nan 0.000 0.520 390 E N 0.821 121.034 120.200 0.021 0.000 2.478 390 E HA -0.008 4.342 4.350 -0.000 0.000 0.194 390 E C -0.050 176.528 176.600 -0.036 0.000 1.045 390 E CA 0.404 56.791 56.400 -0.022 0.000 0.868 390 E CB -0.178 29.493 29.700 -0.049 0.000 0.885 390 E HN 0.511 nan 8.360 nan 0.000 0.505 391 E N 2.158 122.356 120.200 -0.002 0.000 2.129 391 E HA -0.012 4.338 4.350 -0.000 0.000 0.283 391 E C 0.466 177.057 176.600 -0.014 0.000 1.080 391 E CA -0.006 56.397 56.400 0.005 0.000 0.867 391 E CB 1.550 31.310 29.700 0.100 0.000 1.056 391 E HN 0.344 nan 8.360 nan 0.000 0.404 392 Q N 2.986 122.718 119.800 -0.114 0.000 2.135 392 Q HA -0.191 4.149 4.340 -0.000 0.000 0.204 392 Q C 0.374 176.145 176.000 -0.380 0.000 0.981 392 Q CA 1.629 57.247 55.803 -0.308 0.000 0.856 392 Q CB 0.094 28.521 28.738 -0.518 0.000 0.902 392 Q HN 0.597 nan 8.270 nan 0.000 0.425 393 Y N -0.921 119.409 120.300 0.050 0.000 2.524 393 Y HA 0.253 4.803 4.550 -0.000 0.000 0.266 393 Y C 1.554 177.514 175.900 0.101 0.000 1.180 393 Y CA -0.264 57.875 58.100 0.064 0.000 1.244 393 Y CB 0.880 39.371 38.460 0.051 0.000 1.125 393 Y HN 0.075 nan 8.280 nan 0.000 0.524 394 S N -1.540 114.286 115.700 0.211 0.000 2.891 394 S HA 0.294 4.764 4.470 -0.000 0.000 0.247 394 S C 1.857 176.539 174.600 0.137 0.000 1.063 394 S CA 0.613 58.943 58.200 0.216 0.000 0.857 394 S CB 0.487 63.897 63.200 0.350 0.000 0.800 394 S HN 0.531 nan 8.310 nan 0.000 0.540 395 G N 0.938 109.802 108.800 0.105 0.000 2.217 395 G HA2 0.092 4.052 3.960 -0.000 0.000 0.246 395 G HA3 0.092 4.052 3.960 -0.000 0.000 0.246 395 G C 0.479 175.425 174.900 0.076 0.000 0.990 395 G CA 0.038 45.169 45.100 0.052 0.000 0.627 395 G HN 1.358 nan 8.290 nan 0.000 0.522 396 G N -2.315 106.571 108.800 0.144 0.000 2.352 396 G HA2 0.516 4.476 3.960 -0.000 0.000 0.283 396 G HA3 0.516 4.476 3.960 -0.000 0.000 0.283 396 G C -1.000 173.989 174.900 0.149 0.000 1.308 396 G CA 0.324 45.519 45.100 0.158 0.000 0.892 396 G HN 1.463 nan 8.290 nan 0.000 0.504 397 C N -1.558 117.787 119.300 0.075 0.000 3.285 397 C HA 0.603 5.063 4.460 -0.000 0.000 0.325 397 C C 0.741 175.622 174.990 -0.181 0.000 1.304 397 C CA -0.644 58.352 59.018 -0.038 0.000 1.319 397 C CB 0.838 28.462 27.740 -0.192 0.000 1.640 397 C HN 0.721 nan 8.230 nan 0.000 0.477 398 Y N 0.618 120.851 120.300 -0.112 0.000 2.395 398 Y HA 0.239 4.789 4.550 -0.000 0.000 0.293 398 Y C 1.550 177.411 175.900 -0.064 0.000 1.123 398 Y CA 1.035 59.037 58.100 -0.164 0.000 1.227 398 Y CB -0.429 37.906 38.460 -0.209 0.000 1.012 398 Y HN 0.681 nan 8.280 nan 0.000 0.552 399 T N -1.890 112.739 114.554 0.125 0.000 2.711 399 T HA 0.321 4.671 4.350 -0.000 0.000 0.302 399 T C -0.849 173.947 174.700 0.161 0.000 1.373 399 T CA -0.716 61.497 62.100 0.187 0.000 1.000 399 T CB 0.979 70.045 68.868 0.329 0.000 1.483 399 T HN -0.154 nan 8.240 nan 0.000 0.499 400 T N 2.744 117.407 114.554 0.182 0.000 2.851 400 T HA 0.457 4.807 4.350 -0.000 0.000 0.298 400 T C -0.724 173.996 174.700 0.035 0.000 0.977 400 T CA 0.096 62.215 62.100 0.031 0.000 1.126 400 T CB -0.415 68.466 68.868 0.022 0.000 0.916 400 T HN 0.468 nan 8.240 nan 0.000 0.529 401 Y N 0.929 121.019 120.300 -0.350 0.000 2.496 401 Y HA 0.787 5.337 4.550 -0.000 0.000 0.331 401 Y C -1.245 174.099 175.900 -0.927 0.000 1.140 401 Y CA -2.240 55.298 58.100 -0.937 0.000 1.166 401 Y CB 0.787 38.837 38.460 -0.682 0.000 1.249 401 Y HN 0.401 nan 8.280 nan 0.000 0.479 402 F N 3.278 122.460 119.950 -1.279 0.000 2.402 402 F HA 0.560 5.087 4.527 -0.000 0.000 0.355 402 F C -2.306 173.394 175.800 -0.166 0.000 1.123 402 F CA -2.764 54.863 58.000 -0.622 0.000 1.021 402 F CB 1.446 40.130 39.000 -0.526 0.000 1.160 402 F HN 0.364 nan 8.300 nan 0.000 0.451 403 P HA 0.111 nan 4.420 nan 0.000 0.273 403 P C -2.553 174.845 177.300 0.165 0.000 1.250 403 P CA -1.148 62.033 63.100 0.134 0.000 0.793 403 P CB -0.184 31.544 31.700 0.047 0.000 1.011 404 P HA -0.014 nan 4.420 nan 0.000 0.265 404 P C 0.912 178.303 177.300 0.152 0.000 1.193 404 P CA 1.197 64.398 63.100 0.168 0.000 0.765 404 P CB -0.071 31.710 31.700 0.135 0.000 0.823 405 G N 2.785 111.689 108.800 0.173 0.000 2.225 405 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.254 405 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.254 405 G C 0.808 175.825 174.900 0.195 0.000 0.988 405 G CA 0.097 45.290 45.100 0.156 0.000 0.625 405 G HN 0.436 nan 8.290 nan 0.000 0.527 406 I N 0.131 120.848 120.570 0.246 0.000 2.400 406 I HA 0.149 4.319 4.170 -0.000 0.000 0.248 406 I C 2.627 178.994 176.117 0.415 0.000 1.109 406 I CA 1.282 62.783 61.300 0.336 0.000 1.425 406 I CB -1.170 36.947 38.000 0.195 0.000 1.094 406 I HN 0.278 nan 8.210 nan 0.000 0.425 407 L N 1.190 122.642 121.223 0.382 0.000 2.046 407 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 407 L C 2.647 179.603 176.870 0.144 0.000 1.077 407 L CA 2.507 57.454 54.840 0.178 0.000 0.747 407 L CB -0.967 41.101 42.059 0.015 0.000 0.896 407 L HN 0.421 nan 8.230 nan 0.000 0.432 408 T N -4.101 110.543 114.554 0.150 0.000 2.821 408 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 408 T C 1.809 176.478 174.700 -0.053 0.000 1.046 408 T CA 1.015 63.174 62.100 0.098 0.000 1.139 408 T CB -0.355 68.573 68.868 0.101 0.000 0.871 408 T HN 0.355 nan 8.240 nan 0.000 0.454 409 Q N -0.078 119.685 119.800 -0.063 0.000 2.212 409 Q HA 0.109 4.449 4.340 -0.000 0.000 0.199 409 Q C 1.166 176.847 176.000 -0.532 0.000 0.950 409 Q CA 1.177 56.798 55.803 -0.304 0.000 0.863 409 Q CB -0.009 28.531 28.738 -0.330 0.000 0.944 409 Q HN 0.775 nan 8.270 nan 0.000 0.465 410 Y N -1.703 118.536 120.300 -0.103 0.000 2.471 410 Y HA 0.265 4.815 4.550 -0.000 0.000 0.249 410 Y C 2.029 177.817 175.900 -0.186 0.000 1.116 410 Y CA 0.080 58.104 58.100 -0.127 0.000 1.240 410 Y CB 0.214 38.639 38.460 -0.058 0.000 1.251 410 Y HN 0.082 nan 8.280 nan 0.000 0.527 411 G N 1.702 110.425 108.800 -0.128 0.000 2.442 411 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.219 411 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.219 411 G C 1.769 176.227 174.900 -0.737 0.000 1.141 411 G CA 1.191 46.123 45.100 -0.280 0.000 0.763 411 G HN 0.401 nan 8.290 nan 0.000 0.554 412 R N 0.402 120.170 120.500 -1.220 0.000 2.237 412 R HA 0.063 4.403 4.340 -0.000 0.000 0.219 412 R C 2.130 178.201 176.300 -0.381 0.000 1.080 412 R CA 1.372 56.834 56.100 -1.064 0.000 0.995 412 R CB -0.728 28.962 30.300 -1.018 0.000 0.875 412 R HN 0.377 nan 8.270 nan 0.000 0.462 413 V N 0.871 120.619 119.914 -0.277 0.000 3.406 413 V HA 0.017 4.137 4.120 -0.000 0.000 0.263 413 V C 1.992 177.988 176.094 -0.163 0.000 1.172 413 V CA 0.495 62.694 62.300 -0.168 0.000 1.140 413 V CB -0.236 31.505 31.823 -0.136 0.000 0.784 413 V HN 0.301 nan 8.190 nan 0.000 0.467 414 L N 1.158 122.322 121.223 -0.099 0.000 1.997 414 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 414 L C 2.668 179.488 176.870 -0.084 0.000 1.074 414 L CA 2.716 57.520 54.840 -0.060 0.000 0.763 414 L CB -0.307 41.817 42.059 0.109 0.000 0.890 414 L HN 0.506 nan 8.230 nan 0.000 0.434 415 R N -0.602 119.945 120.500 0.079 0.000 2.546 415 R HA 0.136 4.476 4.340 -0.000 0.000 0.320 415 R C 0.540 176.989 176.300 0.247 0.000 1.021 415 R CA -0.208 56.022 56.100 0.217 0.000 1.088 415 R CB -0.081 30.407 30.300 0.314 0.000 1.278 415 R HN 0.250 nan 8.270 nan 0.000 0.557 416 Q N 2.681 122.550 119.800 0.115 0.000 2.286 416 Q HA 0.203 4.543 4.340 -0.000 0.000 0.267 416 Q C -2.125 173.989 176.000 0.190 0.000 1.028 416 Q CA -2.147 53.725 55.803 0.114 0.000 0.901 416 Q CB 0.863 29.612 28.738 0.018 0.000 1.183 416 Q HN 0.017 nan 8.270 nan 0.000 0.392 417 P HA -0.052 nan 4.420 nan 0.000 0.267 417 P C -1.263 176.033 177.300 -0.006 0.000 1.200 417 P CA -0.056 62.991 63.100 -0.089 0.000 0.772 417 P CB 0.649 32.043 31.700 -0.510 0.000 0.855 418 V N 3.319 123.233 119.914 -0.001 0.000 2.257 418 V HA 0.152 4.272 4.120 -0.000 0.000 0.269 418 V C 0.668 176.722 176.094 -0.068 0.000 1.040 418 V CA 0.128 62.431 62.300 0.004 0.000 0.813 418 V CB 0.019 31.888 31.823 0.076 0.000 1.065 418 V HN 0.790 nan 8.190 nan 0.000 0.457 419 D N 4.069 124.433 120.400 -0.060 0.000 4.438 419 D HA -0.304 4.336 4.640 -0.000 0.000 0.158 419 D C 1.323 177.603 176.300 -0.034 0.000 0.686 419 D CA 2.382 56.364 54.000 -0.030 0.000 1.183 419 D CB -0.291 40.506 40.800 -0.006 0.000 0.623 419 D HN 0.557 nan 8.370 nan 0.000 0.521 420 R N -0.084 120.420 120.500 0.007 0.000 2.468 420 R HA 0.451 4.791 4.340 -0.000 0.000 0.280 420 R C -0.224 176.164 176.300 0.146 0.000 0.963 420 R CA -0.140 56.057 56.100 0.161 0.000 1.083 420 R CB 0.411 30.751 30.300 0.067 0.000 1.200 420 R HN 0.293 nan 8.270 nan 0.000 0.541 421 I N 1.222 121.722 120.570 -0.116 0.000 2.315 421 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 421 I C -0.578 175.173 176.117 -0.611 0.000 1.006 421 I CA -0.716 60.436 61.300 -0.246 0.000 1.265 421 I CB 0.696 38.527 38.000 -0.283 0.000 1.387 421 I HN -0.079 nan 8.210 nan 0.000 0.475 422 Y N 5.273 125.337 120.300 -0.393 0.000 2.528 422 Y HA 0.547 5.097 4.550 -0.000 0.000 0.335 422 Y C -0.522 175.051 175.900 -0.544 0.000 1.093 422 Y CA -0.751 57.145 58.100 -0.340 0.000 1.134 422 Y CB 1.476 39.859 38.460 -0.127 0.000 1.253 422 Y HN 0.283 nan 8.280 nan 0.000 0.478 423 F N 1.160 121.222 119.950 0.186 0.000 2.427 423 F HA 0.704 5.231 4.527 -0.000 0.000 0.348 423 F C 0.388 176.266 175.800 0.130 0.000 1.125 423 F CA -0.610 57.471 58.000 0.135 0.000 0.989 423 F CB 1.082 40.145 39.000 0.105 0.000 1.165 423 F HN 0.603 nan 8.300 nan 0.000 0.442 424 A N 2.312 125.280 122.820 0.246 0.000 3.322 424 A HA 0.954 5.274 4.320 -0.000 0.000 0.201 424 A C 0.398 178.113 177.584 0.217 0.000 1.668 424 A CA -0.386 51.762 52.037 0.185 0.000 0.861 424 A CB -0.028 19.039 19.000 0.111 0.000 1.769 424 A HN 1.487 nan 8.150 nan 0.000 0.578 425 G N -2.542 106.365 108.800 0.178 0.000 2.785 425 G HA2 0.092 4.052 3.960 -0.000 0.000 0.686 425 G HA3 0.092 4.052 3.960 -0.000 0.000 0.686 425 G C 0.420 175.451 174.900 0.218 0.000 1.155 425 G CA 0.606 45.819 45.100 0.189 0.000 0.760 425 G HN 1.542 nan 8.290 nan 0.000 0.624 426 T N 0.231 114.915 114.554 0.217 0.000 2.849 426 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 426 T C 2.105 177.006 174.700 0.335 0.000 1.066 426 T CA 2.685 64.939 62.100 0.258 0.000 1.130 426 T CB -0.171 68.844 68.868 0.245 0.000 0.864 426 T HN 0.625 nan 8.240 nan 0.000 0.481 427 E N 0.470 120.874 120.200 0.340 0.000 2.265 427 E HA -0.063 4.287 4.350 -0.000 0.000 0.196 427 E C 2.241 179.100 176.600 0.432 0.000 0.996 427 E CA 1.525 58.180 56.400 0.424 0.000 0.832 427 E CB -0.187 29.727 29.700 0.356 0.000 0.756 427 E HN 0.714 nan 8.360 nan 0.000 0.491 428 T N -2.568 112.203 114.554 0.361 0.000 3.107 428 T HA 0.435 4.785 4.350 -0.000 0.000 0.249 428 T C 0.841 175.780 174.700 0.398 0.000 1.096 428 T CA 0.025 62.339 62.100 0.357 0.000 1.012 428 T CB 0.172 69.225 68.868 0.309 0.000 0.977 428 T HN 0.098 nan 8.240 nan 0.000 0.527 429 A N 1.780 124.838 122.820 0.397 0.000 2.346 429 A HA 0.527 4.847 4.320 -0.000 0.000 0.252 429 A C 1.516 179.373 177.584 0.455 0.000 1.089 429 A CA 0.171 52.444 52.037 0.394 0.000 0.797 429 A CB 0.272 19.466 19.000 0.322 0.000 1.047 429 A HN 0.522 nan 8.150 nan 0.000 0.494 430 T N -2.592 112.212 114.554 0.415 0.000 3.044 430 T HA 0.243 4.593 4.350 -0.000 0.000 0.260 430 T C 0.229 175.048 174.700 0.198 0.000 1.019 430 T CA 0.631 62.932 62.100 0.336 0.000 0.921 430 T CB -0.371 68.638 68.868 0.236 0.000 1.053 430 T HN 0.755 nan 8.240 nan 0.000 0.533 431 H N -1.019 118.091 119.070 0.068 0.000 2.934 431 H HA 0.271 4.827 4.556 -0.000 0.000 0.340 431 H C -0.983 174.381 175.328 0.061 0.000 1.008 431 H CA -1.092 54.925 56.048 -0.052 0.000 1.317 431 H CB 0.929 30.717 29.762 0.044 0.000 1.670 431 H HN 0.300 nan 8.280 nan 0.000 0.516 432 W N 2.216 123.268 121.300 -0.413 0.000 5.538 432 W HA -0.250 4.410 4.660 -0.000 0.000 0.377 432 W C 0.513 176.978 176.519 -0.089 0.000 1.406 432 W CA 0.982 58.057 57.345 -0.450 0.000 0.940 432 W CB -1.690 27.414 29.460 -0.594 0.000 2.536 432 W HN 0.400 nan 8.180 nan 0.000 1.504 433 S N 0.528 116.274 115.700 0.076 0.000 2.558 433 S HA 0.376 4.846 4.470 -0.000 0.000 0.293 433 S C 1.406 176.224 174.600 0.363 0.000 1.292 433 S CA 1.728 60.083 58.200 0.258 0.000 1.063 433 S CB 0.768 64.180 63.200 0.353 0.000 0.831 433 S HN 1.419 nan 8.310 nan 0.000 0.499 434 G N 3.131 112.212 108.800 0.468 0.000 2.232 434 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.226 434 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.226 434 G C -0.214 174.805 174.900 0.199 0.000 0.996 434 G CA 0.186 45.565 45.100 0.464 0.000 0.626 434 G HN 0.687 nan 8.290 nan 0.000 0.509 435 Y N -0.300 120.121 120.300 0.202 0.000 2.602 435 Y HA 0.714 5.264 4.550 -0.000 0.000 0.330 435 Y C 1.995 177.941 175.900 0.077 0.000 1.114 435 Y CA -0.742 57.427 58.100 0.116 0.000 1.182 435 Y CB 0.885 39.404 38.460 0.098 0.000 1.305 435 Y HN -0.020 nan 8.280 nan 0.000 0.502 436 M N -0.099 119.612 119.600 0.185 0.000 2.106 436 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 436 M C 1.876 178.240 176.300 0.108 0.000 1.068 436 M CA 2.049 57.422 55.300 0.121 0.000 1.100 436 M CB -0.265 32.399 32.600 0.106 0.000 1.351 436 M HN 0.795 nan 8.290 nan 0.000 0.404 437 E N 0.721 120.962 120.200 0.068 0.000 2.049 437 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 437 E C 1.950 178.616 176.600 0.109 0.000 1.007 437 E CA 2.145 58.552 56.400 0.012 0.000 0.809 437 E CB -0.727 28.852 29.700 -0.202 0.000 0.749 437 E HN 0.439 nan 8.360 nan 0.000 0.450 438 G N 0.044 108.959 108.800 0.192 0.000 2.422 438 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.218 438 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.218 438 G C 1.714 176.730 174.900 0.195 0.000 1.146 438 G CA 1.218 46.453 45.100 0.225 0.000 0.769 438 G HN 0.488 nan 8.290 nan 0.000 0.547 439 A N 0.258 123.180 122.820 0.171 0.000 1.883 439 A HA 0.022 4.342 4.320 -0.000 0.000 0.217 439 A C 2.627 180.274 177.584 0.105 0.000 1.186 439 A CA 2.000 54.119 52.037 0.138 0.000 0.624 439 A CB -0.709 18.361 19.000 0.116 0.000 0.822 439 A HN 0.278 nan 8.150 nan 0.000 0.444 440 V N 0.154 120.122 119.914 0.089 0.000 2.295 440 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 440 V C 2.552 178.687 176.094 0.068 0.000 1.049 440 V CA 2.287 64.625 62.300 0.064 0.000 1.024 440 V CB -0.848 31.006 31.823 0.052 0.000 0.648 440 V HN 0.751 nan 8.190 nan 0.000 0.447 441 E N 0.439 120.699 120.200 0.101 0.000 2.070 441 E HA -0.288 4.062 4.350 -0.000 0.000 0.197 441 E C 2.211 178.851 176.600 0.068 0.000 1.004 441 E CA 1.825 58.293 56.400 0.113 0.000 0.805 441 E CB -0.193 29.623 29.700 0.193 0.000 0.744 441 E HN 0.557 nan 8.360 nan 0.000 0.451 442 A N 0.545 123.426 122.820 0.101 0.000 1.929 442 A HA -0.020 4.300 4.320 -0.000 0.000 0.216 442 A C 2.388 179.991 177.584 0.032 0.000 1.176 442 A CA 1.542 53.628 52.037 0.081 0.000 0.628 442 A CB -0.890 18.207 19.000 0.161 0.000 0.816 442 A HN 0.445 nan 8.150 nan 0.000 0.444 443 G N -0.315 108.510 108.800 0.042 0.000 2.404 443 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.215 443 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.215 443 G C 1.433 176.319 174.900 -0.024 0.000 1.174 443 G CA 0.943 46.055 45.100 0.020 0.000 0.780 443 G HN 0.636 nan 8.290 nan 0.000 0.537 444 E N -0.190 119.992 120.200 -0.030 0.000 2.106 444 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 444 E C 2.526 179.053 176.600 -0.123 0.000 0.984 444 E CA 0.311 56.677 56.400 -0.057 0.000 0.806 444 E CB -0.118 29.564 29.700 -0.030 0.000 0.750 444 E HN 0.287 nan 8.360 nan 0.000 0.458 445 R N 1.065 121.457 120.500 -0.180 0.000 2.073 445 R HA -0.130 4.210 4.340 -0.000 0.000 0.234 445 R C 2.221 178.343 176.300 -0.296 0.000 1.134 445 R CA 1.410 57.291 56.100 -0.365 0.000 0.952 445 R CB -0.250 29.675 30.300 -0.625 0.000 0.850 445 R HN 0.139 nan 8.270 nan 0.000 0.433 446 A N 0.899 123.616 122.820 -0.171 0.000 1.902 446 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 446 A C 2.407 179.881 177.584 -0.182 0.000 1.181 446 A CA 1.778 53.753 52.037 -0.104 0.000 0.623 446 A CB -0.751 18.250 19.000 0.000 0.000 0.818 446 A HN 0.547 nan 8.150 nan 0.000 0.443 447 A N -0.065 122.665 122.820 -0.150 0.000 1.883 447 A HA -0.211 4.109 4.320 -0.000 0.000 0.217 447 A C 2.245 179.705 177.584 -0.207 0.000 1.186 447 A CA 1.676 53.616 52.037 -0.161 0.000 0.624 447 A CB -0.511 18.430 19.000 -0.098 0.000 0.822 447 A HN 0.561 nan 8.150 nan 0.000 0.444 448 R N -0.436 119.950 120.500 -0.190 0.000 2.148 448 R HA -0.099 4.240 4.340 -0.000 0.000 0.227 448 R C 2.045 178.223 176.300 -0.202 0.000 1.103 448 R CA 1.300 57.295 56.100 -0.176 0.000 0.983 448 R CB -0.290 29.915 30.300 -0.157 0.000 0.874 448 R HN 0.692 nan 8.270 nan 0.000 0.451 449 E N 0.687 120.725 120.200 -0.271 0.000 2.085 449 E HA -0.193 4.157 4.350 -0.000 0.000 0.194 449 E C 1.974 178.266 176.600 -0.513 0.000 0.994 449 E CA 1.146 57.372 56.400 -0.290 0.000 0.801 449 E CB -0.104 29.450 29.700 -0.243 0.000 0.743 449 E HN 0.343 nan 8.360 nan 0.000 0.453 450 I N 0.964 121.092 120.570 -0.736 0.000 2.252 450 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 450 I C 2.333 178.132 176.117 -0.530 0.000 1.102 450 I CA 0.824 61.597 61.300 -0.879 0.000 1.385 450 I CB -0.166 37.349 38.000 -0.809 0.000 1.064 450 I HN 0.108 nan 8.210 nan 0.000 0.414 451 L N -0.026 121.011 121.223 -0.311 0.000 2.042 451 L HA -0.292 4.048 4.340 -0.000 0.000 0.210 451 L C 2.734 179.535 176.870 -0.114 0.000 1.076 451 L CA 1.695 56.430 54.840 -0.174 0.000 0.749 451 L CB -0.904 41.089 42.059 -0.109 0.000 0.893 451 L HN 0.364 nan 8.230 nan 0.000 0.432 452 H N 0.041 119.002 119.070 -0.182 0.000 2.326 452 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 452 H C 2.133 177.401 175.328 -0.100 0.000 1.081 452 H CA 1.478 57.460 56.048 -0.111 0.000 1.334 452 H CB 0.022 29.737 29.762 -0.079 0.000 1.385 452 H HN 0.254 nan 8.280 nan 0.000 0.504 453 A N 0.557 123.216 122.820 -0.268 0.000 1.978 453 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 453 A C 2.277 179.769 177.584 -0.154 0.000 1.170 453 A CA 1.875 53.771 52.037 -0.235 0.000 0.636 453 A CB -0.678 18.171 19.000 -0.252 0.000 0.810 453 A HN 0.576 nan 8.150 nan 0.000 0.448 454 M N -1.274 118.219 119.600 -0.178 0.000 2.618 454 M HA 0.148 4.628 4.480 -0.000 0.000 0.240 454 M C 1.340 177.602 176.300 -0.064 0.000 1.123 454 M CA 0.722 55.988 55.300 -0.056 0.000 1.060 454 M CB 0.076 32.648 32.600 -0.047 0.000 1.535 454 M HN 0.621 nan 8.290 nan 0.000 0.507 455 G N 1.203 109.927 108.800 -0.126 0.000 2.153 455 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.252 455 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.252 455 G C 0.867 175.741 174.900 -0.043 0.000 0.994 455 G CA 0.622 45.663 45.100 -0.098 0.000 0.698 455 G HN 0.482 nan 8.290 nan 0.000 0.521 456 K N -0.534 119.842 120.400 -0.040 0.000 2.243 456 K HA 0.317 4.637 4.320 -0.000 0.000 0.201 456 K C 1.345 177.947 176.600 0.003 0.000 1.051 456 K CA 1.272 57.547 56.287 -0.020 0.000 0.970 456 K CB 0.228 32.709 32.500 -0.032 0.000 0.755 456 K HN 0.809 nan 8.250 nan 0.000 0.465 457 I N -1.998 118.590 120.570 0.031 0.000 2.865 457 I HA 0.457 4.627 4.170 -0.000 0.000 0.302 457 I C -2.961 173.246 176.117 0.151 0.000 1.140 457 I CA -3.029 58.307 61.300 0.060 0.000 1.021 457 I CB 2.308 40.328 38.000 0.032 0.000 1.233 457 I HN -0.256 nan 8.210 nan 0.000 0.427 458 P HA 0.097 nan 4.420 nan 0.000 0.274 458 P C 0.208 177.527 177.300 0.031 0.000 1.246 458 P CA -0.032 63.149 63.100 0.134 0.000 0.795 458 P CB 1.092 32.831 31.700 0.066 0.000 1.006 459 E N 0.875 121.007 120.200 -0.113 0.000 2.118 459 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 459 E C 0.983 177.490 176.600 -0.154 0.000 0.992 459 E CA 1.593 57.730 56.400 -0.438 0.000 0.804 459 E CB -0.137 29.386 29.700 -0.296 0.000 0.741 459 E HN 0.505 nan 8.360 nan 0.000 0.458 460 D N -0.273 120.102 120.400 -0.043 0.000 2.378 460 D HA -0.124 4.516 4.640 -0.000 0.000 0.227 460 D C 0.814 177.135 176.300 0.035 0.000 1.012 460 D CA 0.505 54.514 54.000 0.015 0.000 0.905 460 D CB -0.205 40.607 40.800 0.020 0.000 0.895 460 D HN 0.274 nan 8.370 nan 0.000 0.532 461 E N -0.402 119.803 120.200 0.008 0.000 2.481 461 E HA 0.200 4.550 4.350 -0.000 0.000 0.198 461 E C 1.849 178.446 176.600 -0.006 0.000 1.027 461 E CA -0.286 56.123 56.400 0.015 0.000 0.900 461 E CB 0.409 30.115 29.700 0.009 0.000 0.993 461 E HN 0.288 nan 8.360 nan 0.000 0.482 462 I N 0.061 120.615 120.570 -0.027 0.000 2.179 462 I HA -0.180 3.990 4.170 -0.000 0.000 0.242 462 I C 0.475 176.477 176.117 -0.192 0.000 1.088 462 I CA 1.174 62.399 61.300 -0.124 0.000 1.357 462 I CB 0.067 37.987 38.000 -0.134 0.000 1.051 462 I HN 0.093 nan 8.210 nan 0.000 0.409 463 W N 1.193 122.489 121.300 -0.006 0.000 2.391 463 W HA 0.537 5.197 4.660 -0.000 0.000 0.311 463 W C 0.003 176.527 176.519 0.009 0.000 1.087 463 W CA -0.218 57.136 57.345 0.014 0.000 1.209 463 W CB 0.739 30.210 29.460 0.018 0.000 1.273 463 W HN -0.068 nan 8.180 nan 0.000 0.482 464 Q N 2.288 122.217 119.800 0.215 0.000 2.304 464 Q HA 0.385 4.725 4.340 -0.000 0.000 0.270 464 Q C 0.004 176.081 176.000 0.127 0.000 1.035 464 Q CA -0.517 55.363 55.803 0.128 0.000 0.781 464 Q CB 1.746 30.524 28.738 0.066 0.000 1.261 464 Q HN 0.547 nan 8.270 nan 0.000 0.444 465 S N 2.243 118.001 115.700 0.098 0.000 2.589 465 S HA 0.318 4.788 4.470 -0.000 0.000 0.265 465 S C -0.167 174.475 174.600 0.071 0.000 1.342 465 S CA -0.524 57.724 58.200 0.080 0.000 1.005 465 S CB 1.303 64.534 63.200 0.051 0.000 0.909 465 S HN 0.641 nan 8.310 nan 0.000 0.555 466 E N 0.908 121.150 120.200 0.071 0.000 2.199 466 E HA 0.570 4.920 4.350 -0.000 0.000 0.265 466 E C -2.813 173.817 176.600 0.051 0.000 0.882 466 E CA -2.133 54.306 56.400 0.065 0.000 0.759 466 E CB 1.027 30.777 29.700 0.083 0.000 1.148 466 E HN 0.544 nan 8.360 nan 0.000 0.412 467 P HA 0.065 nan 4.420 nan 0.000 0.268 467 P C -0.756 176.563 177.300 0.032 0.000 1.205 467 P CA -0.175 62.943 63.100 0.031 0.000 0.771 467 P CB 0.523 32.238 31.700 0.024 0.000 0.858 468 E N 1.737 121.954 120.200 0.029 0.000 2.414 468 E HA 0.073 4.423 4.350 -0.000 0.000 0.263 468 E C -0.106 176.505 176.600 0.019 0.000 1.000 468 E CA -0.288 56.128 56.400 0.027 0.000 0.914 468 E CB 0.408 30.122 29.700 0.023 0.000 0.948 468 E HN 0.378 nan 8.360 nan 0.000 0.444 469 S N 2.922 118.631 115.700 0.015 0.000 2.546 469 S HA -0.049 4.421 4.470 -0.000 0.000 0.290 469 S C 1.172 175.776 174.600 0.007 0.000 1.290 469 S CA -0.084 58.122 58.200 0.010 0.000 1.069 469 S CB 0.796 63.996 63.200 -0.000 0.000 0.846 469 S HN 0.536 nan 8.310 nan 0.000 0.495 470 V N 1.995 121.914 119.914 0.009 0.000 2.871 470 V HA 0.058 4.178 4.120 -0.000 0.000 0.256 470 V C 1.480 177.577 176.094 0.006 0.000 1.082 470 V CA 1.451 63.755 62.300 0.008 0.000 1.105 470 V CB -0.551 31.277 31.823 0.010 0.000 0.713 470 V HN 0.811 nan 8.190 nan 0.000 0.473 471 D N 1.085 121.488 120.400 0.006 0.000 2.213 471 D HA 0.082 4.722 4.640 -0.000 0.000 0.205 471 D C 0.813 177.108 176.300 -0.008 0.000 0.961 471 D CA 1.177 55.180 54.000 0.004 0.000 0.853 471 D CB 0.699 41.506 40.800 0.012 0.000 0.967 471 D HN 0.517 nan 8.370 nan 0.000 0.496 472 V N 3.729 123.633 119.914 -0.017 0.000 2.320 472 V HA 0.200 4.320 4.120 -0.000 0.000 0.257 472 V C -2.388 173.691 176.094 -0.024 0.000 0.996 472 V CA -1.296 60.984 62.300 -0.034 0.000 0.928 472 V CB 1.193 32.978 31.823 -0.064 0.000 1.169 472 V HN -0.043 nan 8.190 nan 0.000 0.475 473 P HA 0.364 nan 4.420 nan 0.000 0.275 473 P C -0.362 176.935 177.300 -0.005 0.000 1.228 473 P CA 0.047 63.144 63.100 -0.005 0.000 0.786 473 P CB 1.603 33.302 31.700 -0.001 0.000 0.927 474 A N 3.273 126.096 122.820 0.005 0.000 2.274 474 A HA 0.326 4.646 4.320 -0.000 0.000 0.309 474 A C 0.287 177.877 177.584 0.009 0.000 1.226 474 A CA -0.506 51.537 52.037 0.011 0.000 0.853 474 A CB 0.178 19.197 19.000 0.030 0.000 1.146 474 A HN 0.439 nan 8.150 nan 0.000 0.518 475 Q N 2.506 122.309 119.800 0.006 0.000 2.299 475 Q HA 0.360 4.700 4.340 -0.000 0.000 0.246 475 Q C -2.269 173.736 176.000 0.008 0.000 0.935 475 Q CA -1.788 54.018 55.803 0.005 0.000 0.887 475 Q CB 0.714 29.454 28.738 0.003 0.000 1.223 475 Q HN 0.566 nan 8.270 nan 0.000 0.439 476 P HA 0.173 nan 4.420 nan 0.000 0.272 476 P C -0.321 176.980 177.300 0.003 0.000 1.230 476 P CA -0.362 62.740 63.100 0.003 0.000 0.788 476 P CB 0.736 32.436 31.700 -0.000 0.000 0.949 477 I N 2.023 122.592 120.570 -0.002 0.000 2.396 477 I HA 0.164 4.334 4.170 -0.000 0.000 0.289 477 I C 1.204 177.317 176.117 -0.007 0.000 1.056 477 I CA 0.234 61.532 61.300 -0.003 0.000 1.365 477 I CB 0.048 38.042 38.000 -0.010 0.000 1.407 477 I HN 0.421 nan 8.210 nan 0.000 0.509 478 T N 2.100 116.654 114.554 0.000 0.000 2.932 478 T HA 0.813 5.163 4.350 -0.000 0.000 0.289 478 T C -0.012 174.685 174.700 -0.005 0.000 1.039 478 T CA -0.682 61.418 62.100 -0.000 0.000 1.024 478 T CB 2.212 71.087 68.868 0.011 0.000 1.090 478 T HN 0.650 nan 8.240 nan 0.000 0.496 479 T N -1.275 113.273 114.554 -0.010 0.000 2.916 479 T HA 0.736 5.086 4.350 -0.000 0.000 0.292 479 T C 0.224 174.931 174.700 0.011 0.000 1.055 479 T CA -0.705 61.383 62.100 -0.019 0.000 1.009 479 T CB 1.358 70.189 68.868 -0.062 0.000 1.118 479 T HN 1.026 nan 8.240 nan 0.000 0.497 480 T N -0.512 114.055 114.554 0.022 0.000 2.902 480 T HA 0.425 4.775 4.350 -0.000 0.000 0.280 480 T C 0.856 175.617 174.700 0.102 0.000 0.992 480 T CA -0.859 61.288 62.100 0.078 0.000 1.015 480 T CB 0.736 69.656 68.868 0.088 0.000 1.044 480 T HN 0.546 nan 8.240 nan 0.000 0.520 481 F N 0.949 120.925 119.950 0.044 0.000 2.091 481 F HA -0.044 4.483 4.527 -0.000 0.000 0.299 481 F C 1.924 177.797 175.800 0.122 0.000 1.103 481 F CA 1.509 59.574 58.000 0.108 0.000 1.228 481 F CB -0.486 38.578 39.000 0.107 0.000 0.984 481 F HN 0.514 nan 8.300 nan 0.000 0.477 482 L N -0.046 121.285 121.223 0.180 0.000 2.046 482 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 482 L C 2.402 179.265 176.870 -0.011 0.000 1.077 482 L CA 1.641 56.531 54.840 0.083 0.000 0.747 482 L CB -0.778 41.375 42.059 0.156 0.000 0.896 482 L HN 0.186 nan 8.230 nan 0.000 0.432 483 E N -0.089 120.103 120.200 -0.013 0.000 2.085 483 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 483 E C 2.358 178.849 176.600 -0.182 0.000 0.994 483 E CA 1.165 57.520 56.400 -0.075 0.000 0.801 483 E CB -0.024 29.634 29.700 -0.070 0.000 0.743 483 E HN 0.389 nan 8.360 nan 0.000 0.453 484 R N -0.485 119.844 120.500 -0.286 0.000 2.092 484 R HA -0.064 4.275 4.340 -0.000 0.000 0.231 484 R C 1.786 177.697 176.300 -0.648 0.000 1.119 484 R CA 1.056 56.850 56.100 -0.511 0.000 0.970 484 R CB 0.027 29.912 30.300 -0.691 0.000 0.864 484 R HN 0.314 nan 8.270 nan 0.000 0.440 485 H N -0.934 117.941 119.070 -0.324 0.000 2.874 485 H HA 0.206 4.762 4.556 -0.000 0.000 0.264 485 H C 0.397 175.610 175.328 -0.193 0.000 1.007 485 H CA -0.187 55.665 56.048 -0.326 0.000 1.207 485 H CB 0.482 29.889 29.762 -0.591 0.000 1.487 485 H HN 0.019 nan 8.280 nan 0.000 0.505 486 L N 4.516 125.708 121.223 -0.052 0.000 2.490 486 L HA 0.051 4.391 4.340 -0.000 0.000 0.274 486 L C -1.658 175.190 176.870 -0.036 0.000 1.201 486 L CA -1.370 53.465 54.840 -0.009 0.000 0.869 486 L CB 0.292 42.381 42.059 0.049 0.000 1.123 486 L HN -0.008 nan 8.230 nan 0.000 0.484 487 P HA 0.114 nan 4.420 nan 0.000 0.274 487 P C -0.565 176.683 177.300 -0.086 0.000 1.237 487 P CA -0.577 62.486 63.100 -0.060 0.000 0.793 487 P CB 1.041 32.706 31.700 -0.059 0.000 0.977 488 S N 0.278 115.908 115.700 -0.117 0.000 2.626 488 S HA 0.076 4.546 4.470 -0.000 0.000 0.257 488 S C 1.513 175.970 174.600 -0.239 0.000 1.288 488 S CA -0.510 57.593 58.200 -0.161 0.000 0.980 488 S CB -0.404 62.697 63.200 -0.165 0.000 0.975 488 S HN 0.220 nan 8.310 nan 0.000 0.577 489 V N 2.384 122.084 119.914 -0.358 0.000 2.261 489 V HA -0.067 4.053 4.120 -0.000 0.000 0.246 489 V C -0.417 175.247 176.094 -0.716 0.000 1.047 489 V CA 1.918 63.910 62.300 -0.512 0.000 1.015 489 V CB -1.905 29.584 31.823 -0.558 0.000 0.642 489 V HN 0.807 nan 8.190 nan 0.000 0.446 490 P HA -0.106 nan 4.420 nan 0.000 0.218 490 P C 1.742 178.845 177.300 -0.328 0.000 1.149 490 P CA 1.936 64.607 63.100 -0.716 0.000 0.817 490 P CB -0.277 31.124 31.700 -0.497 0.000 0.785 491 G N 0.740 109.386 108.800 -0.257 0.000 2.418 491 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.217 491 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.217 491 G C 1.516 176.338 174.900 -0.130 0.000 1.158 491 G CA 0.611 45.622 45.100 -0.149 0.000 0.771 491 G HN 0.248 nan 8.290 nan 0.000 0.545 492 L N 0.442 121.573 121.223 -0.154 0.000 2.083 492 L HA 0.114 4.454 4.340 -0.000 0.000 0.209 492 L C 2.661 179.466 176.870 -0.107 0.000 1.083 492 L CA 1.293 56.066 54.840 -0.113 0.000 0.752 492 L CB -0.327 41.667 42.059 -0.108 0.000 0.899 492 L HN 0.210 nan 8.230 nan 0.000 0.433 493 L N -1.134 119.997 121.223 -0.154 0.000 2.093 493 L HA -0.163 4.177 4.340 -0.000 0.000 0.208 493 L C 2.775 179.601 176.870 -0.074 0.000 1.085 493 L CA 0.935 55.706 54.840 -0.117 0.000 0.755 493 L CB -0.578 41.385 42.059 -0.160 0.000 0.904 493 L HN 0.226 nan 8.230 nan 0.000 0.435 494 R N -0.170 120.282 120.500 -0.079 0.000 2.073 494 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 494 R C 2.206 178.485 176.300 -0.035 0.000 1.134 494 R CA 1.277 57.349 56.100 -0.047 0.000 0.952 494 R CB -0.378 29.895 30.300 -0.046 0.000 0.850 494 R HN 0.201 nan 8.270 nan 0.000 0.433 495 L N 0.796 121.994 121.223 -0.041 0.000 2.131 495 L HA -0.074 4.266 4.340 -0.000 0.000 0.210 495 L C 1.344 178.200 176.870 -0.023 0.000 1.092 495 L CA 1.374 56.196 54.840 -0.030 0.000 0.759 495 L CB -0.426 41.614 42.059 -0.031 0.000 0.903 495 L HN 0.078 nan 8.230 nan 0.000 0.435 496 I N 0.000 120.553 120.570 -0.028 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 37.987 38.000 -0.022 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494