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 2bk5_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 0.000 175.507 175.510 -0.004 0.000 1.280 3 N CA 0.000 52.931 53.050 -0.199 0.000 0.885 3 N CB 0.000 38.407 38.487 -0.134 0.000 1.341 4 K N 1.343 121.755 120.400 0.019 0.000 2.183 4 K HA 0.569 4.889 4.320 -0.000 0.000 0.274 4 K C -0.032 176.607 176.600 0.066 0.000 1.009 4 K CA -0.391 55.920 56.287 0.040 0.000 0.888 4 K CB 1.536 34.045 32.500 0.016 0.000 1.078 4 K HN 0.654 nan 8.250 nan 0.000 0.459 5 C N -0.997 118.347 119.300 0.073 0.000 3.336 5 C HA 0.413 4.873 4.460 -0.000 0.000 0.339 5 C C 0.809 175.834 174.990 0.059 0.000 1.468 5 C CA -0.781 58.279 59.018 0.070 0.000 1.287 5 C CB 0.987 28.781 27.740 0.090 0.000 1.682 5 C HN 0.775 nan 8.230 nan 0.000 0.451 6 D N 0.214 120.652 120.400 0.063 0.000 2.149 6 D HA 0.130 4.770 4.640 -0.000 0.000 0.206 6 D C 0.288 176.653 176.300 0.108 0.000 0.967 6 D CA 1.704 55.750 54.000 0.077 0.000 0.848 6 D CB 0.285 41.130 40.800 0.075 0.000 0.998 6 D HN 0.479 nan 8.370 nan 0.000 0.474 7 V N 1.480 121.449 119.914 0.091 0.000 2.623 7 V HA 0.239 4.359 4.120 -0.000 0.000 0.304 7 V C -0.167 175.959 176.094 0.054 0.000 1.054 7 V CA -0.830 61.527 62.300 0.095 0.000 0.882 7 V CB 2.756 34.625 31.823 0.076 0.000 1.002 7 V HN -0.244 nan 8.190 nan 0.000 0.424 8 V N 5.328 125.269 119.914 0.045 0.000 2.432 8 V HA 0.400 4.520 4.120 -0.000 0.000 0.275 8 V C -0.038 176.050 176.094 -0.011 0.000 1.043 8 V CA -0.391 61.905 62.300 -0.006 0.000 0.925 8 V CB 1.815 33.630 31.823 -0.015 0.000 0.985 8 V HN 0.634 nan 8.190 nan 0.000 0.466 9 V N 6.185 126.077 119.914 -0.037 0.000 2.370 9 V HA 0.329 4.449 4.120 -0.000 0.000 0.283 9 V C -0.004 176.062 176.094 -0.046 0.000 1.023 9 V CA -0.583 61.701 62.300 -0.027 0.000 0.857 9 V CB 1.747 33.558 31.823 -0.021 0.000 0.985 9 V HN 0.598 nan 8.190 nan 0.000 0.443 10 V N 4.649 124.550 119.914 -0.022 0.000 2.368 10 V HA 0.801 4.921 4.120 -0.000 0.000 0.266 10 V C 0.688 176.784 176.094 0.003 0.000 1.045 10 V CA 0.443 62.730 62.300 -0.022 0.000 0.899 10 V CB 0.447 32.274 31.823 0.007 0.000 1.006 10 V HN 1.268 nan 8.190 nan 0.000 0.470 11 G N 3.649 112.437 108.800 -0.021 0.000 3.367 11 G HA2 0.187 4.147 3.960 -0.000 0.000 0.686 11 G HA3 0.187 4.147 3.960 -0.000 0.000 0.686 11 G C 0.063 174.962 174.900 -0.002 0.000 1.146 11 G CA -0.503 44.597 45.100 0.000 0.000 0.913 11 G HN 1.206 nan 8.290 nan 0.000 0.554 12 G N 0.827 109.623 108.800 -0.007 0.000 4.291 12 G HA2 0.684 4.644 3.960 -0.000 0.000 0.304 12 G HA3 0.684 4.644 3.960 -0.000 0.000 0.304 12 G C 0.885 175.798 174.900 0.021 0.000 1.264 12 G CA 0.921 46.019 45.100 -0.004 0.000 1.039 12 G HN 1.296 nan 8.290 nan 0.000 0.578 13 G N -0.114 108.710 108.800 0.041 0.000 2.553 13 G HA2 0.330 4.290 3.960 -0.000 0.000 0.278 13 G HA3 0.330 4.290 3.960 -0.000 0.000 0.278 13 G C 1.215 176.140 174.900 0.042 0.000 1.349 13 G CA -0.750 44.384 45.100 0.056 0.000 1.037 13 G HN 0.152 nan 8.290 nan 0.000 0.508 14 I N -0.544 120.053 120.570 0.045 0.000 2.264 14 I HA -0.225 3.945 4.170 -0.000 0.000 0.248 14 I C 3.002 179.141 176.117 0.037 0.000 1.111 14 I CA 1.633 62.952 61.300 0.032 0.000 1.382 14 I CB -0.099 37.924 38.000 0.038 0.000 1.060 14 I HN 0.473 nan 8.210 nan 0.000 0.418 15 S N 0.500 116.235 115.700 0.058 0.000 2.355 15 S HA -0.111 4.359 4.470 -0.000 0.000 0.222 15 S C 2.113 176.739 174.600 0.044 0.000 1.031 15 S CA 1.554 59.792 58.200 0.063 0.000 0.993 15 S CB -0.578 62.679 63.200 0.094 0.000 0.859 15 S HN 0.565 nan 8.310 nan 0.000 0.453 16 G N 1.648 110.472 108.800 0.041 0.000 2.418 16 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.217 16 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.217 16 G C 1.457 176.359 174.900 0.004 0.000 1.158 16 G CA 1.015 46.129 45.100 0.022 0.000 0.771 16 G HN 0.390 nan 8.290 nan 0.000 0.545 17 M N 1.237 120.838 119.600 0.001 0.000 2.117 17 M HA 0.062 4.542 4.480 -0.000 0.000 0.262 17 M C 3.025 179.317 176.300 -0.013 0.000 1.065 17 M CA 1.263 56.554 55.300 -0.014 0.000 1.114 17 M CB -1.397 31.192 32.600 -0.019 0.000 1.361 17 M HN 0.313 nan 8.290 nan 0.000 0.408 18 A N 0.229 123.047 122.820 -0.003 0.000 1.902 18 A HA -0.013 4.307 4.320 -0.000 0.000 0.217 18 A C 2.453 180.034 177.584 -0.004 0.000 1.181 18 A CA 2.224 54.259 52.037 -0.003 0.000 0.623 18 A CB -0.922 18.082 19.000 0.007 0.000 0.818 18 A HN 0.480 nan 8.150 nan 0.000 0.443 19 A N -0.164 122.654 122.820 -0.003 0.000 1.873 19 A HA 0.181 4.501 4.320 -0.000 0.000 0.215 19 A C 2.528 180.106 177.584 -0.009 0.000 1.186 19 A CA 2.092 54.121 52.037 -0.013 0.000 0.616 19 A CB -1.076 17.918 19.000 -0.011 0.000 0.823 19 A HN 1.070 nan 8.150 nan 0.000 0.442 20 A N -0.211 122.606 122.820 -0.005 0.000 1.902 20 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 20 A C 2.145 179.745 177.584 0.026 0.000 1.181 20 A CA 2.064 54.103 52.037 0.002 0.000 0.623 20 A CB -0.468 18.521 19.000 -0.018 0.000 0.818 20 A HN 0.572 nan 8.150 nan 0.000 0.443 21 K N -0.451 119.955 120.400 0.010 0.000 2.026 21 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 21 K C 2.004 178.643 176.600 0.064 0.000 1.048 21 K CA 1.464 57.771 56.287 0.032 0.000 0.929 21 K CB -0.313 32.187 32.500 0.001 0.000 0.713 21 K HN 0.451 nan 8.250 nan 0.000 0.439 22 L N 1.198 122.436 121.223 0.025 0.000 2.012 22 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 22 L C 2.208 179.084 176.870 0.010 0.000 1.073 22 L CA 1.267 56.112 54.840 0.009 0.000 0.748 22 L CB -0.190 41.859 42.059 -0.018 0.000 0.891 22 L HN 0.255 nan 8.230 nan 0.000 0.431 23 L N -1.054 120.175 121.223 0.011 0.000 2.017 23 L HA -0.284 4.056 4.340 -0.000 0.000 0.208 23 L C 2.617 179.506 176.870 0.032 0.000 1.073 23 L CA 1.633 56.476 54.840 0.005 0.000 0.745 23 L CB -0.905 41.154 42.059 0.001 0.000 0.894 23 L HN 0.426 nan 8.230 nan 0.000 0.432 24 H N 0.348 119.405 119.070 -0.021 0.000 2.319 24 H HA -0.214 4.342 4.556 -0.000 0.000 0.299 24 H C 1.802 177.122 175.328 -0.014 0.000 1.092 24 H CA 2.142 58.182 56.048 -0.014 0.000 1.302 24 H CB -0.017 29.737 29.762 -0.014 0.000 1.373 24 H HN 0.223 nan 8.280 nan 0.000 0.497 25 D N -0.772 119.637 120.400 0.015 0.000 2.263 25 D HA -0.127 4.512 4.640 -0.000 0.000 0.208 25 D C 2.138 178.393 176.300 -0.075 0.000 0.971 25 D CA 1.343 55.320 54.000 -0.038 0.000 0.867 25 D CB -0.362 40.454 40.800 0.027 0.000 0.929 25 D HN 0.546 nan 8.370 nan 0.000 0.492 26 S N -1.282 114.380 115.700 -0.063 0.000 2.558 26 S HA 0.270 4.740 4.470 -0.000 0.000 0.217 26 S C 1.629 176.185 174.600 -0.073 0.000 0.975 26 S CA 0.704 58.870 58.200 -0.058 0.000 0.912 26 S CB 0.543 63.716 63.200 -0.044 0.000 0.776 26 S HN 0.267 nan 8.310 nan 0.000 0.526 27 G N 0.512 109.243 108.800 -0.115 0.000 2.163 27 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.213 27 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.213 27 G C -0.154 174.699 174.900 -0.078 0.000 0.991 27 G CA -0.020 45.011 45.100 -0.115 0.000 0.653 27 G HN 0.494 nan 8.290 nan 0.000 0.518 28 L N 0.724 121.914 121.223 -0.055 0.000 2.399 28 L HA 0.441 4.781 4.340 -0.000 0.000 0.266 28 L C 0.107 176.984 176.870 0.013 0.000 1.114 28 L CA -1.083 53.750 54.840 -0.011 0.000 0.804 28 L CB 0.683 42.744 42.059 0.004 0.000 1.146 28 L HN -0.003 nan 8.230 nan 0.000 0.451 29 N N 2.062 120.783 118.700 0.034 0.000 2.406 29 N HA 0.267 5.007 4.740 -0.000 0.000 0.251 29 N C -0.641 174.911 175.510 0.069 0.000 1.069 29 N CA -0.088 52.998 53.050 0.060 0.000 0.947 29 N CB 1.516 40.034 38.487 0.052 0.000 1.111 29 N HN 0.362 nan 8.380 nan 0.000 0.497 30 V N 0.195 120.160 119.914 0.085 0.000 2.815 30 V HA 0.747 4.867 4.120 -0.000 0.000 0.314 30 V C -0.101 176.015 176.094 0.037 0.000 1.064 30 V CA -0.722 61.613 62.300 0.059 0.000 0.952 30 V CB 2.009 33.865 31.823 0.056 0.000 1.020 30 V HN 0.159 nan 8.190 nan 0.000 0.439 31 V N 3.529 123.444 119.914 0.002 0.000 2.709 31 V HA 0.537 4.657 4.120 -0.000 0.000 0.308 31 V C -0.409 175.625 176.094 -0.099 0.000 1.062 31 V CA -0.519 61.751 62.300 -0.049 0.000 0.901 31 V CB 2.152 33.935 31.823 -0.067 0.000 1.003 31 V HN 0.846 nan 8.190 nan 0.000 0.425 32 V N 6.095 125.943 119.914 -0.110 0.000 2.370 32 V HA 0.452 4.572 4.120 -0.000 0.000 0.283 32 V C -0.208 175.787 176.094 -0.165 0.000 1.023 32 V CA -0.447 61.786 62.300 -0.112 0.000 0.857 32 V CB 1.482 33.260 31.823 -0.074 0.000 0.985 32 V HN 0.611 nan 8.190 nan 0.000 0.443 33 L N 4.599 125.709 121.223 -0.189 0.000 2.262 33 L HA 0.578 4.918 4.340 -0.000 0.000 0.288 33 L C -0.112 176.671 176.870 -0.144 0.000 1.035 33 L CA -0.322 54.388 54.840 -0.216 0.000 0.820 33 L CB 1.291 43.186 42.059 -0.274 0.000 1.204 33 L HN 0.618 nan 8.230 nan 0.000 0.424 34 E N 2.369 122.489 120.200 -0.132 0.000 2.158 34 E HA 0.476 4.826 4.350 -0.000 0.000 0.271 34 E C 0.350 176.842 176.600 -0.180 0.000 0.911 34 E CA -0.315 56.010 56.400 -0.125 0.000 0.767 34 E CB 2.052 31.702 29.700 -0.084 0.000 1.120 34 E HN 0.546 nan 8.360 nan 0.000 0.405 35 A N 5.472 128.119 122.820 -0.288 0.000 1.930 35 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 35 A C 1.073 178.421 177.584 -0.394 0.000 1.175 35 A CA 0.962 52.690 52.037 -0.515 0.000 0.627 35 A CB -0.184 18.099 19.000 -1.195 0.000 0.815 35 A HN 0.605 nan 8.150 nan 0.000 0.443 36 R N 0.005 120.353 120.500 -0.252 0.000 2.580 36 R HA 0.226 4.566 4.340 -0.000 0.000 0.267 36 R C 0.112 176.372 176.300 -0.067 0.000 1.125 36 R CA 0.165 56.199 56.100 -0.110 0.000 1.188 36 R CB 0.151 30.427 30.300 -0.039 0.000 1.155 36 R HN 0.461 nan 8.270 nan 0.000 0.586 37 D N 0.433 120.813 120.400 -0.032 0.000 2.323 37 D HA -0.033 4.607 4.640 -0.000 0.000 0.239 37 D C -0.091 176.209 176.300 0.001 0.000 1.129 37 D CA 0.078 54.069 54.000 -0.015 0.000 0.865 37 D CB -0.046 40.751 40.800 -0.005 0.000 0.913 37 D HN 0.438 nan 8.370 nan 0.000 0.517 38 R N -1.269 119.233 120.500 0.003 0.000 2.734 38 R HA 0.575 4.915 4.340 -0.000 0.000 0.271 38 R C -0.669 175.650 176.300 0.033 0.000 1.021 38 R CA -1.101 55.019 56.100 0.034 0.000 0.893 38 R CB 1.178 31.523 30.300 0.075 0.000 1.244 38 R HN -0.102 nan 8.270 nan 0.000 0.464 39 V N -1.472 118.469 119.914 0.045 0.000 3.262 39 V HA 0.851 4.971 4.120 -0.000 0.000 0.313 39 V C 0.966 177.113 176.094 0.089 0.000 1.070 39 V CA 0.423 62.749 62.300 0.043 0.000 1.049 39 V CB 0.774 32.608 31.823 0.018 0.000 1.157 39 V HN 1.201 nan 8.190 nan 0.000 0.454 40 G N -0.911 107.939 108.800 0.084 0.000 2.307 40 G HA2 0.125 4.085 3.960 -0.000 0.000 0.210 40 G HA3 0.125 4.085 3.960 -0.000 0.000 0.210 40 G C 1.644 176.629 174.900 0.142 0.000 1.005 40 G CA 0.769 45.937 45.100 0.115 0.000 0.634 40 G HN 2.636 nan 8.290 nan 0.000 0.496 41 G N 0.563 109.460 108.800 0.162 0.000 2.646 41 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.324 41 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.324 41 G C 0.965 176.023 174.900 0.264 0.000 1.195 41 G CA 1.503 46.716 45.100 0.189 0.000 0.976 41 G HN 1.202 nan 8.290 nan 0.000 0.546 42 R N 1.799 122.362 120.500 0.106 0.000 2.323 42 R HA 0.215 4.555 4.340 -0.000 0.000 0.198 42 R C 1.119 177.304 176.300 -0.191 0.000 0.988 42 R CA 1.057 57.040 56.100 -0.195 0.000 1.041 42 R CB -0.160 29.997 30.300 -0.240 0.000 0.926 42 R HN 0.709 nan 8.270 nan 0.000 0.476 43 T N -2.298 112.299 114.554 0.072 0.000 2.829 43 T HA 0.344 4.694 4.350 -0.000 0.000 0.282 43 T C -0.923 173.999 174.700 0.369 0.000 0.990 43 T CA -0.611 61.582 62.100 0.155 0.000 1.028 43 T CB 1.487 70.415 68.868 0.101 0.000 0.951 43 T HN 0.113 nan 8.240 nan 0.000 0.460 44 Y N 1.372 121.822 120.300 0.250 0.000 2.313 44 Y HA 0.430 4.980 4.550 -0.000 0.000 0.320 44 Y C -1.172 174.843 175.900 0.191 0.000 1.171 44 Y CA -0.809 57.439 58.100 0.247 0.000 1.093 44 Y CB 1.572 40.244 38.460 0.353 0.000 1.224 44 Y HN 0.876 nan 8.280 nan 0.000 0.421 45 T N 7.796 122.176 114.554 -0.290 0.000 2.756 45 T HA 0.412 4.762 4.350 -0.000 0.000 0.290 45 T C -0.888 173.487 174.700 -0.541 0.000 0.985 45 T CA -0.403 61.523 62.100 -0.289 0.000 0.955 45 T CB 0.615 69.425 68.868 -0.096 0.000 0.930 45 T HN 0.580 nan 8.240 nan 0.000 0.451 46 L N 4.437 125.363 121.223 -0.494 0.000 2.292 46 L HA 0.653 4.993 4.340 -0.000 0.000 0.284 46 L C -0.319 176.479 176.870 -0.120 0.000 1.065 46 L CA -0.175 54.452 54.840 -0.355 0.000 0.806 46 L CB 0.512 42.447 42.059 -0.207 0.000 1.175 46 L HN 0.422 nan 8.230 nan 0.000 0.431 47 R N 3.636 124.090 120.500 -0.076 0.000 2.437 47 R HA 0.645 4.984 4.340 -0.000 0.000 0.310 47 R C -1.014 175.264 176.300 -0.037 0.000 0.955 47 R CA -0.554 55.526 56.100 -0.034 0.000 0.851 47 R CB 1.286 31.577 30.300 -0.015 0.000 1.161 47 R HN 0.907 nan 8.270 nan 0.000 0.446 48 N N -0.988 117.673 118.700 -0.065 0.000 3.020 48 N HA 0.084 4.824 4.740 -0.000 0.000 0.248 48 N C -0.034 175.413 175.510 -0.106 0.000 1.480 48 N CA -0.844 52.164 53.050 -0.071 0.000 0.874 48 N CB 0.627 39.077 38.487 -0.061 0.000 1.433 48 N HN 0.148 nan 8.380 nan 0.000 0.530 49 Q N -0.184 119.562 119.800 -0.091 0.000 2.096 49 Q HA -0.041 4.299 4.340 -0.000 0.000 0.204 49 Q C 0.721 176.667 176.000 -0.090 0.000 0.982 49 Q CA 1.490 57.252 55.803 -0.070 0.000 0.850 49 Q CB -0.120 28.582 28.738 -0.061 0.000 0.901 49 Q HN 0.543 nan 8.270 nan 0.000 0.422 50 K N 0.066 120.315 120.400 -0.253 0.000 2.155 50 K HA -0.054 4.266 4.320 -0.000 0.000 0.203 50 K C 2.012 178.409 176.600 -0.338 0.000 1.052 50 K CA 1.187 57.229 56.287 -0.407 0.000 0.948 50 K CB 0.076 31.968 32.500 -1.014 0.000 0.728 50 K HN 0.277 nan 8.250 nan 0.000 0.448 51 V N -2.696 116.976 119.914 -0.404 0.000 3.645 51 V HA 0.211 4.331 4.120 -0.000 0.000 0.275 51 V C 1.439 177.123 176.094 -0.683 0.000 1.356 51 V CA 0.678 62.696 62.300 -0.470 0.000 1.051 51 V CB 0.167 31.753 31.823 -0.394 0.000 0.828 51 V HN 0.267 nan 8.190 nan 0.000 0.441 52 K N 0.578 120.643 120.400 -0.558 0.000 10.883 52 K HA -0.307 4.013 4.320 -0.000 0.000 0.526 52 K C 0.141 176.627 176.600 -0.190 0.000 0.382 52 K CA 2.520 58.524 56.287 -0.472 0.000 1.943 52 K CB -1.486 30.506 32.500 -0.846 0.000 0.766 52 K HN 0.958 nan 8.250 nan 0.000 1.214 53 Y N -1.826 118.316 120.300 -0.262 0.000 2.571 53 Y HA 0.737 5.287 4.550 -0.000 0.000 0.341 53 Y C -1.210 174.645 175.900 -0.074 0.000 1.076 53 Y CA -0.761 57.253 58.100 -0.144 0.000 1.029 53 Y CB 2.059 40.455 38.460 -0.108 0.000 1.308 53 Y HN 0.017 nan 8.280 nan 0.000 0.461 54 V N 2.339 122.315 119.914 0.102 0.000 2.851 54 V HA 0.379 4.499 4.120 -0.000 0.000 0.307 54 V C -1.581 174.573 176.094 0.099 0.000 1.129 54 V CA -0.631 61.732 62.300 0.106 0.000 0.932 54 V CB 1.994 33.903 31.823 0.142 0.000 1.024 54 V HN 0.924 nan 8.190 nan 0.000 0.426 55 D N 5.588 126.057 120.400 0.114 0.000 2.336 55 D HA 0.301 4.941 4.640 -0.000 0.000 0.249 55 D C 0.863 177.245 176.300 0.137 0.000 1.213 55 D CA 0.197 54.250 54.000 0.089 0.000 0.870 55 D CB 1.808 42.629 40.800 0.036 0.000 1.076 55 D HN 0.516 nan 8.370 nan 0.000 0.483 56 L N 1.503 122.862 121.223 0.226 0.000 2.477 56 L HA 0.197 4.537 4.340 -0.000 0.000 0.220 56 L C 1.567 178.837 176.870 0.666 0.000 1.106 56 L CA 0.110 55.188 54.840 0.397 0.000 0.851 56 L CB 0.287 42.598 42.059 0.420 0.000 0.994 56 L HN 0.316 nan 8.230 nan 0.000 0.462 57 G N -0.776 108.343 108.800 0.533 0.000 3.099 57 G HA2 0.421 4.381 3.960 -0.000 0.000 0.151 57 G HA3 0.421 4.381 3.960 -0.000 0.000 0.151 57 G C -0.141 174.780 174.900 0.035 0.000 1.265 57 G CA -0.069 45.151 45.100 0.199 0.000 0.981 57 G HN 0.095 nan 8.290 nan 0.000 0.601 58 G N -0.749 107.999 108.800 -0.086 0.000 2.321 58 G HA2 0.353 4.313 3.960 -0.000 0.000 0.237 58 G HA3 0.353 4.313 3.960 -0.000 0.000 0.237 58 G C 0.585 175.444 174.900 -0.069 0.000 1.282 58 G CA 0.903 45.953 45.100 -0.083 0.000 0.886 58 G HN 0.835 nan 8.290 nan 0.000 0.528 59 S N 1.461 117.050 115.700 -0.186 0.000 3.084 59 S HA 0.207 4.677 4.470 -0.000 0.000 0.262 59 S C 0.133 174.477 174.600 -0.427 0.000 1.081 59 S CA -0.312 57.678 58.200 -0.349 0.000 0.855 59 S CB 0.093 62.905 63.200 -0.647 0.000 0.857 59 S HN 0.498 nan 8.310 nan 0.000 0.449 60 Y N 2.712 122.959 120.300 -0.089 0.000 2.299 60 Y HA 0.561 5.111 4.550 -0.000 0.000 0.326 60 Y C 0.256 176.015 175.900 -0.234 0.000 1.164 60 Y CA -0.566 57.428 58.100 -0.176 0.000 1.234 60 Y CB 1.301 39.694 38.460 -0.113 0.000 1.219 60 Y HN 0.121 nan 8.280 nan 0.000 0.497 61 V N -0.297 119.489 119.914 -0.213 0.000 3.102 61 V HA 1.103 5.223 4.120 -0.000 0.000 0.312 61 V C -0.318 175.579 176.094 -0.328 0.000 1.135 61 V CA -0.594 61.506 62.300 -0.333 0.000 1.022 61 V CB 1.680 33.237 31.823 -0.443 0.000 1.056 61 V HN 0.939 nan 8.190 nan 0.000 0.436 62 G N 0.360 108.925 108.800 -0.392 0.000 2.600 62 G HA2 0.727 4.687 3.960 -0.000 0.000 0.293 62 G HA3 0.727 4.687 3.960 -0.000 0.000 0.293 62 G C -3.436 171.299 174.900 -0.275 0.000 1.408 62 G CA -1.251 43.666 45.100 -0.305 0.000 0.782 62 G HN 0.713 nan 8.290 nan 0.000 0.482 63 P HA 0.112 nan 4.420 nan 0.000 0.265 63 P C 0.804 178.092 177.300 -0.021 0.000 1.187 63 P CA 1.918 64.977 63.100 -0.069 0.000 0.766 63 P CB 0.885 32.573 31.700 -0.021 0.000 0.820 64 T N -1.449 113.125 114.554 0.034 0.000 6.424 64 T HA -0.249 4.100 4.350 -0.000 0.000 0.279 64 T C 0.271 175.032 174.700 0.102 0.000 2.176 64 T CA 0.968 63.174 62.100 0.176 0.000 3.628 64 T CB -2.680 66.421 68.868 0.388 0.000 1.165 64 T HN 0.580 nan 8.240 nan 0.000 1.080 65 Q N 1.384 121.051 119.800 -0.223 0.000 3.207 65 Q HA 0.371 4.711 4.340 -0.000 0.000 0.335 65 Q C 0.961 176.876 176.000 -0.142 0.000 1.374 65 Q CA -0.461 55.111 55.803 -0.386 0.000 1.023 65 Q CB 0.182 28.489 28.738 -0.719 0.000 1.576 65 Q HN 0.505 nan 8.270 nan 0.000 0.515 66 N N 0.866 119.557 118.700 -0.014 0.000 2.331 66 N HA -0.084 4.656 4.740 -0.000 0.000 0.180 66 N C 1.256 176.782 175.510 0.026 0.000 1.019 66 N CA 0.869 53.930 53.050 0.018 0.000 0.881 66 N CB 0.242 38.761 38.487 0.053 0.000 0.972 66 N HN 0.389 nan 8.380 nan 0.000 0.435 67 R N 0.517 121.039 120.500 0.037 0.000 2.062 67 R HA 0.001 4.341 4.340 -0.000 0.000 0.229 67 R C 2.080 178.399 176.300 0.032 0.000 1.128 67 R CA 0.727 56.853 56.100 0.043 0.000 0.960 67 R CB -0.381 29.958 30.300 0.064 0.000 0.855 67 R HN 0.098 nan 8.270 nan 0.000 0.432 68 I N 1.297 121.881 120.570 0.024 0.000 2.286 68 I HA -0.201 3.969 4.170 -0.000 0.000 0.248 68 I C 1.847 178.032 176.117 0.112 0.000 1.115 68 I CA 1.388 62.724 61.300 0.060 0.000 1.392 68 I CB -0.075 37.969 38.000 0.072 0.000 1.065 68 I HN 0.097 nan 8.210 nan 0.000 0.418 69 L N 0.188 121.463 121.223 0.086 0.000 2.046 69 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 69 L C 2.748 179.665 176.870 0.078 0.000 1.077 69 L CA 1.356 56.263 54.840 0.111 0.000 0.747 69 L CB -0.854 41.225 42.059 0.034 0.000 0.896 69 L HN 0.270 nan 8.230 nan 0.000 0.432 70 R N 0.706 121.232 120.500 0.044 0.000 2.075 70 R HA -0.169 4.171 4.340 -0.000 0.000 0.232 70 R C 2.293 178.601 176.300 0.012 0.000 1.126 70 R CA 1.539 57.655 56.100 0.028 0.000 0.963 70 R CB -0.574 29.740 30.300 0.025 0.000 0.858 70 R HN 0.244 nan 8.270 nan 0.000 0.435 71 L N 1.235 122.461 121.223 0.005 0.000 2.017 71 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 71 L C 2.437 179.269 176.870 -0.063 0.000 1.073 71 L CA 2.303 57.130 54.840 -0.023 0.000 0.745 71 L CB -0.871 41.174 42.059 -0.023 0.000 0.894 71 L HN 0.242 nan 8.230 nan 0.000 0.432 72 A N -0.644 122.124 122.820 -0.087 0.000 1.902 72 A HA -0.276 4.044 4.320 -0.000 0.000 0.217 72 A C 2.466 179.989 177.584 -0.102 0.000 1.181 72 A CA 2.038 53.950 52.037 -0.208 0.000 0.623 72 A CB -0.667 18.106 19.000 -0.378 0.000 0.818 72 A HN 0.509 nan 8.150 nan 0.000 0.443 73 K N -0.341 120.052 120.400 -0.012 0.000 2.032 73 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 73 K C 2.097 178.688 176.600 -0.015 0.000 1.048 73 K CA 1.771 58.062 56.287 0.006 0.000 0.927 73 K CB -0.204 32.313 32.500 0.028 0.000 0.712 73 K HN 0.627 nan 8.250 nan 0.000 0.441 74 E N 0.464 120.653 120.200 -0.019 0.000 2.118 74 E HA -0.185 4.165 4.350 -0.000 0.000 0.195 74 E C 1.670 178.250 176.600 -0.034 0.000 0.992 74 E CA 1.043 57.431 56.400 -0.020 0.000 0.804 74 E CB -0.007 29.684 29.700 -0.016 0.000 0.741 74 E HN 0.357 nan 8.360 nan 0.000 0.458 75 L N -0.657 120.531 121.223 -0.059 0.000 2.610 75 L HA 0.138 4.478 4.340 -0.000 0.000 0.232 75 L C 1.365 178.192 176.870 -0.072 0.000 1.149 75 L CA 0.457 55.252 54.840 -0.074 0.000 0.872 75 L CB 0.134 42.126 42.059 -0.111 0.000 0.992 75 L HN 0.393 nan 8.230 nan 0.000 0.447 76 G N 0.177 108.944 108.800 -0.055 0.000 2.132 76 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.234 76 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.234 76 G C 0.089 174.963 174.900 -0.043 0.000 0.989 76 G CA -0.316 44.761 45.100 -0.039 0.000 0.676 76 G HN 0.204 nan 8.290 nan 0.000 0.522 77 L N -0.210 120.974 121.223 -0.065 0.000 2.399 77 L HA 0.744 5.084 4.340 -0.000 0.000 0.265 77 L C 0.628 177.535 176.870 0.062 0.000 1.089 77 L CA -0.694 54.116 54.840 -0.050 0.000 0.802 77 L CB 1.088 43.018 42.059 -0.216 0.000 1.180 77 L HN 0.185 nan 8.230 nan 0.000 0.454 78 E N -0.189 120.091 120.200 0.135 0.000 2.336 78 E HA 0.467 4.817 4.350 -0.000 0.000 0.267 78 E C -0.987 175.770 176.600 0.261 0.000 0.906 78 E CA -0.706 55.796 56.400 0.169 0.000 0.781 78 E CB 2.498 32.267 29.700 0.115 0.000 1.261 78 E HN 0.672 nan 8.360 nan 0.000 0.436 79 T N -1.372 113.282 114.554 0.167 0.000 2.950 79 T HA 0.642 4.992 4.350 -0.000 0.000 0.288 79 T C -0.770 174.010 174.700 0.134 0.000 1.035 79 T CA -0.701 61.430 62.100 0.051 0.000 1.028 79 T CB 0.720 69.495 68.868 -0.155 0.000 1.109 79 T HN 0.527 nan 8.240 nan 0.000 0.514 80 Y N -1.464 118.828 120.300 -0.014 0.000 2.609 80 Y HA 0.741 5.291 4.550 0.000 0.000 0.342 80 Y C -0.777 175.117 175.900 -0.010 0.000 1.058 80 Y CA -1.547 56.557 58.100 0.005 0.000 1.055 80 Y CB 1.396 39.880 38.460 0.041 0.000 1.292 80 Y HN 0.621 nan 8.280 nan 0.000 0.476 81 K N 2.129 122.572 120.400 0.073 0.000 2.234 81 K HA 0.440 4.760 4.320 -0.000 0.000 0.282 81 K C -0.811 175.801 176.600 0.020 0.000 1.039 81 K CA -0.815 55.455 56.287 -0.027 0.000 0.928 81 K CB 1.717 34.228 32.500 0.019 0.000 1.039 81 K HN 0.571 nan 8.250 nan 0.000 0.470 82 V N 3.178 123.047 119.914 -0.076 0.000 2.673 82 V HA -0.110 4.010 4.120 -0.000 0.000 0.303 82 V C 0.565 176.677 176.094 0.029 0.000 1.046 82 V CA -0.127 62.173 62.300 0.001 0.000 1.126 82 V CB 0.300 32.093 31.823 -0.050 0.000 0.934 82 V HN 0.728 nan 8.190 nan 0.000 0.487 83 N N 3.878 122.624 118.700 0.076 0.000 2.434 83 N HA 0.011 4.751 4.740 -0.000 0.000 0.268 83 N C 0.265 175.776 175.510 0.001 0.000 1.256 83 N CA 0.527 53.613 53.050 0.061 0.000 0.914 83 N CB 0.246 38.799 38.487 0.111 0.000 1.088 83 N HN 0.817 nan 8.380 nan 0.000 0.478 84 E N 2.944 123.136 120.200 -0.014 0.000 3.191 84 E HA 0.112 4.462 4.350 -0.000 0.000 0.192 84 E C 0.343 176.925 176.600 -0.030 0.000 0.972 84 E CA -0.066 56.306 56.400 -0.047 0.000 1.266 84 E CB 0.276 29.927 29.700 -0.081 0.000 1.076 84 E HN 0.438 nan 8.360 nan 0.000 0.462 85 V N 0.528 120.439 119.914 -0.004 0.000 2.307 85 V HA -0.164 3.956 4.120 -0.000 0.000 0.245 85 V C 0.961 177.053 176.094 -0.003 0.000 1.045 85 V CA 1.623 63.922 62.300 -0.001 0.000 1.024 85 V CB -0.112 31.715 31.823 0.006 0.000 0.651 85 V HN 0.260 nan 8.190 nan 0.000 0.449 86 E N -0.709 119.496 120.200 0.008 0.000 3.099 86 E HA 0.391 4.741 4.350 -0.000 0.000 0.259 86 E C 0.202 176.805 176.600 0.005 0.000 1.274 86 E CA -0.639 55.771 56.400 0.018 0.000 1.111 86 E CB 0.233 29.959 29.700 0.043 0.000 1.327 86 E HN 0.301 nan 8.360 nan 0.000 0.652 87 R N 0.260 120.788 120.500 0.047 0.000 2.490 87 R HA 0.280 4.620 4.340 -0.000 0.000 0.280 87 R C -0.494 175.759 176.300 -0.078 0.000 1.077 87 R CA -0.570 55.534 56.100 0.007 0.000 1.065 87 R CB 0.123 30.497 30.300 0.124 0.000 1.003 87 R HN 0.174 nan 8.270 nan 0.000 0.470 88 L N 2.765 123.765 121.223 -0.371 0.000 2.466 88 L HA 0.324 4.664 4.340 -0.000 0.000 0.257 88 L C 0.246 176.903 176.870 -0.354 0.000 1.189 88 L CA 0.328 54.846 54.840 -0.537 0.000 0.813 88 L CB 0.386 41.791 42.059 -1.090 0.000 1.118 88 L HN 0.468 nan 8.230 nan 0.000 0.471 89 I N 0.416 120.927 120.570 -0.099 0.000 2.465 89 I HA 0.266 4.436 4.170 -0.000 0.000 0.291 89 I C -0.544 175.893 176.117 0.533 0.000 1.014 89 I CA -0.468 60.935 61.300 0.171 0.000 1.093 89 I CB 1.469 39.412 38.000 -0.096 0.000 1.267 89 I HN 0.541 nan 8.210 nan 0.000 0.431 90 H N 5.453 124.871 119.070 0.581 0.000 2.541 90 H HA 0.307 4.863 4.556 -0.000 0.000 0.316 90 H C -1.266 174.318 175.328 0.426 0.000 1.043 90 H CA -0.720 55.605 56.048 0.463 0.000 1.232 90 H CB 0.900 30.840 29.762 0.296 0.000 1.406 90 H HN 0.613 nan 8.280 nan 0.000 0.469 91 H N 4.500 123.703 119.070 0.222 0.000 2.556 91 H HA 0.393 4.949 4.556 -0.000 0.000 0.310 91 H C -1.452 173.877 175.328 0.001 0.000 1.057 91 H CA -0.410 55.702 56.048 0.106 0.000 1.264 91 H CB 0.700 30.525 29.762 0.105 0.000 1.404 91 H HN 0.307 nan 8.280 nan 0.000 0.462 92 V N 6.297 126.062 119.914 -0.248 0.000 2.686 92 V HA 0.189 4.309 4.120 -0.000 0.000 0.306 92 V C -0.490 175.541 176.094 -0.106 0.000 1.065 92 V CA -0.995 61.200 62.300 -0.174 0.000 0.894 92 V CB 1.597 33.230 31.823 -0.317 0.000 1.004 92 V HN 0.998 nan 8.190 nan 0.000 0.424 93 K N 4.461 124.828 120.400 -0.054 0.000 3.177 93 K HA -0.239 4.081 4.320 -0.000 0.000 0.266 93 K C 0.954 177.515 176.600 -0.065 0.000 0.937 93 K CA 0.833 57.108 56.287 -0.020 0.000 0.702 93 K CB -1.358 31.150 32.500 0.014 0.000 1.365 93 K HN 1.687 nan 8.250 nan 0.000 0.466 94 G N 0.022 108.733 108.800 -0.148 0.000 2.148 94 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.254 94 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.254 94 G C -0.110 174.634 174.900 -0.259 0.000 0.981 94 G CA 0.898 45.948 45.100 -0.082 0.000 0.670 94 G HN 0.445 nan 8.290 nan 0.000 0.528 95 K N 0.110 120.160 120.400 -0.583 0.000 2.468 95 K HA 0.620 4.940 4.320 -0.000 0.000 0.252 95 K C -0.415 175.849 176.600 -0.561 0.000 0.932 95 K CA -0.500 55.522 56.287 -0.442 0.000 0.794 95 K CB 1.380 33.686 32.500 -0.324 0.000 1.241 95 K HN 0.048 nan 8.250 nan 0.000 0.428 96 S N 2.517 118.030 115.700 -0.311 0.000 2.499 96 S HA 0.371 4.841 4.470 -0.000 0.000 0.279 96 S C -1.349 173.057 174.600 -0.323 0.000 1.219 96 S CA -0.356 57.781 58.200 -0.105 0.000 1.062 96 S CB 0.260 63.496 63.200 0.059 0.000 0.978 96 S HN 0.404 nan 8.310 nan 0.000 0.489 97 Y N 2.752 123.142 120.300 0.150 0.000 2.447 97 Y HA 0.351 4.901 4.550 -0.000 0.000 0.325 97 Y C -2.476 173.633 175.900 0.348 0.000 0.976 97 Y CA -2.431 55.798 58.100 0.215 0.000 1.280 97 Y CB 0.829 39.407 38.460 0.197 0.000 1.104 97 Y HN 0.458 nan 8.280 nan 0.000 0.486 98 P HA 0.240 nan 4.420 nan 0.000 0.271 98 P C -0.847 176.758 177.300 0.508 0.000 1.218 98 P CA -0.013 63.323 63.100 0.394 0.000 0.780 98 P CB 0.594 32.516 31.700 0.369 0.000 0.901 99 F N -0.715 119.370 119.950 0.225 0.000 2.741 99 F HA 0.716 5.243 4.527 -0.000 0.000 0.313 99 F C -1.069 174.822 175.800 0.152 0.000 1.153 99 F CA -1.321 56.802 58.000 0.205 0.000 0.931 99 F CB 1.489 40.623 39.000 0.223 0.000 1.335 99 F HN 0.050 nan 8.300 nan 0.000 0.460 100 R N 0.813 121.450 120.500 0.228 0.000 2.854 100 R HA 0.789 5.129 4.340 -0.000 0.000 0.271 100 R C -0.430 176.009 176.300 0.231 0.000 0.994 100 R CA -0.797 55.350 56.100 0.077 0.000 0.945 100 R CB 1.807 32.157 30.300 0.083 0.000 1.194 100 R HN 1.477 nan 8.270 nan 0.000 0.476 101 G N 1.352 110.224 108.800 0.121 0.000 2.707 101 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 101 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 101 G C -2.066 172.947 174.900 0.189 0.000 1.315 101 G CA -0.758 44.435 45.100 0.155 0.000 0.832 101 G HN 0.453 nan 8.290 nan 0.000 0.573 102 P HA 0.125 nan 4.420 nan 0.000 0.220 102 P C 0.473 177.708 177.300 -0.107 0.000 1.152 102 P CA 1.111 64.146 63.100 -0.108 0.000 0.812 102 P CB 0.120 31.618 31.700 -0.338 0.000 0.792 103 F N 0.557 120.621 119.950 0.190 0.000 2.495 103 F HA 0.457 4.984 4.527 -0.000 0.000 0.327 103 F C -2.167 173.489 175.800 -0.240 0.000 1.103 103 F CA -3.053 54.937 58.000 -0.016 0.000 0.949 103 F CB 0.996 39.798 39.000 -0.330 0.000 1.142 103 F HN -0.316 nan 8.300 nan 0.000 0.457 104 P HA 0.161 nan 4.420 nan 0.000 0.271 104 P C -2.537 174.513 177.300 -0.417 0.000 1.220 104 P CA -0.951 61.476 63.100 -1.121 0.000 0.768 104 P CB -0.011 31.127 31.700 -0.938 0.000 0.848 105 P HA 0.128 nan 4.420 nan 0.000 0.272 105 P C -0.829 176.335 177.300 -0.228 0.000 1.223 105 P CA 0.094 63.079 63.100 -0.192 0.000 0.784 105 P CB 0.494 32.139 31.700 -0.092 0.000 0.923 106 V N 1.665 121.383 119.914 -0.326 0.000 2.656 106 V HA 0.306 4.426 4.120 -0.000 0.000 0.307 106 V C -0.134 175.764 176.094 -0.326 0.000 1.051 106 V CA -0.273 61.858 62.300 -0.280 0.000 0.893 106 V CB 1.976 33.555 31.823 -0.407 0.000 0.999 106 V HN 0.687 nan 8.190 nan 0.000 0.426 107 W N 0.288 121.563 121.300 -0.040 0.000 2.798 107 W HA 0.228 4.888 4.660 -0.000 0.000 0.260 107 W C 1.319 177.832 176.519 -0.010 0.000 1.165 107 W CA -0.112 57.221 57.345 -0.021 0.000 1.501 107 W CB 0.232 29.677 29.460 -0.025 0.000 1.023 107 W HN 0.533 nan 8.180 nan 0.000 0.615 108 N N 3.424 122.235 118.700 0.186 0.000 2.411 108 N HA -0.063 4.677 4.740 -0.000 0.000 0.261 108 N C -1.319 174.253 175.510 0.103 0.000 1.248 108 N CA -0.220 52.901 53.050 0.119 0.000 0.885 108 N CB 1.401 39.939 38.487 0.086 0.000 1.062 108 N HN -0.085 nan 8.380 nan 0.000 0.471 109 P HA -0.141 nan 4.420 nan 0.000 0.216 109 P C 1.626 178.990 177.300 0.107 0.000 1.153 109 P CA 0.843 63.990 63.100 0.078 0.000 0.848 109 P CB 0.347 32.073 31.700 0.044 0.000 0.787 110 I N 0.230 120.847 120.570 0.078 0.000 2.252 110 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 110 I C 2.231 178.397 176.117 0.083 0.000 1.102 110 I CA 1.665 63.003 61.300 0.063 0.000 1.385 110 I CB -2.129 35.903 38.000 0.052 0.000 1.064 110 I HN 0.015 nan 8.210 nan 0.000 0.414 111 T N 0.307 114.920 114.554 0.097 0.000 2.788 111 T HA -0.238 4.112 4.350 -0.000 0.000 0.268 111 T C 1.882 176.645 174.700 0.106 0.000 1.044 111 T CA 1.336 63.507 62.100 0.118 0.000 1.139 111 T CB -0.634 68.282 68.868 0.080 0.000 0.867 111 T HN 0.312 nan 8.240 nan 0.000 0.454 112 Y N 1.943 122.219 120.300 -0.040 0.000 2.128 112 Y HA -0.124 4.426 4.550 -0.000 0.000 0.284 112 Y C 2.018 177.912 175.900 -0.010 0.000 1.154 112 Y CA 1.194 59.249 58.100 -0.075 0.000 1.149 112 Y CB -0.512 37.878 38.460 -0.115 0.000 0.976 112 Y HN 0.107 nan 8.280 nan 0.000 0.505 113 L N -0.176 121.095 121.223 0.080 0.000 2.083 113 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 113 L C 2.165 178.984 176.870 -0.086 0.000 1.083 113 L CA 1.759 56.590 54.840 -0.015 0.000 0.752 113 L CB -0.634 41.439 42.059 0.022 0.000 0.899 113 L HN 0.245 nan 8.230 nan 0.000 0.433 114 D N -0.871 119.517 120.400 -0.021 0.000 2.097 114 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 114 D C 2.190 178.454 176.300 -0.060 0.000 0.984 114 D CA 1.241 55.233 54.000 -0.013 0.000 0.826 114 D CB 0.046 40.879 40.800 0.054 0.000 0.973 114 D HN 0.294 nan 8.370 nan 0.000 0.460 115 H N -0.173 118.791 119.070 -0.177 0.000 2.319 115 H HA -0.121 4.434 4.556 -0.000 0.000 0.299 115 H C 2.157 177.369 175.328 -0.193 0.000 1.092 115 H CA 1.228 57.160 56.048 -0.194 0.000 1.302 115 H CB -0.194 29.482 29.762 -0.143 0.000 1.373 115 H HN 0.286 nan 8.280 nan 0.000 0.497 116 N N 1.132 119.708 118.700 -0.207 0.000 2.069 116 N HA -0.187 4.553 4.740 -0.000 0.000 0.191 116 N C 1.823 177.228 175.510 -0.175 0.000 1.031 116 N CA 0.984 53.873 53.050 -0.268 0.000 0.852 116 N CB -0.237 37.962 38.487 -0.480 0.000 1.018 116 N HN 0.410 nan 8.380 nan 0.000 0.423 117 N N -0.195 118.408 118.700 -0.162 0.000 2.166 117 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 117 N C 1.879 177.283 175.510 -0.176 0.000 1.019 117 N CA 0.691 53.653 53.050 -0.147 0.000 0.856 117 N CB -0.247 38.172 38.487 -0.112 0.000 0.993 117 N HN 0.240 nan 8.380 nan 0.000 0.426 118 F N 0.720 120.456 119.950 -0.357 0.000 2.075 118 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 118 F C 1.741 177.229 175.800 -0.521 0.000 1.113 118 F CA 1.619 59.317 58.000 -0.504 0.000 1.218 118 F CB -0.885 37.659 39.000 -0.760 0.000 0.984 118 F HN 0.063 nan 8.300 nan 0.000 0.472 119 W N 0.627 121.558 121.300 -0.614 0.000 2.358 119 W HA -0.119 4.541 4.660 -0.000 0.000 0.303 119 W C 2.831 179.001 176.519 -0.582 0.000 1.208 119 W CA 1.476 58.365 57.345 -0.759 0.000 1.274 119 W CB -0.687 28.335 29.460 -0.730 0.000 1.138 119 W HN -0.061 nan 8.180 nan 0.000 0.515 120 R N 0.152 120.518 120.500 -0.222 0.000 2.083 120 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 120 R C 1.959 178.115 176.300 -0.239 0.000 1.137 120 R CA 2.249 58.223 56.100 -0.210 0.000 0.951 120 R CB -0.689 29.498 30.300 -0.188 0.000 0.851 120 R HN 0.045 nan 8.270 nan 0.000 0.434 121 T N 1.242 115.623 114.554 -0.288 0.000 2.777 121 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 121 T C 1.836 176.344 174.700 -0.321 0.000 1.040 121 T CA 1.307 63.247 62.100 -0.266 0.000 1.141 121 T CB -0.051 68.676 68.868 -0.235 0.000 0.868 121 T HN 0.163 nan 8.240 nan 0.000 0.444 122 M N 1.667 120.989 119.600 -0.464 0.000 2.082 122 M HA -0.115 4.365 4.480 -0.000 0.000 0.258 122 M C 1.845 177.992 176.300 -0.256 0.000 1.069 122 M CA 1.539 56.597 55.300 -0.403 0.000 1.102 122 M CB -1.094 31.198 32.600 -0.514 0.000 1.336 122 M HN 0.192 nan 8.290 nan 0.000 0.404 123 D N 0.403 120.668 120.400 -0.225 0.000 2.149 123 D HA -0.120 4.520 4.640 -0.000 0.000 0.201 123 D C 1.605 177.825 176.300 -0.133 0.000 0.972 123 D CA 1.011 54.915 54.000 -0.161 0.000 0.835 123 D CB -0.311 40.403 40.800 -0.143 0.000 0.966 123 D HN 0.292 nan 8.370 nan 0.000 0.476 124 D N 0.438 120.755 120.400 -0.138 0.000 2.104 124 D HA -0.133 4.507 4.640 -0.000 0.000 0.194 124 D C 2.204 178.481 176.300 -0.040 0.000 0.994 124 D CA 0.837 54.784 54.000 -0.089 0.000 0.830 124 D CB -0.264 40.481 40.800 -0.091 0.000 0.959 124 D HN 0.251 nan 8.370 nan 0.000 0.452 125 M N 0.177 119.721 119.600 -0.092 0.000 2.117 125 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 125 M C 2.354 178.686 176.300 0.054 0.000 1.065 125 M CA 1.634 56.895 55.300 -0.065 0.000 1.114 125 M CB -0.457 31.835 32.600 -0.512 0.000 1.361 125 M HN 0.031 nan 8.290 nan 0.000 0.408 126 G N 0.224 108.994 108.800 -0.051 0.000 2.450 126 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 126 G C 1.616 176.512 174.900 -0.006 0.000 1.130 126 G CA 0.611 45.691 45.100 -0.034 0.000 0.760 126 G HN 0.407 nan 8.290 nan 0.000 0.557 127 R N 0.104 120.595 120.500 -0.015 0.000 2.241 127 R HA -0.009 4.330 4.340 -0.000 0.000 0.224 127 R C 1.625 177.929 176.300 0.008 0.000 1.101 127 R CA 0.859 56.946 56.100 -0.022 0.000 0.995 127 R CB 0.055 30.334 30.300 -0.034 0.000 0.870 127 R HN 0.268 nan 8.270 nan 0.000 0.463 128 E N 0.189 120.433 120.200 0.074 0.000 2.479 128 E HA 0.099 4.449 4.350 -0.000 0.000 0.193 128 E C 0.037 176.663 176.600 0.043 0.000 1.049 128 E CA 0.307 56.743 56.400 0.060 0.000 0.870 128 E CB 0.434 30.196 29.700 0.104 0.000 0.944 128 E HN 0.315 nan 8.360 nan 0.000 0.492 129 I N 2.805 123.419 120.570 0.073 0.000 2.354 129 I HA 0.204 4.374 4.170 -0.000 0.000 0.286 129 I C -2.410 173.711 176.117 0.006 0.000 1.007 129 I CA -2.363 58.978 61.300 0.067 0.000 1.167 129 I CB 1.473 39.581 38.000 0.181 0.000 1.320 129 I HN -0.337 nan 8.210 nan 0.000 0.458 130 P HA 0.109 nan 4.420 nan 0.000 0.267 130 P C 0.513 177.784 177.300 -0.047 0.000 1.205 130 P CA 0.184 63.215 63.100 -0.115 0.000 0.765 130 P CB 0.909 32.482 31.700 -0.211 0.000 0.828 131 S N 2.116 117.807 115.700 -0.015 0.000 2.370 131 S HA -0.168 4.302 4.470 -0.000 0.000 0.226 131 S C 1.273 175.981 174.600 0.180 0.000 1.033 131 S CA 1.836 60.108 58.200 0.120 0.000 1.011 131 S CB -0.594 62.584 63.200 -0.038 0.000 0.852 131 S HN 0.681 nan 8.310 nan 0.000 0.457 132 D N 0.382 120.736 120.400 -0.077 0.000 2.339 132 D HA 0.266 4.905 4.640 -0.000 0.000 0.217 132 D C 0.263 176.335 176.300 -0.379 0.000 1.050 132 D CA 0.352 54.257 54.000 -0.159 0.000 0.856 132 D CB 0.088 40.733 40.800 -0.259 0.000 0.922 132 D HN 0.273 nan 8.370 nan 0.000 0.518 133 A N 1.129 123.556 122.820 -0.655 0.000 3.330 133 A HA 0.325 4.645 4.320 -0.000 0.000 0.256 133 A C -2.154 174.622 177.584 -1.347 0.000 1.185 133 A CA -0.732 50.422 52.037 -1.471 0.000 0.940 133 A CB 0.755 19.194 19.000 -0.935 0.000 1.397 133 A HN -0.090 nan 8.150 nan 0.000 0.678 134 P HA -0.180 nan 4.420 nan 0.000 0.219 134 P C 1.277 178.362 177.300 -0.359 0.000 1.146 134 P CA 1.527 64.305 63.100 -0.535 0.000 0.808 134 P CB -0.360 30.998 31.700 -0.571 0.000 0.779 135 W N 1.000 122.219 121.300 -0.135 0.000 2.632 135 W HA 0.075 4.735 4.660 -0.000 0.000 0.248 135 W C 1.278 177.748 176.519 -0.081 0.000 1.259 135 W CA 0.421 57.709 57.345 -0.095 0.000 1.288 135 W CB -1.458 27.942 29.460 -0.100 0.000 1.136 135 W HN -0.095 nan 8.180 nan 0.000 0.640 136 K N 0.785 120.981 120.400 -0.340 0.000 2.374 136 K HA 0.326 4.646 4.320 -0.000 0.000 0.196 136 K C 0.986 177.489 176.600 -0.162 0.000 1.023 136 K CA 0.153 56.327 56.287 -0.189 0.000 1.103 136 K CB 0.017 32.368 32.500 -0.249 0.000 0.848 136 K HN 0.096 nan 8.250 nan 0.000 0.528 137 A N 2.407 125.129 122.820 -0.164 0.000 2.531 137 A HA 0.072 4.392 4.320 -0.000 0.000 0.236 137 A C -1.609 175.843 177.584 -0.221 0.000 1.062 137 A CA -0.959 50.976 52.037 -0.170 0.000 0.760 137 A CB 0.075 18.993 19.000 -0.136 0.000 0.995 137 A HN -0.009 nan 8.150 nan 0.000 0.501 138 P HA -0.138 nan 4.420 nan 0.000 0.216 138 P C 0.518 177.620 177.300 -0.329 0.000 1.150 138 P CA 1.272 64.230 63.100 -0.238 0.000 0.843 138 P CB 0.031 31.602 31.700 -0.214 0.000 0.787 139 L N -2.180 118.685 121.223 -0.597 0.000 2.984 139 L HA 0.354 4.694 4.340 -0.000 0.000 0.246 139 L C 1.859 178.338 176.870 -0.652 0.000 1.268 139 L CA -0.308 54.084 54.840 -0.746 0.000 1.054 139 L CB -0.542 40.778 42.059 -1.233 0.000 1.393 139 L HN -0.104 nan 8.230 nan 0.000 0.532 140 A N 0.587 123.203 122.820 -0.340 0.000 1.873 140 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 140 A C 2.201 179.781 177.584 -0.006 0.000 1.193 140 A CA 1.835 53.808 52.037 -0.107 0.000 0.629 140 A CB -0.176 18.809 19.000 -0.025 0.000 0.826 140 A HN 0.521 nan 8.150 nan 0.000 0.447 141 E N -1.019 119.162 120.200 -0.032 0.000 2.047 141 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 141 E C 2.143 178.776 176.600 0.054 0.000 0.987 141 E CA 1.119 57.533 56.400 0.023 0.000 0.799 141 E CB -0.207 29.494 29.700 0.003 0.000 0.752 141 E HN 0.825 nan 8.360 nan 0.000 0.449 142 E N 0.179 120.381 120.200 0.004 0.000 2.070 142 E HA -0.214 4.136 4.350 -0.000 0.000 0.197 142 E C 1.714 178.477 176.600 0.272 0.000 1.004 142 E CA 1.372 57.822 56.400 0.083 0.000 0.805 142 E CB -0.019 29.687 29.700 0.011 0.000 0.744 142 E HN 0.286 nan 8.360 nan 0.000 0.451 143 W N 0.856 122.197 121.300 0.067 0.000 2.436 143 W HA -0.008 4.652 4.660 -0.000 0.000 0.284 143 W C 1.932 178.522 176.519 0.118 0.000 1.225 143 W CA 0.664 58.061 57.345 0.088 0.000 1.271 143 W CB -0.976 28.536 29.460 0.087 0.000 1.114 143 W HN 0.228 nan 8.180 nan 0.000 0.559 144 D N -0.254 120.343 120.400 0.330 0.000 2.269 144 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 144 D C 1.284 177.713 176.300 0.214 0.000 0.963 144 D CA 0.933 55.093 54.000 0.266 0.000 0.864 144 D CB -0.201 40.729 40.800 0.217 0.000 0.936 144 D HN -0.110 nan 8.370 nan 0.000 0.505 145 N N -0.190 118.620 118.700 0.184 0.000 2.383 145 N HA 0.091 4.831 4.740 -0.000 0.000 0.192 145 N C 0.021 175.612 175.510 0.135 0.000 1.141 145 N CA 0.155 53.289 53.050 0.140 0.000 0.851 145 N CB 0.039 38.591 38.487 0.108 0.000 0.976 145 N HN 0.460 nan 8.380 nan 0.000 0.465 146 M N -1.465 118.232 119.600 0.160 0.000 2.591 146 M HA 0.495 4.975 4.480 -0.000 0.000 0.306 146 M C -0.057 176.324 176.300 0.135 0.000 1.190 146 M CA -0.877 54.500 55.300 0.130 0.000 0.889 146 M CB 1.891 34.564 32.600 0.121 0.000 1.728 146 M HN -0.124 nan 8.290 nan 0.000 0.458 147 T N -0.770 113.845 114.554 0.103 0.000 2.849 147 T HA 0.280 4.630 4.350 -0.000 0.000 0.284 147 T C 1.079 175.816 174.700 0.062 0.000 1.004 147 T CA -0.819 61.339 62.100 0.096 0.000 1.021 147 T CB 0.850 69.765 68.868 0.079 0.000 1.013 147 T HN 0.779 nan 8.240 nan 0.000 0.527 148 M N 0.312 119.933 119.600 0.034 0.000 2.279 148 M HA -0.023 4.457 4.480 -0.000 0.000 0.264 148 M C 2.183 178.448 176.300 -0.057 0.000 1.062 148 M CA 1.522 56.801 55.300 -0.034 0.000 1.099 148 M CB -1.282 31.217 32.600 -0.168 0.000 1.394 148 M HN 0.861 nan 8.290 nan 0.000 0.426 149 K N 0.609 120.985 120.400 -0.040 0.000 2.026 149 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 149 K C 1.690 178.269 176.600 -0.035 0.000 1.048 149 K CA 1.639 57.905 56.287 -0.035 0.000 0.929 149 K CB 0.028 32.541 32.500 0.021 0.000 0.713 149 K HN 0.400 nan 8.250 nan 0.000 0.439 150 E N 0.614 120.808 120.200 -0.010 0.000 2.085 150 E HA -0.224 4.126 4.350 -0.000 0.000 0.194 150 E C 2.042 178.627 176.600 -0.025 0.000 0.994 150 E CA 1.109 57.501 56.400 -0.013 0.000 0.801 150 E CB -0.159 29.550 29.700 0.015 0.000 0.743 150 E HN 0.184 nan 8.360 nan 0.000 0.453 151 L N 1.181 122.393 121.223 -0.019 0.000 2.017 151 L HA -0.168 4.172 4.340 -0.000 0.000 0.208 151 L C 2.073 178.920 176.870 -0.039 0.000 1.073 151 L CA 1.587 56.408 54.840 -0.032 0.000 0.745 151 L CB -0.388 41.645 42.059 -0.043 0.000 0.894 151 L HN 0.129 nan 8.230 nan 0.000 0.432 152 L N -0.863 120.326 121.223 -0.057 0.000 2.046 152 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 152 L C 2.244 179.036 176.870 -0.130 0.000 1.077 152 L CA 1.316 56.091 54.840 -0.108 0.000 0.747 152 L CB -0.956 40.997 42.059 -0.176 0.000 0.896 152 L HN 0.274 nan 8.230 nan 0.000 0.432 153 D N 0.382 120.713 120.400 -0.115 0.000 2.149 153 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 153 D C 2.205 178.409 176.300 -0.160 0.000 0.990 153 D CA 1.232 55.151 54.000 -0.136 0.000 0.839 153 D CB 0.003 40.738 40.800 -0.109 0.000 0.948 153 D HN 0.292 nan 8.370 nan 0.000 0.460 154 K N -0.129 120.207 120.400 -0.108 0.000 2.031 154 K HA 0.041 4.361 4.320 -0.000 0.000 0.205 154 K C 2.258 178.829 176.600 -0.049 0.000 1.049 154 K CA 0.539 56.773 56.287 -0.088 0.000 0.939 154 K CB 0.023 32.507 32.500 -0.027 0.000 0.717 154 K HN 0.120 nan 8.250 nan 0.000 0.438 155 L N 0.396 121.614 121.223 -0.008 0.000 2.162 155 L HA -0.023 4.317 4.340 -0.000 0.000 0.205 155 L C 0.692 177.641 176.870 0.131 0.000 1.086 155 L CA 0.095 54.985 54.840 0.084 0.000 0.778 155 L CB 0.128 42.233 42.059 0.077 0.000 0.928 155 L HN 0.150 nan 8.230 nan 0.000 0.446 156 C N -0.168 119.117 119.300 -0.024 0.000 2.281 156 C HA 0.093 4.553 4.460 -0.000 0.000 0.336 156 C C 0.882 175.855 174.990 -0.028 0.000 1.217 156 C CA -0.963 58.021 59.018 -0.057 0.000 1.730 156 C CB -0.962 26.632 27.740 -0.243 0.000 2.338 156 C HN 0.471 nan 8.230 nan 0.000 0.521 157 W N 1.929 123.169 121.300 -0.100 0.000 3.139 157 W HA 0.114 4.774 4.660 -0.000 0.000 0.260 157 W C 1.453 177.937 176.519 -0.058 0.000 1.312 157 W CA 0.168 57.474 57.345 -0.066 0.000 1.606 157 W CB -0.134 29.299 29.460 -0.044 0.000 1.118 157 W HN 0.663 nan 8.180 nan 0.000 0.675 158 T N -3.611 111.001 114.554 0.096 0.000 2.887 158 T HA 0.296 4.646 4.350 -0.000 0.000 0.288 158 T C 0.820 175.502 174.700 -0.031 0.000 1.021 158 T CA -0.645 61.482 62.100 0.046 0.000 1.000 158 T CB 2.602 71.518 68.868 0.081 0.000 1.034 158 T HN -0.234 nan 8.240 nan 0.000 0.467 159 E N 1.124 121.313 120.200 -0.019 0.000 2.153 159 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 159 E C 2.139 178.719 176.600 -0.033 0.000 0.988 159 E CA 1.193 57.569 56.400 -0.040 0.000 0.811 159 E CB -0.436 29.253 29.700 -0.018 0.000 0.746 159 E HN 0.737 nan 8.360 nan 0.000 0.466 160 S N 0.576 116.291 115.700 0.025 0.000 2.359 160 S HA -0.227 4.243 4.470 -0.000 0.000 0.223 160 S C 2.076 176.676 174.600 0.001 0.000 1.039 160 S CA 1.801 60.067 58.200 0.109 0.000 1.042 160 S CB -0.145 63.196 63.200 0.234 0.000 0.915 160 S HN 0.318 nan 8.310 nan 0.000 0.439 161 A N 1.185 123.873 122.820 -0.220 0.000 1.902 161 A HA -0.082 4.238 4.320 -0.000 0.000 0.217 161 A C 2.182 179.384 177.584 -0.636 0.000 1.181 161 A CA 1.882 53.456 52.037 -0.771 0.000 0.623 161 A CB -0.757 17.835 19.000 -0.680 0.000 0.818 161 A HN 0.656 nan 8.150 nan 0.000 0.443 162 K N -0.553 119.604 120.400 -0.406 0.000 2.057 162 K HA -0.216 4.104 4.320 -0.000 0.000 0.207 162 K C 2.242 178.672 176.600 -0.282 0.000 1.049 162 K CA 1.744 57.809 56.287 -0.370 0.000 0.931 162 K CB -0.184 32.176 32.500 -0.234 0.000 0.714 162 K HN 0.631 nan 8.250 nan 0.000 0.440 163 Q N 0.292 119.992 119.800 -0.166 0.000 2.050 163 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 163 Q C 2.092 178.070 176.000 -0.036 0.000 0.980 163 Q CA 1.383 57.150 55.803 -0.059 0.000 0.840 163 Q CB -0.100 28.650 28.738 0.021 0.000 0.898 163 Q HN 0.215 nan 8.270 nan 0.000 0.424 164 L N 0.437 121.615 121.223 -0.074 0.000 2.056 164 L HA -0.074 4.266 4.340 -0.000 0.000 0.207 164 L C 2.104 178.890 176.870 -0.140 0.000 1.078 164 L CA 1.982 56.812 54.840 -0.017 0.000 0.749 164 L CB -0.826 41.246 42.059 0.022 0.000 0.901 164 L HN 0.144 nan 8.230 nan 0.000 0.433 165 A N -1.668 120.841 122.820 -0.518 0.000 1.933 165 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 165 A C 2.255 179.710 177.584 -0.216 0.000 1.175 165 A CA 2.278 53.901 52.037 -0.690 0.000 0.628 165 A CB -1.152 16.952 19.000 -1.494 0.000 0.814 165 A HN 0.505 nan 8.150 nan 0.000 0.444 166 T N 0.057 114.496 114.554 -0.192 0.000 2.737 166 T HA -0.114 4.236 4.350 -0.000 0.000 0.265 166 T C 1.872 176.573 174.700 0.003 0.000 1.038 166 T CA 1.350 63.391 62.100 -0.099 0.000 1.144 166 T CB -0.397 68.424 68.868 -0.080 0.000 0.866 166 T HN 0.405 nan 8.240 nan 0.000 0.434 167 L N 0.197 121.468 121.223 0.080 0.000 2.042 167 L HA -0.086 4.254 4.340 -0.000 0.000 0.210 167 L C 2.233 179.239 176.870 0.226 0.000 1.076 167 L CA 1.569 56.513 54.840 0.173 0.000 0.749 167 L CB -0.401 41.808 42.059 0.251 0.000 0.893 167 L HN 0.214 nan 8.230 nan 0.000 0.432 168 F N -0.350 119.667 119.950 0.112 0.000 2.095 168 F HA -0.249 4.278 4.527 -0.000 0.000 0.298 168 F C 2.096 178.025 175.800 0.215 0.000 1.104 168 F CA 2.117 60.241 58.000 0.207 0.000 1.232 168 F CB -0.556 38.602 39.000 0.262 0.000 0.987 168 F HN -0.121 nan 8.300 nan 0.000 0.475 169 V N 0.970 120.884 119.914 0.001 0.000 2.261 169 V HA -0.358 3.762 4.120 -0.000 0.000 0.246 169 V C 2.033 178.027 176.094 -0.167 0.000 1.047 169 V CA 2.476 64.586 62.300 -0.318 0.000 1.015 169 V CB -1.062 30.431 31.823 -0.550 0.000 0.642 169 V HN 0.410 nan 8.190 nan 0.000 0.446 170 N N 0.049 118.692 118.700 -0.096 0.000 2.094 170 N HA -0.226 4.514 4.740 -0.000 0.000 0.191 170 N C 1.750 177.229 175.510 -0.051 0.000 1.023 170 N CA 1.397 54.405 53.050 -0.070 0.000 0.857 170 N CB -0.215 38.274 38.487 0.002 0.000 1.013 170 N HN 0.338 nan 8.380 nan 0.000 0.426 171 L N 0.738 121.970 121.223 0.015 0.000 2.072 171 L HA -0.006 4.334 4.340 -0.000 0.000 0.205 171 L C 2.039 178.955 176.870 0.077 0.000 1.079 171 L CA 1.448 56.315 54.840 0.045 0.000 0.752 171 L CB -0.551 41.555 42.059 0.078 0.000 0.906 171 L HN 0.212 nan 8.230 nan 0.000 0.436 172 C N -1.297 118.019 119.300 0.027 0.000 2.440 172 C HA -0.015 4.445 4.460 -0.000 0.000 0.278 172 C C 2.219 177.327 174.990 0.197 0.000 1.295 172 C CA 0.945 60.038 59.018 0.125 0.000 1.738 172 C CB -0.594 27.135 27.740 -0.018 0.000 1.987 172 C HN 0.571 nan 8.230 nan 0.000 0.492 173 V N -1.992 117.945 119.914 0.039 0.000 3.252 173 V HA 0.300 4.420 4.120 -0.000 0.000 0.320 173 V C 0.759 176.739 176.094 -0.191 0.000 1.459 173 V CA 0.766 63.045 62.300 -0.035 0.000 1.095 173 V CB -1.345 30.567 31.823 0.148 0.000 0.997 173 V HN 0.522 nan 8.190 nan 0.000 0.469 174 T N -1.390 112.961 114.554 -0.338 0.000 3.760 174 T HA -0.093 4.257 4.350 -0.000 0.000 0.366 174 T C 0.144 174.685 174.700 -0.264 0.000 0.761 174 T CA 1.335 63.207 62.100 -0.379 0.000 1.887 174 T CB -2.573 65.927 68.868 -0.613 0.000 1.811 174 T HN 2.442 nan 8.240 nan 0.000 0.749 175 A N -0.270 122.387 122.820 -0.272 0.000 2.587 175 A HA 0.722 5.042 4.320 -0.000 0.000 0.293 175 A C -0.375 177.003 177.584 -0.345 0.000 1.087 175 A CA -1.055 50.745 52.037 -0.393 0.000 0.692 175 A CB 1.236 19.785 19.000 -0.752 0.000 1.291 175 A HN 0.344 nan 8.150 nan 0.000 0.407 176 E N 0.669 120.621 120.200 -0.414 0.000 2.373 176 E HA 0.209 4.559 4.350 -0.000 0.000 0.263 176 E C 1.289 177.589 176.600 -0.500 0.000 1.073 176 E CA 0.585 56.706 56.400 -0.465 0.000 0.894 176 E CB 0.853 30.085 29.700 -0.781 0.000 1.008 176 E HN 0.806 nan 8.360 nan 0.000 0.420 177 T N -1.085 113.252 114.554 -0.360 0.000 2.803 177 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 177 T C 1.444 176.027 174.700 -0.196 0.000 1.052 177 T CA 1.710 63.651 62.100 -0.264 0.000 1.136 177 T CB -0.384 68.377 68.868 -0.178 0.000 0.864 177 T HN 0.630 nan 8.240 nan 0.000 0.467 178 H N 0.609 119.622 119.070 -0.095 0.000 2.547 178 H HA 0.245 4.801 4.556 -0.000 0.000 0.272 178 H C 1.525 176.826 175.328 -0.045 0.000 0.989 178 H CA 0.837 56.849 56.048 -0.061 0.000 1.214 178 H CB -0.208 29.518 29.762 -0.060 0.000 1.389 178 H HN 0.505 nan 8.280 nan 0.000 0.577 179 E N 1.400 121.402 120.200 -0.330 0.000 2.230 179 E HA 0.034 4.384 4.350 -0.000 0.000 0.192 179 E C 0.811 177.378 176.600 -0.056 0.000 0.987 179 E CA 0.521 56.809 56.400 -0.185 0.000 0.841 179 E CB 0.710 30.148 29.700 -0.437 0.000 0.783 179 E HN 0.365 nan 8.360 nan 0.000 0.481 180 V N -0.992 118.885 119.914 -0.062 0.000 2.581 180 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 180 V C -0.005 176.238 176.094 0.248 0.000 1.041 180 V CA -1.180 61.202 62.300 0.137 0.000 0.907 180 V CB 1.846 33.803 31.823 0.224 0.000 0.994 180 V HN -0.030 nan 8.190 nan 0.000 0.442 181 S N 3.413 119.336 115.700 0.372 0.000 2.549 181 S HA 0.416 4.886 4.470 -0.000 0.000 0.286 181 S C 1.448 176.306 174.600 0.430 0.000 1.314 181 S CA 0.205 58.635 58.200 0.382 0.000 1.062 181 S CB 0.908 64.370 63.200 0.436 0.000 0.865 181 S HN 1.761 nan 8.310 nan 0.000 0.498 182 A N 4.929 127.931 122.820 0.303 0.000 1.902 182 A HA -0.025 4.295 4.320 -0.000 0.000 0.217 182 A C 2.022 179.787 177.584 0.302 0.000 1.181 182 A CA 1.582 53.769 52.037 0.250 0.000 0.623 182 A CB -0.907 18.162 19.000 0.115 0.000 0.818 182 A HN 0.965 nan 8.150 nan 0.000 0.443 183 L N -1.410 120.036 121.223 0.372 0.000 2.012 183 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 183 L C 2.227 179.339 176.870 0.403 0.000 1.073 183 L CA 2.580 57.670 54.840 0.417 0.000 0.748 183 L CB -0.814 41.490 42.059 0.408 0.000 0.891 183 L HN 0.657 nan 8.230 nan 0.000 0.431 184 W N -0.557 120.916 121.300 0.289 0.000 2.355 184 W HA -0.287 4.373 4.660 -0.000 0.000 0.309 184 W C 2.360 179.163 176.519 0.473 0.000 1.206 184 W CA 1.981 59.522 57.345 0.327 0.000 1.284 184 W CB -0.696 28.942 29.460 0.296 0.000 1.145 184 W HN 0.291 nan 8.180 nan 0.000 0.502 185 F N 0.751 120.781 119.950 0.134 0.000 2.134 185 F HA -0.170 4.357 4.527 -0.000 0.000 0.299 185 F C 2.107 177.844 175.800 -0.106 0.000 1.097 185 F CA 2.160 60.048 58.000 -0.186 0.000 1.264 185 F CB -0.690 38.337 39.000 0.044 0.000 1.001 185 F HN -0.170 nan 8.300 nan 0.000 0.479 186 L N -1.284 119.959 121.223 0.033 0.000 2.046 186 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 186 L C 2.306 179.108 176.870 -0.113 0.000 1.077 186 L CA 1.687 56.483 54.840 -0.074 0.000 0.747 186 L CB -1.040 40.997 42.059 -0.036 0.000 0.896 186 L HN 0.448 nan 8.230 nan 0.000 0.432 187 W N 0.055 121.238 121.300 -0.195 0.000 2.355 187 W HA -0.312 4.348 4.660 -0.000 0.000 0.309 187 W C 2.624 178.939 176.519 -0.340 0.000 1.206 187 W CA 1.547 58.760 57.345 -0.221 0.000 1.284 187 W CB -0.614 28.750 29.460 -0.159 0.000 1.145 187 W HN 0.106 nan 8.180 nan 0.000 0.502 188 Y N 0.591 120.450 120.300 -0.734 0.000 2.165 188 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 188 Y C 2.367 177.729 175.900 -0.898 0.000 1.155 188 Y CA 2.967 60.431 58.100 -1.061 0.000 1.164 188 Y CB -0.780 37.010 38.460 -1.117 0.000 0.978 188 Y HN -0.135 nan 8.280 nan 0.000 0.513 189 V N 0.879 120.387 119.914 -0.677 0.000 2.307 189 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 189 V C 2.501 178.285 176.094 -0.517 0.000 1.045 189 V CA 2.189 64.176 62.300 -0.521 0.000 1.024 189 V CB -0.681 30.931 31.823 -0.351 0.000 0.651 189 V HN 0.311 nan 8.190 nan 0.000 0.449 190 K N 1.141 121.253 120.400 -0.480 0.000 2.063 190 K HA -0.260 4.060 4.320 -0.000 0.000 0.208 190 K C 2.144 178.424 176.600 -0.533 0.000 1.048 190 K CA 2.306 58.348 56.287 -0.408 0.000 0.928 190 K CB -0.170 32.158 32.500 -0.286 0.000 0.713 190 K HN 0.719 nan 8.250 nan 0.000 0.442 191 Q N -0.785 118.544 119.800 -0.785 0.000 2.472 191 Q HA -0.002 4.338 4.340 -0.000 0.000 0.208 191 Q C 1.507 176.988 176.000 -0.866 0.000 0.958 191 Q CA 1.028 56.358 55.803 -0.788 0.000 0.932 191 Q CB -0.468 27.607 28.738 -1.104 0.000 1.007 191 Q HN 0.158 nan 8.270 nan 0.000 0.508 192 C N 0.079 118.725 119.300 -1.090 0.000 2.791 192 C HA 0.601 5.061 4.460 -0.000 0.000 0.270 192 C C 1.557 175.821 174.990 -1.210 0.000 1.257 192 C CA 0.185 58.170 59.018 -1.721 0.000 1.699 192 C CB -0.861 25.896 27.740 -1.637 0.000 1.904 192 C HN 0.833 nan 8.230 nan 0.000 0.603 193 G N 0.045 108.460 108.800 -0.642 0.000 2.159 193 G HA2 0.293 4.253 3.960 -0.000 0.000 0.227 193 G HA3 0.293 4.253 3.960 -0.000 0.000 0.227 193 G C 0.455 175.211 174.900 -0.240 0.000 0.986 193 G CA 0.010 44.906 45.100 -0.341 0.000 0.651 193 G HN 1.636 nan 8.290 nan 0.000 0.523 194 G N -2.095 106.544 108.800 -0.267 0.000 2.525 194 G HA2 0.346 4.306 3.960 -0.000 0.000 0.685 194 G HA3 0.346 4.306 3.960 -0.000 0.000 0.685 194 G C 0.990 175.872 174.900 -0.030 0.000 1.290 194 G CA 0.967 45.979 45.100 -0.147 0.000 0.915 194 G HN 1.820 nan 8.290 nan 0.000 0.548 195 T N -2.931 111.648 114.554 0.042 0.000 2.708 195 T HA -0.101 4.249 4.350 -0.000 0.000 0.266 195 T C 2.348 177.208 174.700 0.267 0.000 1.037 195 T CA 2.944 65.158 62.100 0.190 0.000 1.146 195 T CB -0.812 68.106 68.868 0.084 0.000 0.865 195 T HN 0.940 nan 8.240 nan 0.000 0.435 196 T N 1.365 116.036 114.554 0.195 0.000 2.708 196 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 196 T C 2.132 176.900 174.700 0.112 0.000 1.037 196 T CA 1.541 63.766 62.100 0.208 0.000 1.146 196 T CB -0.324 68.639 68.868 0.158 0.000 0.865 196 T HN 0.307 nan 8.240 nan 0.000 0.435 197 R N 0.926 121.471 120.500 0.076 0.000 2.081 197 R HA 0.124 4.464 4.340 -0.000 0.000 0.235 197 R C 2.223 178.610 176.300 0.146 0.000 1.131 197 R CA 1.215 57.364 56.100 0.081 0.000 0.960 197 R CB -0.859 29.456 30.300 0.025 0.000 0.856 197 R HN 0.457 nan 8.270 nan 0.000 0.436 198 I N -0.705 119.937 120.570 0.120 0.000 2.394 198 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 198 I C 1.209 177.505 176.117 0.298 0.000 1.136 198 I CA 1.007 62.426 61.300 0.199 0.000 1.425 198 I CB 0.038 38.112 38.000 0.123 0.000 1.079 198 I HN 0.207 nan 8.210 nan 0.000 0.425 199 F N 0.402 120.423 119.950 0.119 0.000 2.746 199 F HA 0.251 4.778 4.527 -0.000 0.000 0.297 199 F C 1.311 177.037 175.800 -0.124 0.000 1.113 199 F CA -0.191 57.827 58.000 0.029 0.000 1.367 199 F CB 0.133 39.126 39.000 -0.011 0.000 1.111 199 F HN -0.176 nan 8.300 nan 0.000 0.590 200 S N 0.069 115.707 115.700 -0.103 0.000 2.565 200 S HA 0.206 4.676 4.470 -0.000 0.000 0.274 200 S C 1.068 175.566 174.600 -0.170 0.000 1.309 200 S CA -0.188 57.905 58.200 -0.178 0.000 1.043 200 S CB 1.644 64.788 63.200 -0.094 0.000 0.939 200 S HN 0.185 nan 8.310 nan 0.000 0.504 201 T N 2.223 116.662 114.554 -0.192 0.000 2.764 201 T HA 0.021 4.371 4.350 -0.000 0.000 0.243 201 T C 0.606 175.230 174.700 -0.127 0.000 1.065 201 T CA 0.647 62.640 62.100 -0.177 0.000 1.219 201 T CB -0.377 68.377 68.868 -0.190 0.000 0.918 201 T HN 0.609 nan 8.240 nan 0.000 0.409 202 T N 3.561 118.052 114.554 -0.104 0.000 2.831 202 T HA 0.095 4.445 4.350 -0.000 0.000 0.291 202 T C 0.710 175.375 174.700 -0.057 0.000 0.981 202 T CA 0.414 62.471 62.100 -0.072 0.000 1.174 202 T CB -0.195 68.641 68.868 -0.054 0.000 0.929 202 T HN 0.522 nan 8.240 nan 0.000 0.532 203 N N 0.804 119.476 118.700 -0.046 0.000 2.782 203 N HA -0.146 4.594 4.740 -0.000 0.000 0.251 203 N C 0.138 175.641 175.510 -0.011 0.000 1.101 203 N CA 1.425 54.460 53.050 -0.025 0.000 0.764 203 N CB -1.058 37.423 38.487 -0.009 0.000 1.122 203 N HN 0.959 nan 8.380 nan 0.000 0.561 204 G N -3.142 105.639 108.800 -0.033 0.000 2.975 204 G HA2 0.568 4.528 3.960 -0.000 0.000 0.291 204 G HA3 0.568 4.528 3.960 -0.000 0.000 0.291 204 G C 0.967 175.842 174.900 -0.042 0.000 1.334 204 G CA -0.022 45.084 45.100 0.009 0.000 0.843 204 G HN 0.292 nan 8.290 nan 0.000 0.548 205 G N -0.909 107.907 108.800 0.027 0.000 2.470 205 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.220 205 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.220 205 G C 1.162 175.982 174.900 -0.134 0.000 1.121 205 G CA 0.979 45.995 45.100 -0.140 0.000 0.766 205 G HN 0.405 nan 8.290 nan 0.000 0.553 206 Q N -0.384 119.326 119.800 -0.150 0.000 2.201 206 Q HA 0.271 4.611 4.340 -0.000 0.000 0.217 206 Q C 1.655 177.518 176.000 -0.228 0.000 0.860 206 Q CA -0.112 55.520 55.803 -0.285 0.000 0.984 206 Q CB 0.693 29.150 28.738 -0.468 0.000 1.095 206 Q HN 0.633 nan 8.270 nan 0.000 0.477 207 E N 0.472 120.573 120.200 -0.165 0.000 2.106 207 E HA -0.073 4.277 4.350 -0.000 0.000 0.192 207 E C -0.030 176.478 176.600 -0.153 0.000 0.984 207 E CA 0.768 57.080 56.400 -0.147 0.000 0.806 207 E CB 0.436 30.057 29.700 -0.131 0.000 0.750 207 E HN 0.157 nan 8.360 nan 0.000 0.458 208 R N -0.798 119.594 120.500 -0.179 0.000 2.836 208 R HA 0.456 4.796 4.340 -0.000 0.000 0.269 208 R C -1.067 175.021 176.300 -0.355 0.000 1.010 208 R CA -0.729 55.194 56.100 -0.294 0.000 0.930 208 R CB 2.030 32.135 30.300 -0.325 0.000 1.218 208 R HN -0.172 nan 8.270 nan 0.000 0.473 209 K N 0.647 120.676 120.400 -0.617 0.000 2.400 209 K HA 0.434 4.754 4.320 -0.000 0.000 0.246 209 K C -1.116 175.158 176.600 -0.544 0.000 0.995 209 K CA -0.706 55.225 56.287 -0.593 0.000 0.840 209 K CB 1.568 33.768 32.500 -0.501 0.000 1.293 209 K HN 0.242 nan 8.250 nan 0.000 0.445 210 F N 1.121 121.007 119.950 -0.106 0.000 2.427 210 F HA 0.141 4.668 4.527 -0.000 0.000 0.352 210 F C 0.485 176.343 175.800 0.095 0.000 1.100 210 F CA -0.937 57.050 58.000 -0.021 0.000 1.191 210 F CB 0.935 39.899 39.000 -0.061 0.000 1.128 210 F HN 0.018 nan 8.300 nan 0.000 0.533 211 V N 3.846 123.971 119.914 0.352 0.000 2.493 211 V HA 0.187 4.307 4.120 -0.000 0.000 0.292 211 V C 0.976 176.975 176.094 -0.158 0.000 1.016 211 V CA 1.272 63.700 62.300 0.214 0.000 1.097 211 V CB 0.073 31.997 31.823 0.168 0.000 0.947 211 V HN 1.116 nan 8.190 nan 0.000 0.479 212 G N 3.289 111.595 108.800 -0.824 0.000 2.199 212 G HA2 0.129 4.089 3.960 -0.000 0.000 0.254 212 G HA3 0.129 4.089 3.960 -0.000 0.000 0.254 212 G C 0.804 175.165 174.900 -0.898 0.000 0.982 212 G CA -0.041 44.276 45.100 -1.304 0.000 0.632 212 G HN 2.452 nan 8.290 nan 0.000 0.529 213 G N -1.527 107.037 108.800 -0.393 0.000 2.650 213 G HA2 0.374 4.334 3.960 -0.000 0.000 0.686 213 G HA3 0.374 4.334 3.960 -0.000 0.000 0.686 213 G C 0.807 175.712 174.900 0.009 0.000 1.205 213 G CA 0.846 45.913 45.100 -0.055 0.000 0.781 213 G HN 1.872 nan 8.290 nan 0.000 0.648 214 S N -0.009 115.754 115.700 0.104 0.000 2.453 214 S HA 0.124 4.594 4.470 -0.000 0.000 0.231 214 S C 2.547 177.133 174.600 -0.023 0.000 1.005 214 S CA 1.649 59.911 58.200 0.103 0.000 0.949 214 S CB -0.077 63.244 63.200 0.201 0.000 0.774 214 S HN 2.184 nan 8.310 nan 0.000 0.510 215 G N 1.391 110.188 108.800 -0.004 0.000 2.479 215 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.220 215 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.220 215 G C 1.446 176.317 174.900 -0.050 0.000 1.115 215 G CA 0.689 45.791 45.100 0.002 0.000 0.757 215 G HN 0.633 nan 8.290 nan 0.000 0.560 216 Q N -0.260 119.476 119.800 -0.107 0.000 2.226 216 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 216 Q C 2.751 178.654 176.000 -0.162 0.000 0.975 216 Q CA 0.998 56.717 55.803 -0.139 0.000 0.866 216 Q CB -0.165 28.464 28.738 -0.182 0.000 0.915 216 Q HN 0.444 nan 8.270 nan 0.000 0.440 217 V N 0.173 119.965 119.914 -0.205 0.000 2.261 217 V HA -0.282 3.838 4.120 -0.000 0.000 0.246 217 V C 2.130 178.159 176.094 -0.109 0.000 1.047 217 V CA 2.131 64.311 62.300 -0.200 0.000 1.015 217 V CB -0.582 31.106 31.823 -0.225 0.000 0.642 217 V HN 0.287 nan 8.190 nan 0.000 0.446 218 S N -0.773 114.887 115.700 -0.066 0.000 2.383 218 S HA -0.177 4.293 4.470 -0.000 0.000 0.227 218 S C 1.921 176.499 174.600 -0.037 0.000 1.026 218 S CA 1.376 59.556 58.200 -0.034 0.000 0.981 218 S CB -0.243 62.959 63.200 0.003 0.000 0.818 218 S HN 0.678 nan 8.310 nan 0.000 0.472 219 E N 1.023 121.200 120.200 -0.038 0.000 2.077 219 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 219 E C 2.349 178.917 176.600 -0.052 0.000 0.989 219 E CA 0.898 57.276 56.400 -0.036 0.000 0.800 219 E CB -0.068 29.611 29.700 -0.036 0.000 0.746 219 E HN 0.349 nan 8.360 nan 0.000 0.452 220 R N 0.200 120.657 120.500 -0.070 0.000 2.115 220 R HA -0.022 4.318 4.340 -0.000 0.000 0.226 220 R C 2.339 178.597 176.300 -0.070 0.000 1.100 220 R CA 0.814 56.870 56.100 -0.072 0.000 0.980 220 R CB -0.161 30.086 30.300 -0.089 0.000 0.875 220 R HN 0.220 nan 8.270 nan 0.000 0.445 221 I N 0.660 121.187 120.570 -0.071 0.000 2.315 221 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 221 I C 2.652 178.721 176.117 -0.081 0.000 1.117 221 I CA 1.098 62.354 61.300 -0.073 0.000 1.404 221 I CB -0.176 37.786 38.000 -0.063 0.000 1.071 221 I HN 0.196 nan 8.210 nan 0.000 0.419 222 M N 0.937 120.499 119.600 -0.065 0.000 2.117 222 M HA -0.247 4.233 4.480 -0.000 0.000 0.262 222 M C 1.649 177.910 176.300 -0.065 0.000 1.065 222 M CA 1.971 57.234 55.300 -0.062 0.000 1.114 222 M CB -0.200 32.375 32.600 -0.041 0.000 1.361 222 M HN 0.132 nan 8.290 nan 0.000 0.408 223 D N 0.750 121.115 120.400 -0.058 0.000 2.123 223 D HA -0.170 4.470 4.640 -0.000 0.000 0.196 223 D C 2.053 178.314 176.300 -0.065 0.000 0.992 223 D CA 1.488 55.456 54.000 -0.052 0.000 0.833 223 D CB -0.544 40.229 40.800 -0.045 0.000 0.954 223 D HN 0.436 nan 8.370 nan 0.000 0.455 224 L N 0.032 121.205 121.223 -0.084 0.000 2.083 224 L HA -0.111 4.229 4.340 -0.000 0.000 0.209 224 L C 2.401 179.155 176.870 -0.194 0.000 1.083 224 L CA 0.694 55.469 54.840 -0.109 0.000 0.752 224 L CB -0.248 41.747 42.059 -0.108 0.000 0.899 224 L HN 0.030 nan 8.230 nan 0.000 0.433 225 L N -1.200 119.898 121.223 -0.209 0.000 2.446 225 L HA 0.131 4.471 4.340 -0.000 0.000 0.219 225 L C 1.664 178.447 176.870 -0.144 0.000 1.116 225 L CA 0.425 55.103 54.840 -0.270 0.000 0.844 225 L CB -0.626 41.303 42.059 -0.216 0.000 0.970 225 L HN 0.442 nan 8.230 nan 0.000 0.457 226 G N 1.918 110.663 108.800 -0.091 0.000 2.591 226 G HA2 -0.452 3.508 3.960 -0.000 0.000 0.298 226 G HA3 -0.452 3.508 3.960 -0.000 0.000 0.298 226 G C 0.427 175.307 174.900 -0.033 0.000 1.195 226 G CA 0.543 45.615 45.100 -0.047 0.000 0.989 226 G HN 0.515 nan 8.290 nan 0.000 0.551 227 D N 0.829 121.221 120.400 -0.014 0.000 2.336 227 D HA 0.104 4.743 4.640 -0.000 0.000 0.229 227 D C 2.018 178.321 176.300 0.005 0.000 1.061 227 D CA 0.656 54.656 54.000 0.000 0.000 0.875 227 D CB -0.251 40.557 40.800 0.014 0.000 0.904 227 D HN 0.625 nan 8.370 nan 0.000 0.525 228 R N -0.076 120.417 120.500 -0.012 0.000 2.189 228 R HA 0.086 4.426 4.340 -0.000 0.000 0.218 228 R C 0.210 176.488 176.300 -0.037 0.000 1.074 228 R CA 0.338 56.431 56.100 -0.012 0.000 0.991 228 R CB 0.200 30.486 30.300 -0.023 0.000 0.883 228 R HN 0.107 nan 8.270 nan 0.000 0.457 229 V N 3.017 122.905 119.914 -0.044 0.000 2.406 229 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 229 V C -0.081 175.987 176.094 -0.044 0.000 1.043 229 V CA -0.351 61.917 62.300 -0.054 0.000 0.915 229 V CB 1.293 33.085 31.823 -0.051 0.000 0.988 229 V HN 0.043 nan 8.190 nan 0.000 0.466 230 K N 6.524 126.884 120.400 -0.067 0.000 2.334 230 K HA 0.534 4.854 4.320 -0.000 0.000 0.265 230 K C -0.686 175.878 176.600 -0.060 0.000 1.039 230 K CA -0.313 55.944 56.287 -0.050 0.000 0.920 230 K CB 1.806 34.264 32.500 -0.070 0.000 1.160 230 K HN 0.504 nan 8.250 nan 0.000 0.451 231 L N 1.646 122.847 121.223 -0.037 0.000 2.399 231 L HA 0.171 4.511 4.340 -0.000 0.000 0.266 231 L C 0.737 177.581 176.870 -0.044 0.000 1.114 231 L CA -0.186 54.628 54.840 -0.043 0.000 0.804 231 L CB 0.242 42.286 42.059 -0.026 0.000 1.146 231 L HN 0.693 nan 8.230 nan 0.000 0.451 232 E N 0.525 120.685 120.200 -0.067 0.000 2.476 232 E HA -0.233 4.117 4.350 -0.000 0.000 0.251 232 E C -0.449 176.111 176.600 -0.067 0.000 1.130 232 E CA 0.294 56.653 56.400 -0.068 0.000 0.736 232 E CB -0.884 28.799 29.700 -0.030 0.000 1.298 232 E HN 0.386 nan 8.360 nan 0.000 0.400 233 R N 0.211 120.654 120.500 -0.095 0.000 2.860 233 R HA 0.246 4.586 4.340 -0.000 0.000 0.282 233 R C -2.698 173.526 176.300 -0.128 0.000 1.408 233 R CA -1.960 54.092 56.100 -0.081 0.000 1.636 233 R CB 0.592 30.849 30.300 -0.072 0.000 1.187 233 R HN -0.009 nan 8.270 nan 0.000 0.611 234 P HA 0.006 nan 4.420 nan 0.000 0.271 234 P C -0.348 176.914 177.300 -0.064 0.000 1.226 234 P CA -0.148 62.850 63.100 -0.170 0.000 0.765 234 P CB 0.933 32.553 31.700 -0.133 0.000 0.835 235 V N 5.573 125.458 119.914 -0.047 0.000 2.555 235 V HA 0.067 4.187 4.120 -0.000 0.000 0.286 235 V C 1.679 177.787 176.094 0.024 0.000 1.044 235 V CA 0.402 62.694 62.300 -0.013 0.000 1.026 235 V CB 0.367 32.172 31.823 -0.030 0.000 0.981 235 V HN 0.535 nan 8.190 nan 0.000 0.480 236 I N 1.911 122.507 120.570 0.044 0.000 4.323 236 I HA 0.449 4.619 4.170 -0.000 0.000 0.328 236 I C -0.005 176.202 176.117 0.149 0.000 1.310 236 I CA 0.123 61.478 61.300 0.092 0.000 1.186 236 I CB 0.602 38.635 38.000 0.054 0.000 1.130 236 I HN 0.499 nan 8.210 nan 0.000 0.411 237 Y N 1.779 122.024 120.300 -0.092 0.000 2.436 237 Y HA 0.672 5.222 4.550 -0.000 0.000 0.327 237 Y C -1.923 173.895 175.900 -0.137 0.000 1.138 237 Y CA -1.544 56.484 58.100 -0.121 0.000 1.042 237 Y CB 1.568 39.988 38.460 -0.066 0.000 1.302 237 Y HN -0.011 nan 8.280 nan 0.000 0.439 238 I N 5.845 126.000 120.570 -0.691 0.000 2.447 238 I HA 0.312 4.482 4.170 -0.000 0.000 0.287 238 I C -1.350 174.383 176.117 -0.640 0.000 1.023 238 I CA -0.677 60.303 61.300 -0.533 0.000 1.083 238 I CB 1.824 39.659 38.000 -0.275 0.000 1.245 238 I HN 0.520 nan 8.210 nan 0.000 0.434 239 D N 6.066 126.156 120.400 -0.518 0.000 2.425 239 D HA 0.278 4.918 4.640 -0.000 0.000 0.240 239 D C -0.286 175.941 176.300 -0.122 0.000 1.080 239 D CA -0.218 53.573 54.000 -0.349 0.000 0.836 239 D CB 1.601 42.225 40.800 -0.293 0.000 1.125 239 D HN 0.509 nan 8.370 nan 0.000 0.525 240 Q N 1.740 121.509 119.800 -0.052 0.000 2.175 240 Q HA 0.081 4.421 4.340 -0.000 0.000 0.225 240 Q C 1.158 177.155 176.000 -0.005 0.000 0.837 240 Q CA -0.004 55.787 55.803 -0.019 0.000 1.032 240 Q CB 0.807 29.548 28.738 0.005 0.000 1.137 240 Q HN 0.552 nan 8.270 nan 0.000 0.483 241 T N -2.546 112.010 114.554 0.003 0.000 3.088 241 T HA 0.118 4.468 4.350 -0.000 0.000 0.259 241 T C 0.917 175.623 174.700 0.010 0.000 1.122 241 T CA 0.207 62.317 62.100 0.017 0.000 1.095 241 T CB 0.285 69.174 68.868 0.035 0.000 0.930 241 T HN 0.069 nan 8.240 nan 0.000 0.508 242 R N 0.139 120.640 120.500 0.002 0.000 2.944 242 R HA 0.487 4.827 4.340 -0.000 0.000 0.233 242 R C 1.333 177.623 176.300 -0.016 0.000 1.346 242 R CA -0.826 55.272 56.100 -0.002 0.000 1.082 242 R CB 0.828 31.130 30.300 0.003 0.000 1.434 242 R HN 0.053 nan 8.270 nan 0.000 0.510 243 E N 0.605 120.794 120.200 -0.018 0.000 2.077 243 E HA -0.121 4.229 4.350 -0.000 0.000 0.193 243 E C -0.275 176.293 176.600 -0.053 0.000 0.989 243 E CA 1.123 57.505 56.400 -0.031 0.000 0.800 243 E CB 0.206 29.891 29.700 -0.024 0.000 0.746 243 E HN 0.276 nan 8.360 nan 0.000 0.452 244 N N 0.080 118.754 118.700 -0.045 0.000 2.405 244 N HA 0.171 4.911 4.740 -0.000 0.000 0.299 244 N C -0.907 174.575 175.510 -0.046 0.000 1.075 244 N CA -0.375 52.640 53.050 -0.058 0.000 0.884 244 N CB 2.093 40.557 38.487 -0.038 0.000 1.194 244 N HN -0.182 nan 8.380 nan 0.000 0.491 245 V N 2.160 122.039 119.914 -0.057 0.000 2.637 245 V HA 0.159 4.279 4.120 -0.000 0.000 0.296 245 V C 0.481 176.564 176.094 -0.018 0.000 1.046 245 V CA -0.210 62.066 62.300 -0.040 0.000 1.066 245 V CB 0.186 31.988 31.823 -0.035 0.000 0.968 245 V HN 0.369 nan 8.190 nan 0.000 0.483 246 L N 5.497 126.702 121.223 -0.029 0.000 2.296 246 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 246 L C -0.631 176.223 176.870 -0.026 0.000 1.023 246 L CA -0.562 54.277 54.840 -0.003 0.000 0.812 246 L CB 1.820 43.889 42.059 0.017 0.000 1.223 246 L HN 0.369 nan 8.230 nan 0.000 0.421 247 V N 2.801 122.745 119.914 0.050 0.000 2.378 247 V HA 0.346 4.466 4.120 -0.000 0.000 0.288 247 V C -0.204 175.981 176.094 0.151 0.000 1.016 247 V CA -0.622 61.711 62.300 0.056 0.000 0.840 247 V CB 1.720 33.577 31.823 0.056 0.000 0.994 247 V HN 0.726 nan 8.190 nan 0.000 0.431 248 E N 2.965 123.251 120.200 0.144 0.000 2.191 248 E HA 0.637 4.987 4.350 -0.000 0.000 0.274 248 E C -0.239 176.433 176.600 0.120 0.000 0.948 248 E CA -0.469 56.035 56.400 0.173 0.000 0.802 248 E CB 1.780 31.613 29.700 0.223 0.000 1.137 248 E HN 0.835 nan 8.360 nan 0.000 0.397 249 T N 1.030 115.647 114.554 0.106 0.000 2.952 249 T HA 0.198 4.548 4.350 -0.000 0.000 0.286 249 T C 0.939 175.605 174.700 -0.056 0.000 1.024 249 T CA -0.850 61.273 62.100 0.038 0.000 1.029 249 T CB 1.161 70.072 68.868 0.072 0.000 1.094 249 T HN 0.437 nan 8.240 nan 0.000 0.515 250 L N 1.405 122.574 121.223 -0.091 0.000 2.083 250 L HA -0.006 4.334 4.340 -0.000 0.000 0.209 250 L C 1.967 178.595 176.870 -0.403 0.000 1.083 250 L CA 1.814 56.543 54.840 -0.184 0.000 0.752 250 L CB -0.969 41.039 42.059 -0.085 0.000 0.899 250 L HN 0.897 nan 8.230 nan 0.000 0.433 251 N N -0.927 117.631 118.700 -0.236 0.000 2.413 251 N HA -0.143 4.597 4.740 -0.000 0.000 0.207 251 N C -0.448 175.022 175.510 -0.068 0.000 1.206 251 N CA 0.431 53.380 53.050 -0.168 0.000 0.832 251 N CB -0.950 37.534 38.487 -0.006 0.000 1.037 251 N HN 0.626 nan 8.380 nan 0.000 0.467 252 H N -1.533 117.554 119.070 0.027 0.000 2.880 252 H HA -0.120 4.436 4.556 -0.000 0.000 0.304 252 H C -0.905 174.428 175.328 0.008 0.000 1.259 252 H CA 0.874 56.929 56.048 0.012 0.000 1.153 252 H CB -2.114 27.646 29.762 -0.003 0.000 1.395 252 H HN 0.529 nan 8.280 nan 0.000 0.420 253 E N 0.061 120.312 120.200 0.086 0.000 2.244 253 E HA 0.584 4.934 4.350 -0.000 0.000 0.266 253 E C -0.292 176.313 176.600 0.008 0.000 0.914 253 E CA -1.327 55.086 56.400 0.022 0.000 0.794 253 E CB 1.886 31.624 29.700 0.063 0.000 1.210 253 E HN 0.094 nan 8.360 nan 0.000 0.414 254 M N 2.353 121.860 119.600 -0.155 0.000 2.311 254 M HA 0.379 4.859 4.480 -0.000 0.000 0.325 254 M C -2.056 174.047 176.300 -0.329 0.000 1.061 254 M CA -0.433 54.810 55.300 -0.095 0.000 0.957 254 M CB 0.949 33.525 32.600 -0.041 0.000 1.646 254 M HN 0.410 nan 8.290 nan 0.000 0.434 255 Y N 1.679 121.988 120.300 0.015 0.000 2.409 255 Y HA 0.590 5.140 4.550 -0.000 0.000 0.343 255 Y C -0.424 175.478 175.900 0.002 0.000 0.973 255 Y CA -0.669 57.435 58.100 0.007 0.000 1.064 255 Y CB 1.771 40.233 38.460 0.004 0.000 1.207 255 Y HN 0.591 nan 8.280 nan 0.000 0.452 256 E N 1.835 122.106 120.200 0.119 0.000 2.210 256 E HA 0.838 5.188 4.350 -0.000 0.000 0.266 256 E C -1.474 175.163 176.600 0.062 0.000 0.883 256 E CA -0.684 55.753 56.400 0.061 0.000 0.761 256 E CB 1.298 31.010 29.700 0.020 0.000 1.156 256 E HN 0.773 nan 8.360 nan 0.000 0.412 257 A N 3.530 126.369 122.820 0.033 0.000 2.594 257 A HA 0.366 4.686 4.320 -0.000 0.000 0.291 257 A C -0.103 177.452 177.584 -0.047 0.000 1.105 257 A CA -0.646 51.404 52.037 0.021 0.000 0.694 257 A CB 1.489 20.521 19.000 0.053 0.000 1.291 257 A HN 0.678 nan 8.150 nan 0.000 0.410 258 K N -0.823 119.530 120.400 -0.079 0.000 2.116 258 K HA 0.116 4.436 4.320 -0.000 0.000 0.203 258 K C -0.685 175.566 176.600 -0.581 0.000 1.052 258 K CA 1.451 57.552 56.287 -0.311 0.000 0.952 258 K CB -0.049 32.296 32.500 -0.259 0.000 0.729 258 K HN 0.601 nan 8.250 nan 0.000 0.446 259 Y N -1.240 119.084 120.300 0.040 0.000 2.615 259 Y HA 0.399 4.949 4.550 -0.000 0.000 0.341 259 Y C -0.667 175.261 175.900 0.047 0.000 1.089 259 Y CA -1.313 56.828 58.100 0.069 0.000 1.049 259 Y CB 1.848 40.349 38.460 0.069 0.000 1.296 259 Y HN -0.426 nan 8.280 nan 0.000 0.470 260 V N 3.065 123.121 119.914 0.237 0.000 2.735 260 V HA 0.482 4.602 4.120 -0.000 0.000 0.310 260 V C -0.668 175.475 176.094 0.081 0.000 1.061 260 V CA -0.858 61.506 62.300 0.106 0.000 0.913 260 V CB 2.136 33.986 31.823 0.044 0.000 1.005 260 V HN 0.543 nan 8.190 nan 0.000 0.428 261 I N 2.789 123.377 120.570 0.031 0.000 2.339 261 I HA 0.339 4.509 4.170 -0.000 0.000 0.290 261 I C 0.271 176.376 176.117 -0.020 0.000 0.994 261 I CA -0.158 61.140 61.300 -0.003 0.000 1.191 261 I CB 1.896 39.902 38.000 0.010 0.000 1.343 261 I HN 0.597 nan 8.210 nan 0.000 0.458 262 S N 5.445 121.102 115.700 -0.072 0.000 2.399 262 S HA 0.514 4.984 4.470 -0.000 0.000 0.301 262 S C 0.407 175.090 174.600 0.138 0.000 1.093 262 S CA -0.471 57.761 58.200 0.054 0.000 1.077 262 S CB 0.486 63.761 63.200 0.125 0.000 0.980 262 S HN 0.710 nan 8.310 nan 0.000 0.494 263 A N 6.010 128.899 122.820 0.114 0.000 2.965 263 A HA 0.479 4.799 4.320 -0.000 0.000 0.304 263 A C 0.271 177.932 177.584 0.129 0.000 1.214 263 A CA -0.691 51.419 52.037 0.121 0.000 0.977 263 A CB -0.562 18.485 19.000 0.078 0.000 1.127 263 A HN 0.907 nan 8.150 nan 0.000 0.572 264 I N -4.006 116.660 120.570 0.159 0.000 2.846 264 I HA 0.678 4.848 4.170 -0.000 0.000 0.307 264 I C -2.935 173.277 176.117 0.159 0.000 1.053 264 I CA -3.128 58.262 61.300 0.151 0.000 1.050 264 I CB 1.616 39.706 38.000 0.150 0.000 1.239 264 I HN -0.154 nan 8.210 nan 0.000 0.439 265 P HA 0.105 nan 4.420 nan 0.000 0.263 265 P C -2.159 175.193 177.300 0.087 0.000 1.175 265 P CA -0.564 62.602 63.100 0.111 0.000 0.761 265 P CB -0.043 31.709 31.700 0.087 0.000 0.794 266 P HA -0.231 nan 4.420 nan 0.000 0.216 266 P C 1.609 178.891 177.300 -0.031 0.000 1.157 266 P CA 1.890 64.992 63.100 0.004 0.000 0.880 266 P CB -0.266 31.404 31.700 -0.050 0.000 0.791 267 T N -1.412 113.099 114.554 -0.072 0.000 2.915 267 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 267 T C 1.524 176.212 174.700 -0.019 0.000 1.071 267 T CA 0.720 62.767 62.100 -0.088 0.000 1.132 267 T CB -0.812 67.969 68.868 -0.145 0.000 0.878 267 T HN -0.036 nan 8.240 nan 0.000 0.479 268 L N 0.392 121.633 121.223 0.031 0.000 2.465 268 L HA 0.132 4.472 4.340 -0.000 0.000 0.224 268 L C 2.804 179.746 176.870 0.120 0.000 1.145 268 L CA 0.681 55.567 54.840 0.077 0.000 0.834 268 L CB -0.708 41.422 42.059 0.117 0.000 0.944 268 L HN 0.350 nan 8.230 nan 0.000 0.451 269 G N -0.093 108.789 108.800 0.137 0.000 2.479 269 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 269 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 269 G C 1.601 176.642 174.900 0.236 0.000 1.115 269 G CA 0.291 45.533 45.100 0.237 0.000 0.757 269 G HN 0.151 nan 8.290 nan 0.000 0.560 270 M N 0.431 120.095 119.600 0.106 0.000 2.279 270 M HA -0.003 4.477 4.480 -0.000 0.000 0.264 270 M C 2.110 178.423 176.300 0.021 0.000 1.062 270 M CA 1.003 56.333 55.300 0.051 0.000 1.099 270 M CB -0.529 32.063 32.600 -0.014 0.000 1.394 270 M HN 0.241 nan 8.290 nan 0.000 0.426 271 K N 0.052 120.485 120.400 0.055 0.000 2.555 271 K HA 0.132 4.452 4.320 -0.000 0.000 0.193 271 K C 0.368 177.008 176.600 0.066 0.000 1.032 271 K CA 0.452 56.777 56.287 0.063 0.000 1.004 271 K CB 0.106 32.677 32.500 0.118 0.000 0.804 271 K HN 0.327 nan 8.250 nan 0.000 0.496 272 I N 1.312 121.886 120.570 0.007 0.000 2.404 272 I HA 0.123 4.293 4.170 -0.000 0.000 0.293 272 I C 0.109 176.064 176.117 -0.269 0.000 0.992 272 I CA -0.739 60.472 61.300 -0.148 0.000 1.149 272 I CB 1.316 39.085 38.000 -0.385 0.000 1.315 272 I HN 0.041 nan 8.210 nan 0.000 0.446 273 H N 6.194 125.159 119.070 -0.174 0.000 2.620 273 H HA 0.323 4.879 4.556 -0.000 0.000 0.313 273 H C -1.062 174.178 175.328 -0.146 0.000 1.075 273 H CA -0.140 55.907 56.048 -0.001 0.000 1.397 273 H CB 1.048 30.896 29.762 0.143 0.000 1.446 273 H HN 0.324 nan 8.280 nan 0.000 0.493 274 F N 2.012 122.070 119.950 0.179 0.000 2.443 274 F HA 0.160 4.687 4.527 -0.000 0.000 0.335 274 F C 0.639 176.489 175.800 0.083 0.000 1.104 274 F CA -0.705 57.333 58.000 0.063 0.000 1.013 274 F CB 1.290 40.311 39.000 0.035 0.000 1.136 274 F HN 0.474 nan 8.300 nan 0.000 0.470 275 N N 4.450 123.239 118.700 0.148 0.000 2.461 275 N HA 0.416 5.156 4.740 -0.000 0.000 0.284 275 N C -3.023 172.534 175.510 0.078 0.000 1.049 275 N CA -2.349 50.781 53.050 0.133 0.000 0.889 275 N CB 2.107 40.701 38.487 0.177 0.000 1.365 275 N HN 0.072 nan 8.380 nan 0.000 0.499 276 P HA 0.302 nan 4.420 nan 0.000 0.273 276 P C -2.635 174.741 177.300 0.127 0.000 1.250 276 P CA -0.951 62.207 63.100 0.097 0.000 0.793 276 P CB -0.339 31.398 31.700 0.061 0.000 1.011 277 P HA 0.088 nan 4.420 nan 0.000 0.269 277 P C 0.086 177.402 177.300 0.026 0.000 1.217 277 P CA 0.207 63.371 63.100 0.106 0.000 0.783 277 P CB 0.181 31.924 31.700 0.072 0.000 0.898 278 L N 2.909 124.096 121.223 -0.059 0.000 2.482 278 L HA 0.146 4.486 4.340 -0.000 0.000 0.273 278 L C -1.663 175.153 176.870 -0.091 0.000 1.228 278 L CA -1.577 53.159 54.840 -0.173 0.000 0.827 278 L CB -0.731 41.132 42.059 -0.326 0.000 1.099 278 L HN 0.302 nan 8.230 nan 0.000 0.494 279 P HA -0.054 nan 4.420 nan 0.000 0.268 279 P C 0.652 177.919 177.300 -0.054 0.000 1.208 279 P CA -0.205 62.862 63.100 -0.056 0.000 0.777 279 P CB 0.450 32.116 31.700 -0.056 0.000 0.875 280 M N 1.800 121.382 119.600 -0.031 0.000 2.089 280 M HA -0.233 4.247 4.480 -0.000 0.000 0.257 280 M C 1.203 177.508 176.300 0.008 0.000 1.071 280 M CA 2.333 57.625 55.300 -0.013 0.000 1.096 280 M CB -0.382 32.214 32.600 -0.007 0.000 1.330 280 M HN 0.171 nan 8.290 nan 0.000 0.403 281 M N -0.304 119.297 119.600 0.002 0.000 2.099 281 M HA -0.151 4.329 4.480 -0.000 0.000 0.262 281 M C 2.320 178.660 176.300 0.066 0.000 1.067 281 M CA 1.799 57.139 55.300 0.065 0.000 1.124 281 M CB -1.472 31.112 32.600 -0.026 0.000 1.353 281 M HN 0.439 nan 8.290 nan 0.000 0.410 282 R N 0.327 120.795 120.500 -0.053 0.000 2.092 282 R HA -0.164 4.176 4.340 -0.000 0.000 0.231 282 R C 2.013 178.225 176.300 -0.147 0.000 1.119 282 R CA 1.671 57.690 56.100 -0.135 0.000 0.970 282 R CB -0.210 29.958 30.300 -0.219 0.000 0.864 282 R HN 0.329 nan 8.270 nan 0.000 0.440 283 N N 0.516 119.147 118.700 -0.116 0.000 2.061 283 N HA -0.231 4.509 4.740 -0.000 0.000 0.193 283 N C 1.589 177.032 175.510 -0.111 0.000 1.030 283 N CA 1.985 54.973 53.050 -0.103 0.000 0.856 283 N CB -0.001 38.449 38.487 -0.061 0.000 1.023 283 N HN 0.354 nan 8.380 nan 0.000 0.424 284 Q N -1.073 118.669 119.800 -0.097 0.000 2.163 284 Q HA -0.051 4.289 4.340 -0.000 0.000 0.198 284 Q C 1.994 177.743 176.000 -0.419 0.000 0.954 284 Q CA 0.631 56.322 55.803 -0.188 0.000 0.851 284 Q CB -0.131 28.563 28.738 -0.074 0.000 0.928 284 Q HN 0.492 nan 8.270 nan 0.000 0.459 285 M N 1.704 121.057 119.600 -0.411 0.000 2.106 285 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 285 M C 2.017 178.086 176.300 -0.385 0.000 1.068 285 M CA 1.694 56.697 55.300 -0.494 0.000 1.100 285 M CB -0.494 31.991 32.600 -0.192 0.000 1.351 285 M HN 0.312 nan 8.290 nan 0.000 0.404 286 I N -1.550 118.857 120.570 -0.272 0.000 3.334 286 I HA -0.071 4.099 4.170 -0.000 0.000 0.282 286 I C 1.433 177.420 176.117 -0.217 0.000 1.313 286 I CA 1.369 62.536 61.300 -0.220 0.000 1.396 286 I CB -0.978 36.937 38.000 -0.143 0.000 1.054 286 I HN 0.320 nan 8.210 nan 0.000 0.495 287 T N -2.527 111.876 114.554 -0.251 0.000 3.069 287 T HA 0.289 4.639 4.350 -0.000 0.000 0.252 287 T C 1.458 175.988 174.700 -0.283 0.000 1.053 287 T CA -0.225 61.739 62.100 -0.227 0.000 0.964 287 T CB -0.034 68.723 68.868 -0.184 0.000 1.005 287 T HN 0.420 nan 8.240 nan 0.000 0.532 288 R N 0.947 121.219 120.500 -0.379 0.000 2.508 288 R HA 0.324 4.664 4.340 -0.000 0.000 0.300 288 R C -0.119 175.864 176.300 -0.528 0.000 0.970 288 R CA -0.006 55.842 56.100 -0.420 0.000 1.102 288 R CB 1.365 31.362 30.300 -0.505 0.000 1.246 288 R HN 0.427 nan 8.270 nan 0.000 0.539 289 V N -0.742 118.839 119.914 -0.556 0.000 2.383 289 V HA 0.466 4.585 4.120 -0.000 0.000 0.261 289 V C -2.683 173.044 176.094 -0.613 0.000 0.987 289 V CA -2.344 59.508 62.300 -0.746 0.000 0.853 289 V CB 0.678 32.014 31.823 -0.811 0.000 1.095 289 V HN -0.110 nan 8.190 nan 0.000 0.461 290 P HA 0.483 nan 4.420 nan 0.000 0.276 290 P C -0.612 176.358 177.300 -0.551 0.000 1.252 290 P CA -0.305 62.457 63.100 -0.564 0.000 0.802 290 P CB 1.803 33.155 31.700 -0.581 0.000 1.035 291 L N 0.301 121.382 121.223 -0.236 0.000 2.352 291 L HA 0.580 4.920 4.340 -0.000 0.000 0.269 291 L C 1.494 178.417 176.870 0.088 0.000 1.034 291 L CA -0.153 54.648 54.840 -0.065 0.000 0.806 291 L CB 0.383 42.438 42.059 -0.006 0.000 1.244 291 L HN 0.472 nan 8.230 nan 0.000 0.447 292 G N -0.218 108.664 108.800 0.136 0.000 2.611 292 G HA2 0.433 4.393 3.960 -0.000 0.000 0.273 292 G HA3 0.433 4.393 3.960 -0.000 0.000 0.273 292 G C -0.809 174.094 174.900 0.006 0.000 1.305 292 G CA -0.356 44.791 45.100 0.078 0.000 1.010 292 G HN 0.494 nan 8.290 nan 0.000 0.509 293 S N -1.420 114.252 115.700 -0.046 0.000 2.561 293 S HA 0.594 5.064 4.470 -0.000 0.000 0.303 293 S C -1.056 173.523 174.600 -0.036 0.000 1.110 293 S CA -0.507 57.691 58.200 -0.004 0.000 1.034 293 S CB 1.711 64.922 63.200 0.018 0.000 1.010 293 S HN 0.825 nan 8.310 nan 0.000 0.482 294 V N 4.763 124.705 119.914 0.047 0.000 3.000 294 V HA 0.565 4.685 4.120 -0.000 0.000 0.300 294 V C -1.953 174.292 176.094 0.252 0.000 1.251 294 V CA -0.739 61.617 62.300 0.094 0.000 0.972 294 V CB 1.771 33.573 31.823 -0.035 0.000 1.065 294 V HN 0.882 nan 8.190 nan 0.000 0.431 295 I N 5.326 126.058 120.570 0.270 0.000 2.362 295 I HA 0.518 4.688 4.170 -0.000 0.000 0.289 295 I C -0.207 176.156 176.117 0.409 0.000 0.994 295 I CA -0.603 60.878 61.300 0.302 0.000 1.158 295 I CB 1.689 39.808 38.000 0.199 0.000 1.315 295 I HN 0.519 nan 8.210 nan 0.000 0.451 296 K N 5.997 126.675 120.400 0.463 0.000 2.234 296 K HA 0.576 4.896 4.320 -0.000 0.000 0.277 296 K C -1.434 175.294 176.600 0.214 0.000 1.038 296 K CA -0.307 56.234 56.287 0.423 0.000 0.888 296 K CB 0.919 33.738 32.500 0.531 0.000 1.091 296 K HN 0.700 nan 8.250 nan 0.000 0.467 297 C N 5.322 124.705 119.300 0.139 0.000 2.441 297 C HA 0.572 5.032 4.460 -0.000 0.000 0.318 297 C C -0.844 174.198 174.990 0.087 0.000 1.222 297 C CA -1.077 58.015 59.018 0.123 0.000 1.474 297 C CB 0.075 27.994 27.740 0.299 0.000 2.125 297 C HN 0.738 nan 8.230 nan 0.000 0.479 298 I N 3.074 123.657 120.570 0.022 0.000 2.439 298 I HA 0.404 4.574 4.170 -0.000 0.000 0.283 298 I C -0.272 175.865 176.117 0.033 0.000 1.023 298 I CA -0.106 61.164 61.300 -0.050 0.000 1.100 298 I CB 1.403 39.325 38.000 -0.130 0.000 1.238 298 I HN 0.355 nan 8.210 nan 0.000 0.445 299 V N 6.704 126.637 119.914 0.033 0.000 2.394 299 V HA 0.381 4.500 4.120 -0.000 0.000 0.282 299 V C -0.603 175.322 176.094 -0.282 0.000 1.031 299 V CA -0.667 61.660 62.300 0.045 0.000 0.881 299 V CB 0.843 32.732 31.823 0.111 0.000 0.982 299 V HN 0.406 nan 8.190 nan 0.000 0.451 300 Y N 4.052 124.293 120.300 -0.099 0.000 2.361 300 Y HA 0.672 5.222 4.550 -0.000 0.000 0.332 300 Y C -0.265 175.494 175.900 -0.234 0.000 1.101 300 Y CA -0.402 57.690 58.100 -0.014 0.000 1.137 300 Y CB 1.440 39.993 38.460 0.155 0.000 1.207 300 Y HN 0.531 nan 8.280 nan 0.000 0.463 301 Y N -0.072 120.478 120.300 0.417 0.000 2.605 301 Y HA 0.282 4.831 4.550 -0.000 0.000 0.343 301 Y C 1.117 177.161 175.900 0.240 0.000 1.036 301 Y CA -1.378 56.936 58.100 0.357 0.000 1.065 301 Y CB 1.925 40.690 38.460 0.508 0.000 1.288 301 Y HN 0.499 nan 8.280 nan 0.000 0.481 302 K N 0.439 121.054 120.400 0.358 0.000 2.057 302 K HA -0.080 4.240 4.320 -0.000 0.000 0.207 302 K C -0.551 176.120 176.600 0.119 0.000 1.049 302 K CA 1.708 58.101 56.287 0.177 0.000 0.931 302 K CB 0.185 32.761 32.500 0.126 0.000 0.714 302 K HN 0.733 nan 8.250 nan 0.000 0.440 303 E N -0.748 119.538 120.200 0.143 0.000 2.393 303 E HA 0.210 4.560 4.350 -0.000 0.000 0.273 303 E C -2.650 173.817 176.600 -0.221 0.000 0.918 303 E CA -2.315 54.075 56.400 -0.017 0.000 0.773 303 E CB 2.185 31.864 29.700 -0.035 0.000 1.275 303 E HN -0.031 nan 8.360 nan 0.000 0.451 304 P HA 0.024 nan 4.420 nan 0.000 0.230 304 P C 0.266 176.639 177.300 -1.545 0.000 1.791 304 P CA -0.008 62.172 63.100 -1.534 0.000 1.020 304 P CB -0.937 30.161 31.700 -1.002 0.000 1.977 305 F N -0.074 119.329 119.950 -0.912 0.000 2.250 305 F HA -0.132 4.395 4.527 -0.000 0.000 0.301 305 F C 1.725 177.359 175.800 -0.277 0.000 1.077 305 F CA 0.046 57.793 58.000 -0.422 0.000 1.348 305 F CB -1.750 37.128 39.000 -0.203 0.000 1.040 305 F HN 0.125 nan 8.300 nan 0.000 0.509 306 W N 1.331 122.306 121.300 -0.543 0.000 2.374 306 W HA 0.031 4.691 4.660 0.000 0.000 0.288 306 W C 2.050 178.513 176.519 -0.092 0.000 1.218 306 W CA 0.867 58.083 57.345 -0.215 0.000 1.245 306 W CB -1.141 28.128 29.460 -0.319 0.000 1.126 306 W HN -0.139 nan 8.180 nan 0.000 0.545 307 R N 1.264 121.549 120.500 -0.357 0.000 2.127 307 R HA -0.101 4.239 4.340 -0.000 0.000 0.238 307 R C 2.011 178.226 176.300 -0.141 0.000 1.134 307 R CA 1.788 57.776 56.100 -0.187 0.000 0.975 307 R CB -0.462 29.670 30.300 -0.280 0.000 0.865 307 R HN 0.300 nan 8.270 nan 0.000 0.447 308 K N 0.684 120.997 120.400 -0.146 0.000 2.280 308 K HA -0.105 4.215 4.320 -0.000 0.000 0.202 308 K C 1.307 177.837 176.600 -0.117 0.000 1.047 308 K CA 1.008 57.234 56.287 -0.101 0.000 0.942 308 K CB 0.080 32.542 32.500 -0.063 0.000 0.739 308 K HN 0.141 nan 8.250 nan 0.000 0.457 309 K N 0.816 121.117 120.400 -0.165 0.000 2.410 309 K HA -0.016 4.304 4.320 -0.000 0.000 0.200 309 K C -0.501 175.767 176.600 -0.553 0.000 1.023 309 K CA 0.069 56.145 56.287 -0.352 0.000 1.149 309 K CB 0.363 32.612 32.500 -0.420 0.000 0.859 309 K HN 0.005 nan 8.250 nan 0.000 0.514 310 D N 0.411 120.636 120.400 -0.291 0.000 2.800 310 D HA -0.214 4.426 4.640 -0.000 0.000 0.232 310 D C -1.362 174.870 176.300 -0.113 0.000 1.137 310 D CA 0.918 54.809 54.000 -0.181 0.000 0.718 310 D CB -1.434 39.282 40.800 -0.140 0.000 1.084 310 D HN 0.348 nan 8.370 nan 0.000 0.432 311 Y N -0.921 119.414 120.300 0.059 0.000 2.377 311 Y HA 0.323 4.873 4.550 -0.000 0.000 0.339 311 Y C 2.036 178.008 175.900 0.119 0.000 1.011 311 Y CA -0.942 57.193 58.100 0.059 0.000 1.093 311 Y CB 1.282 39.787 38.460 0.074 0.000 1.201 311 Y HN 0.248 nan 8.280 nan 0.000 0.455 312 C N -1.074 118.341 119.300 0.191 0.000 2.514 312 C HA 0.454 4.914 4.460 -0.000 0.000 0.271 312 C C 1.715 176.756 174.990 0.085 0.000 1.399 312 C CA 0.535 59.636 59.018 0.139 0.000 1.765 312 C CB -0.891 26.852 27.740 0.004 0.000 1.893 312 C HN 1.227 nan 8.230 nan 0.000 0.531 313 G N -0.206 108.483 108.800 -0.185 0.000 2.211 313 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.201 313 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.201 313 G C 0.032 174.580 174.900 -0.587 0.000 0.997 313 G CA 0.177 44.840 45.100 -0.728 0.000 0.652 313 G HN 0.560 nan 8.290 nan 0.000 0.500 314 T N 2.275 116.585 114.554 -0.406 0.000 2.814 314 T HA 0.617 4.967 4.350 -0.000 0.000 0.297 314 T C 0.303 174.789 174.700 -0.357 0.000 0.956 314 T CA 0.610 62.448 62.100 -0.437 0.000 1.123 314 T CB 0.819 69.475 68.868 -0.353 0.000 0.902 314 T HN 0.286 nan 8.240 nan 0.000 0.528 315 M N 4.114 123.488 119.600 -0.376 0.000 2.263 315 M HA 0.481 4.961 4.480 -0.000 0.000 0.295 315 M C -0.912 175.396 176.300 0.013 0.000 1.028 315 M CA -0.533 54.675 55.300 -0.153 0.000 0.921 315 M CB 2.155 34.638 32.600 -0.196 0.000 1.601 315 M HN 0.412 nan 8.290 nan 0.000 0.440 316 I N 4.887 125.630 120.570 0.289 0.000 2.354 316 I HA 0.446 4.616 4.170 -0.000 0.000 0.286 316 I C -0.835 175.595 176.117 0.522 0.000 1.007 316 I CA -0.357 61.243 61.300 0.500 0.000 1.167 316 I CB 0.953 39.313 38.000 0.601 0.000 1.320 316 I HN 0.618 nan 8.210 nan 0.000 0.458 317 I N 5.506 126.331 120.570 0.424 0.000 2.390 317 I HA 0.275 4.445 4.170 -0.000 0.000 0.283 317 I C -0.616 175.701 176.117 0.334 0.000 1.016 317 I CA -0.659 60.857 61.300 0.360 0.000 1.151 317 I CB 1.084 39.229 38.000 0.242 0.000 1.293 317 I HN 0.423 nan 8.210 nan 0.000 0.458 318 D N 4.647 125.242 120.400 0.325 0.000 2.344 318 D HA 0.622 5.262 4.640 -0.000 0.000 0.244 318 D C 0.482 176.903 176.300 0.202 0.000 1.134 318 D CA 0.585 54.736 54.000 0.253 0.000 0.930 318 D CB 1.273 42.197 40.800 0.205 0.000 1.175 318 D HN 0.832 nan 8.370 nan 0.000 0.437 319 G N 0.673 109.570 108.800 0.163 0.000 2.617 319 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.686 319 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.686 319 G C 0.440 175.420 174.900 0.133 0.000 1.214 319 G CA -0.179 45.001 45.100 0.134 0.000 0.796 319 G HN 0.382 nan 8.290 nan 0.000 0.654 320 E N 0.242 120.514 120.200 0.119 0.000 2.150 320 E HA -0.030 4.320 4.350 -0.000 0.000 0.193 320 E C 2.161 178.828 176.600 0.112 0.000 0.985 320 E CA 2.419 58.900 56.400 0.135 0.000 0.814 320 E CB -0.006 29.767 29.700 0.123 0.000 0.752 320 E HN 0.630 nan 8.360 nan 0.000 0.466 321 E N 0.514 120.770 120.200 0.094 0.000 2.152 321 E HA 0.078 4.428 4.350 -0.000 0.000 0.192 321 E C 0.404 177.042 176.600 0.063 0.000 0.983 321 E CA 0.897 57.341 56.400 0.073 0.000 0.818 321 E CB -0.386 29.355 29.700 0.068 0.000 0.758 321 E HN 0.292 nan 8.360 nan 0.000 0.467 322 A N 2.595 125.464 122.820 0.081 0.000 2.491 322 A HA 0.161 4.481 4.320 -0.000 0.000 0.261 322 A C -1.386 176.233 177.584 0.058 0.000 1.101 322 A CA -1.096 50.983 52.037 0.070 0.000 0.772 322 A CB 0.142 19.207 19.000 0.108 0.000 1.043 322 A HN -0.005 nan 8.150 nan 0.000 0.501 323 P HA -0.049 nan 4.420 nan 0.000 0.217 323 P C 0.244 177.584 177.300 0.067 0.000 1.150 323 P CA 0.999 64.112 63.100 0.023 0.000 0.832 323 P CB 0.086 31.781 31.700 -0.009 0.000 0.787 324 V N 0.182 120.157 119.914 0.101 0.000 2.448 324 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 324 V C 1.160 177.385 176.094 0.218 0.000 1.025 324 V CA -0.124 62.286 62.300 0.184 0.000 0.859 324 V CB 1.305 33.266 31.823 0.230 0.000 0.988 324 V HN -0.019 nan 8.190 nan 0.000 0.431 325 A N 4.499 127.479 122.820 0.267 0.000 2.220 325 A HA 0.316 4.636 4.320 -0.000 0.000 0.211 325 A C 0.161 177.996 177.584 0.417 0.000 1.176 325 A CA 0.563 52.785 52.037 0.307 0.000 0.834 325 A CB 0.169 19.340 19.000 0.284 0.000 0.868 325 A HN 0.760 nan 8.150 nan 0.000 0.488 326 Y N -0.149 120.295 120.300 0.240 0.000 2.482 326 Y HA 0.469 5.019 4.550 -0.000 0.000 0.334 326 Y C -0.438 175.518 175.900 0.093 0.000 1.091 326 Y CA -0.401 57.821 58.100 0.204 0.000 1.027 326 Y CB 1.539 40.176 38.460 0.295 0.000 1.306 326 Y HN 0.126 nan 8.280 nan 0.000 0.446 327 T N 3.973 118.191 114.554 -0.560 0.000 2.906 327 T HA 0.872 5.222 4.350 -0.000 0.000 0.295 327 T C -1.554 172.685 174.700 -0.768 0.000 1.075 327 T CA -0.828 60.936 62.100 -0.560 0.000 1.005 327 T CB 1.859 70.396 68.868 -0.551 0.000 1.136 327 T HN 0.616 nan 8.240 nan 0.000 0.498 328 L N 0.948 121.848 121.223 -0.540 0.000 2.393 328 L HA 0.504 4.844 4.340 -0.000 0.000 0.260 328 L C -0.725 175.932 176.870 -0.356 0.000 1.002 328 L CA -1.266 53.313 54.840 -0.435 0.000 0.818 328 L CB 2.233 44.107 42.059 -0.308 0.000 1.369 328 L HN 0.737 nan 8.230 nan 0.000 0.412 329 D N 0.924 121.152 120.400 -0.288 0.000 2.434 329 D HA -0.038 4.602 4.640 -0.000 0.000 0.252 329 D C -0.196 176.105 176.300 0.002 0.000 1.185 329 D CA 0.561 54.473 54.000 -0.146 0.000 0.886 329 D CB 1.153 41.992 40.800 0.065 0.000 1.148 329 D HN 0.499 nan 8.370 nan 0.000 0.483 330 D N 1.956 122.366 120.400 0.015 0.000 2.424 330 D HA 0.066 4.706 4.640 -0.000 0.000 0.220 330 D C -0.305 176.076 176.300 0.135 0.000 1.150 330 D CA -0.135 53.907 54.000 0.069 0.000 0.831 330 D CB 0.354 41.136 40.800 -0.031 0.000 0.981 330 D HN 0.236 nan 8.370 nan 0.000 0.500 331 T N 1.558 116.231 114.554 0.199 0.000 2.940 331 T HA 0.018 4.368 4.350 -0.000 0.000 0.309 331 T C 0.543 175.324 174.700 0.135 0.000 1.056 331 T CA -0.118 62.098 62.100 0.194 0.000 1.137 331 T CB 0.808 69.795 68.868 0.199 0.000 0.976 331 T HN -0.062 nan 8.240 nan 0.000 0.547 332 K N 3.888 124.329 120.400 0.070 0.000 2.380 332 K HA 0.076 4.396 4.320 -0.000 0.000 0.267 332 K C -1.390 175.102 176.600 -0.180 0.000 0.990 332 K CA -1.850 54.380 56.287 -0.095 0.000 0.946 332 K CB 0.203 32.683 32.500 -0.034 0.000 0.937 332 K HN 0.333 nan 8.250 nan 0.000 0.491 333 P HA -0.144 nan 4.420 nan 0.000 0.218 333 P C 0.398 177.623 177.300 -0.125 0.000 1.148 333 P CA 1.393 64.286 63.100 -0.345 0.000 0.822 333 P CB 0.330 31.722 31.700 -0.514 0.000 0.784 334 E N -0.957 119.189 120.200 -0.090 0.000 2.338 334 E HA 0.086 4.436 4.350 -0.000 0.000 0.197 334 E C 1.623 178.210 176.600 -0.021 0.000 1.007 334 E CA 1.194 57.576 56.400 -0.030 0.000 0.849 334 E CB -0.832 28.871 29.700 0.005 0.000 0.774 334 E HN 0.346 nan 8.360 nan 0.000 0.506 335 G N 0.431 109.221 108.800 -0.017 0.000 2.179 335 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.220 335 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.220 335 G C 0.069 174.959 174.900 -0.017 0.000 0.990 335 G CA 0.166 45.253 45.100 -0.022 0.000 0.646 335 G HN 0.354 nan 8.290 nan 0.000 0.517 336 N N -0.634 118.075 118.700 0.013 0.000 2.530 336 N HA 0.538 5.278 4.740 -0.000 0.000 0.283 336 N C 0.528 176.110 175.510 0.121 0.000 1.238 336 N CA -0.883 52.147 53.050 -0.032 0.000 0.971 336 N CB -0.011 38.377 38.487 -0.165 0.000 1.195 336 N HN 0.591 nan 8.380 nan 0.000 0.583 337 Y N -2.713 117.616 120.300 0.048 0.000 3.108 337 Y HA -0.177 4.373 4.550 -0.000 0.000 0.208 337 Y C 0.614 176.648 175.900 0.223 0.000 1.245 337 Y CA 0.315 58.497 58.100 0.136 0.000 1.171 337 Y CB -2.346 36.156 38.460 0.070 0.000 1.331 337 Y HN 0.752 nan 8.280 nan 0.000 0.534 338 A N 0.317 123.294 122.820 0.261 0.000 2.565 338 A HA 0.550 4.870 4.320 -0.000 0.000 0.237 338 A C 0.745 178.573 177.584 0.406 0.000 1.053 338 A CA 0.638 52.842 52.037 0.279 0.000 0.755 338 A CB 0.105 19.192 19.000 0.145 0.000 0.980 338 A HN 1.510 nan 8.150 nan 0.000 0.506 339 A N 2.348 125.415 122.820 0.411 0.000 2.605 339 A HA 0.621 4.941 4.320 -0.000 0.000 0.294 339 A C -1.033 176.556 177.584 0.007 0.000 1.062 339 A CA -0.534 51.556 52.037 0.088 0.000 0.682 339 A CB 0.955 19.676 19.000 -0.464 0.000 1.278 339 A HN 0.716 nan 8.150 nan 0.000 0.410 340 I N 2.530 122.996 120.570 -0.173 0.000 2.389 340 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 340 I C -0.187 175.771 176.117 -0.264 0.000 0.999 340 I CA -0.398 60.662 61.300 -0.401 0.000 1.129 340 I CB 1.645 39.258 38.000 -0.645 0.000 1.288 340 I HN 0.758 nan 8.210 nan 0.000 0.444 341 M N 5.846 125.283 119.600 -0.271 0.000 2.188 341 M HA 0.582 5.062 4.480 -0.000 0.000 0.357 341 M C -0.308 175.835 176.300 -0.263 0.000 1.204 341 M CA -0.129 55.041 55.300 -0.216 0.000 1.095 341 M CB 1.008 33.503 32.600 -0.176 0.000 1.604 341 M HN 0.698 nan 8.290 nan 0.000 0.464 342 G N 4.548 113.254 108.800 -0.158 0.000 2.563 342 G HA2 0.695 4.655 3.960 -0.000 0.000 0.302 342 G HA3 0.695 4.655 3.960 -0.000 0.000 0.302 342 G C -1.938 172.911 174.900 -0.085 0.000 1.301 342 G CA -0.546 44.507 45.100 -0.078 0.000 0.965 342 G HN 0.664 nan 8.290 nan 0.000 0.480 343 F N 0.563 120.658 119.950 0.243 0.000 2.436 343 F HA 0.487 5.014 4.527 -0.000 0.000 0.340 343 F C 0.483 176.396 175.800 0.188 0.000 1.113 343 F CA -0.754 57.389 58.000 0.238 0.000 1.022 343 F CB 2.247 41.416 39.000 0.281 0.000 1.128 343 F HN 0.060 nan 8.300 nan 0.000 0.466 344 I N 5.332 126.117 120.570 0.359 0.000 2.297 344 I HA 0.261 4.431 4.170 -0.000 0.000 0.291 344 I C -0.670 175.538 176.117 0.153 0.000 1.033 344 I CA -0.276 61.147 61.300 0.204 0.000 1.253 344 I CB 0.734 38.822 38.000 0.147 0.000 1.396 344 I HN 0.385 nan 8.210 nan 0.000 0.476 345 L N 6.455 127.731 121.223 0.088 0.000 2.322 345 L HA 0.699 5.039 4.340 -0.000 0.000 0.279 345 L C 0.988 177.826 176.870 -0.052 0.000 1.036 345 L CA -0.166 54.684 54.840 0.016 0.000 0.807 345 L CB 1.521 43.601 42.059 0.034 0.000 1.226 345 L HN 0.904 nan 8.230 nan 0.000 0.433 346 A N 2.120 124.901 122.820 -0.065 0.000 5.391 346 A HA -0.369 3.951 4.320 -0.000 0.000 0.315 346 A C 1.704 179.281 177.584 -0.011 0.000 1.874 346 A CA 1.527 53.535 52.037 -0.050 0.000 0.714 346 A CB -1.592 17.378 19.000 -0.050 0.000 1.335 346 A HN 1.088 nan 8.150 nan 0.000 0.382 347 H N 1.009 120.072 119.070 -0.011 0.000 2.457 347 H HA -0.066 4.490 4.556 -0.000 0.000 0.297 347 H C 1.672 177.020 175.328 0.033 0.000 1.092 347 H CA 1.915 57.974 56.048 0.018 0.000 1.309 347 H CB -0.379 29.403 29.762 0.034 0.000 1.382 347 H HN 0.737 nan 8.280 nan 0.000 0.535 348 K N 0.723 120.780 120.400 -0.571 0.000 2.148 348 K HA 0.051 4.371 4.320 -0.000 0.000 0.204 348 K C 2.603 179.145 176.600 -0.096 0.000 1.050 348 K CA 0.913 56.996 56.287 -0.340 0.000 0.942 348 K CB 0.013 32.331 32.500 -0.304 0.000 0.724 348 K HN 0.336 nan 8.250 nan 0.000 0.446 349 A N 1.492 124.284 122.820 -0.047 0.000 1.902 349 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 349 A C 2.079 179.680 177.584 0.027 0.000 1.181 349 A CA 1.420 53.470 52.037 0.021 0.000 0.623 349 A CB -0.289 18.736 19.000 0.043 0.000 0.818 349 A HN 0.123 nan 8.150 nan 0.000 0.443 350 R N -0.342 120.174 120.500 0.027 0.000 2.066 350 R HA -0.042 4.298 4.340 -0.000 0.000 0.232 350 R C 2.318 178.643 176.300 0.040 0.000 1.131 350 R CA 1.746 57.871 56.100 0.043 0.000 0.955 350 R CB -0.316 30.023 30.300 0.064 0.000 0.851 350 R HN 0.625 nan 8.270 nan 0.000 0.432 351 K N 0.495 120.918 120.400 0.040 0.000 2.026 351 K HA -0.094 4.226 4.320 -0.000 0.000 0.208 351 K C 1.473 178.090 176.600 0.028 0.000 1.048 351 K CA 1.364 57.677 56.287 0.044 0.000 0.929 351 K CB -0.007 32.526 32.500 0.056 0.000 0.713 351 K HN 0.145 nan 8.250 nan 0.000 0.439 352 L N 0.145 121.379 121.223 0.019 0.000 2.558 352 L HA 0.135 4.475 4.340 -0.000 0.000 0.225 352 L C 2.179 179.067 176.870 0.031 0.000 1.128 352 L CA 0.166 55.020 54.840 0.022 0.000 0.868 352 L CB -0.012 42.058 42.059 0.019 0.000 1.006 352 L HN 0.212 nan 8.230 nan 0.000 0.454 353 A N 0.584 123.423 122.820 0.032 0.000 2.019 353 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 353 A C 2.367 179.967 177.584 0.026 0.000 1.164 353 A CA 1.160 53.217 52.037 0.033 0.000 0.644 353 A CB -0.335 18.683 19.000 0.031 0.000 0.805 353 A HN 0.333 nan 8.150 nan 0.000 0.449 354 R N -0.606 119.908 120.500 0.023 0.000 2.152 354 R HA 0.034 4.374 4.340 -0.000 0.000 0.232 354 R C 0.273 176.583 176.300 0.017 0.000 1.117 354 R CA 0.326 56.437 56.100 0.019 0.000 0.981 354 R CB -0.494 29.817 30.300 0.018 0.000 0.870 354 R HN 0.458 nan 8.270 nan 0.000 0.451 355 L N 0.753 121.987 121.223 0.020 0.000 2.476 355 L HA 0.048 4.388 4.340 -0.000 0.000 0.264 355 L C 1.071 177.954 176.870 0.023 0.000 1.224 355 L CA -0.251 54.599 54.840 0.017 0.000 0.821 355 L CB 0.219 42.286 42.059 0.014 0.000 1.101 355 L HN 0.183 nan 8.230 nan 0.000 0.488 356 T N -2.506 112.060 114.554 0.019 0.000 2.849 356 T HA 0.109 4.459 4.350 -0.000 0.000 0.284 356 T C 0.892 175.619 174.700 0.045 0.000 1.004 356 T CA -0.663 61.453 62.100 0.027 0.000 1.021 356 T CB 1.269 70.148 68.868 0.018 0.000 1.013 356 T HN 0.681 nan 8.240 nan 0.000 0.527 357 K N 0.340 120.783 120.400 0.071 0.000 2.063 357 K HA -0.204 4.116 4.320 -0.000 0.000 0.208 357 K C 1.919 178.576 176.600 0.094 0.000 1.048 357 K CA 1.899 58.273 56.287 0.146 0.000 0.928 357 K CB -0.204 32.388 32.500 0.154 0.000 0.713 357 K HN 0.695 nan 8.250 nan 0.000 0.442 358 E N 0.727 120.947 120.200 0.034 0.000 2.106 358 E HA -0.151 4.199 4.350 -0.000 0.000 0.192 358 E C 1.804 178.363 176.600 -0.068 0.000 0.984 358 E CA 1.382 57.766 56.400 -0.027 0.000 0.806 358 E CB 0.023 29.718 29.700 -0.008 0.000 0.750 358 E HN 0.405 nan 8.360 nan 0.000 0.458 359 E N 0.220 120.398 120.200 -0.037 0.000 2.072 359 E HA -0.117 4.233 4.350 -0.000 0.000 0.191 359 E C 2.132 178.688 176.600 -0.073 0.000 0.985 359 E CA 0.727 57.099 56.400 -0.045 0.000 0.801 359 E CB -0.010 29.678 29.700 -0.019 0.000 0.750 359 E HN 0.118 nan 8.360 nan 0.000 0.452 360 R N 0.289 120.753 120.500 -0.059 0.000 2.081 360 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 360 R C 2.477 178.629 176.300 -0.247 0.000 1.131 360 R CA 0.863 56.916 56.100 -0.078 0.000 0.960 360 R CB -0.372 29.954 30.300 0.042 0.000 0.856 360 R HN 0.128 nan 8.270 nan 0.000 0.436 361 L N 1.798 122.755 121.223 -0.442 0.000 2.012 361 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 361 L C 2.209 178.857 176.870 -0.371 0.000 1.073 361 L CA 1.924 56.335 54.840 -0.715 0.000 0.748 361 L CB -0.484 41.111 42.059 -0.774 0.000 0.891 361 L HN 0.011 nan 8.230 nan 0.000 0.431 362 K N -0.508 119.754 120.400 -0.231 0.000 2.026 362 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 362 K C 2.181 178.692 176.600 -0.148 0.000 1.048 362 K CA 1.784 57.983 56.287 -0.147 0.000 0.929 362 K CB -0.113 32.330 32.500 -0.094 0.000 0.713 362 K HN 0.340 nan 8.250 nan 0.000 0.439 363 K N 0.176 120.486 120.400 -0.149 0.000 2.057 363 K HA -0.152 4.168 4.320 -0.000 0.000 0.207 363 K C 2.116 178.581 176.600 -0.224 0.000 1.049 363 K CA 1.235 57.438 56.287 -0.140 0.000 0.931 363 K CB -0.116 32.323 32.500 -0.101 0.000 0.714 363 K HN 0.056 nan 8.250 nan 0.000 0.440 364 L N 0.778 121.810 121.223 -0.319 0.000 2.027 364 L HA -0.200 4.140 4.340 -0.000 0.000 0.206 364 L C 2.465 178.897 176.870 -0.730 0.000 1.074 364 L CA 1.512 55.993 54.840 -0.599 0.000 0.745 364 L CB -0.686 41.050 42.059 -0.540 0.000 0.898 364 L HN 0.234 nan 8.230 nan 0.000 0.433 365 C N -0.664 118.426 119.300 -0.350 0.000 2.413 365 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 365 C C 2.659 177.619 174.990 -0.049 0.000 1.248 365 C CA 0.655 59.621 59.018 -0.086 0.000 1.742 365 C CB -0.789 26.956 27.740 0.009 0.000 2.017 365 C HN 0.549 nan 8.230 nan 0.000 0.481 366 E N 0.237 120.380 120.200 -0.095 0.000 2.072 366 E HA -0.212 4.138 4.350 -0.000 0.000 0.191 366 E C 2.001 178.567 176.600 -0.056 0.000 0.985 366 E CA 0.945 57.313 56.400 -0.052 0.000 0.801 366 E CB -0.276 29.393 29.700 -0.052 0.000 0.750 366 E HN 0.510 nan 8.360 nan 0.000 0.452 367 L N 0.443 121.586 121.223 -0.132 0.000 1.994 367 L HA -0.216 4.123 4.340 -0.000 0.000 0.208 367 L C 2.020 178.900 176.870 0.016 0.000 1.071 367 L CA 1.769 56.545 54.840 -0.107 0.000 0.745 367 L CB -0.627 41.328 42.059 -0.173 0.000 0.892 367 L HN 0.213 nan 8.230 nan 0.000 0.431 368 Y N -0.790 119.497 120.300 -0.021 0.000 2.224 368 Y HA -0.233 4.317 4.550 -0.000 0.000 0.289 368 Y C 2.527 178.441 175.900 0.023 0.000 1.146 368 Y CA 0.269 58.362 58.100 -0.011 0.000 1.182 368 Y CB -0.533 37.960 38.460 0.055 0.000 0.983 368 Y HN 0.390 nan 8.280 nan 0.000 0.524 369 A N 0.644 123.576 122.820 0.186 0.000 1.908 369 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 369 A C 2.143 179.776 177.584 0.082 0.000 1.181 369 A CA 1.822 53.930 52.037 0.118 0.000 0.627 369 A CB -0.540 18.500 19.000 0.066 0.000 0.818 369 A HN 0.358 nan 8.150 nan 0.000 0.445 370 K N -0.661 119.764 120.400 0.043 0.000 2.002 370 K HA -0.091 4.228 4.320 -0.000 0.000 0.209 370 K C 1.942 178.540 176.600 -0.004 0.000 1.048 370 K CA 1.661 57.959 56.287 0.018 0.000 0.930 370 K CB -0.346 32.138 32.500 -0.026 0.000 0.714 370 K HN 0.308 nan 8.250 nan 0.000 0.438 371 V N 1.498 121.355 119.914 -0.096 0.000 2.453 371 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 371 V C 2.029 178.078 176.094 -0.074 0.000 1.048 371 V CA 1.420 63.621 62.300 -0.164 0.000 1.049 371 V CB -0.275 31.403 31.823 -0.242 0.000 0.672 371 V HN 0.278 nan 8.190 nan 0.000 0.457 372 L N 0.446 121.663 121.223 -0.010 0.000 2.554 372 L HA 0.279 4.619 4.340 -0.000 0.000 0.226 372 L C 1.631 178.641 176.870 0.233 0.000 1.137 372 L CA 0.730 55.608 54.840 0.065 0.000 0.863 372 L CB -0.714 41.469 42.059 0.207 0.000 0.985 372 L HN 0.531 nan 8.230 nan 0.000 0.451 373 G N 0.846 109.740 108.800 0.156 0.000 2.338 373 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.296 373 G C -0.077 174.915 174.900 0.153 0.000 1.040 373 G CA 0.484 45.675 45.100 0.151 0.000 1.004 373 G HN 0.341 nan 8.290 nan 0.000 0.509 374 S N -0.840 114.941 115.700 0.135 0.000 2.677 374 S HA 0.446 4.916 4.470 -0.000 0.000 0.283 374 S C 1.120 175.689 174.600 -0.051 0.000 1.159 374 S CA -0.778 57.460 58.200 0.062 0.000 1.001 374 S CB 1.714 65.016 63.200 0.170 0.000 1.032 374 S HN 0.245 nan 8.310 nan 0.000 0.487 375 L N 1.960 123.130 121.223 -0.089 0.000 2.362 375 L HA -0.076 4.264 4.340 -0.000 0.000 0.219 375 L C 2.138 178.886 176.870 -0.203 0.000 1.134 375 L CA 1.129 55.909 54.840 -0.100 0.000 0.807 375 L CB -0.344 41.674 42.059 -0.069 0.000 0.927 375 L HN 0.716 nan 8.230 nan 0.000 0.447 376 E N 0.531 120.469 120.200 -0.438 0.000 2.265 376 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 376 E C 2.246 178.421 176.600 -0.708 0.000 0.996 376 E CA 0.955 56.923 56.400 -0.720 0.000 0.832 376 E CB -0.111 28.815 29.700 -1.289 0.000 0.756 376 E HN 0.519 nan 8.360 nan 0.000 0.491 377 A N 1.008 123.516 122.820 -0.520 0.000 2.121 377 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 377 A C 1.972 179.724 177.584 0.281 0.000 1.154 377 A CA 0.739 52.785 52.037 0.014 0.000 0.679 377 A CB -0.342 18.816 19.000 0.263 0.000 0.795 377 A HN 0.158 nan 8.150 nan 0.000 0.458 378 L N -0.371 120.918 121.223 0.110 0.000 2.591 378 L HA 0.079 4.419 4.340 -0.000 0.000 0.228 378 L C 0.173 177.125 176.870 0.135 0.000 1.133 378 L CA 0.142 55.048 54.840 0.110 0.000 0.880 378 L CB 0.005 42.085 42.059 0.036 0.000 1.033 378 L HN 0.206 nan 8.230 nan 0.000 0.450 379 E N 1.040 121.372 120.200 0.220 0.000 3.588 379 E HA 0.269 4.619 4.350 -0.000 0.000 0.213 379 E C -2.298 174.481 176.600 0.298 0.000 1.168 379 E CA -1.667 54.850 56.400 0.195 0.000 1.254 379 E CB 0.379 30.149 29.700 0.117 0.000 1.302 379 E HN 0.128 nan 8.360 nan 0.000 0.429 380 P HA 0.021 nan 4.420 nan 0.000 0.272 380 P C 1.101 178.439 177.300 0.064 0.000 1.223 380 P CA -0.136 62.944 63.100 -0.034 0.000 0.784 380 P CB 1.493 33.119 31.700 -0.123 0.000 0.923 381 V N -1.852 118.117 119.914 0.091 0.000 3.565 381 V HA 0.303 4.423 4.120 -0.000 0.000 0.260 381 V C 0.500 176.724 176.094 0.216 0.000 1.231 381 V CA 0.815 63.203 62.300 0.146 0.000 1.100 381 V CB -1.175 30.737 31.823 0.150 0.000 0.807 381 V HN 0.665 nan 8.190 nan 0.000 0.454 382 H N -1.179 117.961 119.070 0.116 0.000 3.003 382 H HA 0.629 5.185 4.556 -0.000 0.000 0.327 382 H C -2.293 173.243 175.328 0.346 0.000 1.353 382 H CA -0.752 55.380 56.048 0.140 0.000 1.142 382 H CB 1.993 31.728 29.762 -0.045 0.000 1.864 382 H HN 0.145 nan 8.280 nan 0.000 0.529 383 Y N 1.581 121.611 120.300 -0.450 0.000 2.441 383 Y HA 0.492 5.042 4.550 -0.000 0.000 0.334 383 Y C -1.687 174.081 175.900 -0.220 0.000 1.061 383 Y CA -0.650 57.362 58.100 -0.147 0.000 1.032 383 Y CB 1.700 40.092 38.460 -0.114 0.000 1.266 383 Y HN 0.619 nan 8.280 nan 0.000 0.441 384 E N 4.531 124.476 120.200 -0.425 0.000 2.317 384 E HA 0.423 4.773 4.350 -0.000 0.000 0.270 384 E C -1.436 174.804 176.600 -0.600 0.000 0.885 384 E CA -0.790 55.374 56.400 -0.392 0.000 0.760 384 E CB 2.774 32.481 29.700 0.012 0.000 1.227 384 E HN 0.780 nan 8.360 nan 0.000 0.434 385 E N 0.426 120.376 120.200 -0.417 0.000 2.412 385 E HA 0.681 5.031 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 -1.092 55.165 56.400 -0.239 0.000 0.788 385 E CB 2.541 32.077 29.700 -0.273 0.000 1.277 385 E HN 0.175 nan 8.360 nan 0.000 0.455 386 K N 1.299 121.708 120.400 0.015 0.000 2.581 386 K HA 0.282 4.602 4.320 -0.000 0.000 0.249 386 K C -1.627 174.948 176.600 -0.042 0.000 0.966 386 K CA -0.678 55.559 56.287 -0.083 0.000 0.811 386 K CB 1.523 33.938 32.500 -0.142 0.000 1.223 386 K HN 0.502 nan 8.250 nan 0.000 0.438 387 N N 4.357 122.991 118.700 -0.110 0.000 2.437 387 N HA 0.104 4.844 4.740 -0.000 0.000 0.243 387 N C -0.305 175.149 175.510 -0.094 0.000 1.041 387 N CA -0.355 52.689 53.050 -0.011 0.000 0.940 387 N CB 0.327 38.816 38.487 0.004 0.000 1.133 387 N HN 0.683 nan 8.380 nan 0.000 0.506 388 W N 2.175 123.515 121.300 0.066 0.000 2.699 388 W HA 0.046 4.706 4.660 -0.000 0.000 0.249 388 W C 1.983 178.519 176.519 0.028 0.000 1.280 388 W CA -0.087 57.291 57.345 0.055 0.000 1.345 388 W CB -0.179 29.328 29.460 0.079 0.000 1.128 388 W HN 0.587 nan 8.180 nan 0.000 0.642 389 C N 0.438 119.843 119.300 0.175 0.000 2.432 389 C HA -0.162 4.298 4.460 -0.000 0.000 0.282 389 C C 2.341 177.358 174.990 0.044 0.000 1.388 389 C CA 1.420 60.498 59.018 0.100 0.000 1.777 389 C CB -1.461 26.322 27.740 0.071 0.000 1.882 389 C HN 0.498 nan 8.230 nan 0.000 0.520 390 E N 0.814 121.018 120.200 0.006 0.000 2.489 390 E HA -0.003 4.347 4.350 -0.000 0.000 0.193 390 E C -0.064 176.506 176.600 -0.051 0.000 1.057 390 E CA 0.369 56.748 56.400 -0.035 0.000 0.866 390 E CB -0.182 29.482 29.700 -0.060 0.000 0.916 390 E HN 0.504 nan 8.360 nan 0.000 0.500 391 E N 2.189 122.377 120.200 -0.020 0.000 2.129 391 E HA -0.017 4.333 4.350 -0.000 0.000 0.283 391 E C 0.477 177.058 176.600 -0.032 0.000 1.080 391 E CA 0.012 56.404 56.400 -0.013 0.000 0.867 391 E CB 1.509 31.258 29.700 0.081 0.000 1.056 391 E HN 0.351 nan 8.360 nan 0.000 0.404 392 Q N 2.975 122.691 119.800 -0.140 0.000 2.135 392 Q HA -0.197 4.143 4.340 -0.000 0.000 0.204 392 Q C 0.407 176.175 176.000 -0.386 0.000 0.981 392 Q CA 1.653 57.256 55.803 -0.334 0.000 0.856 392 Q CB 0.084 28.477 28.738 -0.574 0.000 0.902 392 Q HN 0.607 nan 8.270 nan 0.000 0.425 393 Y N -0.999 119.327 120.300 0.044 0.000 2.493 393 Y HA 0.238 4.788 4.550 -0.000 0.000 0.275 393 Y C 1.581 177.538 175.900 0.095 0.000 1.183 393 Y CA -0.276 57.859 58.100 0.058 0.000 1.258 393 Y CB 0.882 39.369 38.460 0.045 0.000 1.108 393 Y HN 0.079 nan 8.280 nan 0.000 0.521 394 S N -1.579 114.246 115.700 0.208 0.000 2.891 394 S HA 0.286 4.756 4.470 -0.000 0.000 0.247 394 S C 1.850 176.531 174.600 0.134 0.000 1.063 394 S CA 0.601 58.929 58.200 0.214 0.000 0.857 394 S CB 0.514 63.925 63.200 0.351 0.000 0.800 394 S HN 0.530 nan 8.310 nan 0.000 0.540 395 G N 0.970 109.831 108.800 0.101 0.000 2.217 395 G HA2 0.081 4.041 3.960 -0.000 0.000 0.246 395 G HA3 0.081 4.041 3.960 -0.000 0.000 0.246 395 G C 0.486 175.428 174.900 0.070 0.000 0.990 395 G CA 0.068 45.196 45.100 0.048 0.000 0.627 395 G HN 1.361 nan 8.290 nan 0.000 0.522 396 G N -2.314 106.569 108.800 0.137 0.000 2.352 396 G HA2 0.515 4.475 3.960 -0.000 0.000 0.283 396 G HA3 0.515 4.475 3.960 -0.000 0.000 0.283 396 G C -1.019 173.964 174.900 0.138 0.000 1.308 396 G CA 0.329 45.520 45.100 0.151 0.000 0.892 396 G HN 1.459 nan 8.290 nan 0.000 0.504 397 C N -1.533 117.797 119.300 0.051 0.000 3.285 397 C HA 0.605 5.065 4.460 -0.000 0.000 0.325 397 C C 0.739 175.577 174.990 -0.255 0.000 1.304 397 C CA -0.633 58.337 59.018 -0.080 0.000 1.319 397 C CB 0.836 28.428 27.740 -0.247 0.000 1.640 397 C HN 0.720 nan 8.230 nan 0.000 0.477 398 Y N 0.614 120.844 120.300 -0.117 0.000 2.337 398 Y HA 0.235 4.785 4.550 -0.000 0.000 0.293 398 Y C 1.564 177.427 175.900 -0.061 0.000 1.123 398 Y CA 1.047 59.048 58.100 -0.164 0.000 1.201 398 Y CB -0.341 37.999 38.460 -0.200 0.000 1.011 398 Y HN 0.679 nan 8.280 nan 0.000 0.545 399 T N -1.866 112.773 114.554 0.141 0.000 2.711 399 T HA 0.327 4.677 4.350 -0.000 0.000 0.302 399 T C -0.835 173.969 174.700 0.172 0.000 1.373 399 T CA -0.722 61.500 62.100 0.203 0.000 1.000 399 T CB 1.015 70.095 68.868 0.353 0.000 1.483 399 T HN -0.155 nan 8.240 nan 0.000 0.499 400 T N 2.751 117.417 114.554 0.186 0.000 2.851 400 T HA 0.459 4.809 4.350 -0.000 0.000 0.298 400 T C -0.752 173.956 174.700 0.013 0.000 0.977 400 T CA 0.091 62.201 62.100 0.017 0.000 1.126 400 T CB -0.405 68.460 68.868 -0.006 0.000 0.916 400 T HN 0.468 nan 8.240 nan 0.000 0.529 401 Y N 0.910 120.988 120.300 -0.371 0.000 2.528 401 Y HA 0.786 5.336 4.550 -0.000 0.000 0.335 401 Y C -1.250 174.075 175.900 -0.958 0.000 1.093 401 Y CA -2.273 55.246 58.100 -0.969 0.000 1.134 401 Y CB 0.778 38.822 38.460 -0.694 0.000 1.253 401 Y HN 0.408 nan 8.280 nan 0.000 0.478 402 F N 3.363 122.559 119.950 -1.257 0.000 2.402 402 F HA 0.561 5.088 4.527 -0.000 0.000 0.355 402 F C -2.295 173.414 175.800 -0.152 0.000 1.123 402 F CA -2.688 54.948 58.000 -0.606 0.000 1.021 402 F CB 1.464 40.157 39.000 -0.512 0.000 1.160 402 F HN 0.364 nan 8.300 nan 0.000 0.451 403 P HA 0.112 nan 4.420 nan 0.000 0.273 403 P C -2.553 174.852 177.300 0.176 0.000 1.250 403 P CA -1.180 62.010 63.100 0.149 0.000 0.793 403 P CB -0.174 31.565 31.700 0.066 0.000 1.011 404 P HA -0.032 nan 4.420 nan 0.000 0.265 404 P C 0.909 178.304 177.300 0.158 0.000 1.193 404 P CA 1.237 64.442 63.100 0.175 0.000 0.765 404 P CB -0.070 31.715 31.700 0.141 0.000 0.823 405 G N 2.820 111.727 108.800 0.178 0.000 2.217 405 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 405 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 405 G C 0.827 175.847 174.900 0.200 0.000 0.990 405 G CA 0.108 45.304 45.100 0.160 0.000 0.627 405 G HN 0.433 nan 8.290 nan 0.000 0.522 406 I N 0.180 120.901 120.570 0.253 0.000 2.339 406 I HA 0.130 4.300 4.170 -0.000 0.000 0.245 406 I C 2.652 179.017 176.117 0.413 0.000 1.096 406 I CA 1.342 62.852 61.300 0.350 0.000 1.408 406 I CB -1.214 36.921 38.000 0.225 0.000 1.092 406 I HN 0.278 nan 8.210 nan 0.000 0.423 407 L N 1.154 122.594 121.223 0.361 0.000 2.042 407 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 407 L C 2.656 179.596 176.870 0.116 0.000 1.076 407 L CA 2.524 57.439 54.840 0.125 0.000 0.749 407 L CB -0.946 41.091 42.059 -0.038 0.000 0.893 407 L HN 0.433 nan 8.230 nan 0.000 0.432 408 T N -4.327 110.308 114.554 0.136 0.000 2.857 408 T HA -0.143 4.207 4.350 -0.000 0.000 0.266 408 T C 1.814 176.477 174.700 -0.062 0.000 1.048 408 T CA 0.911 63.064 62.100 0.089 0.000 1.139 408 T CB -0.328 68.598 68.868 0.097 0.000 0.874 408 T HN 0.341 nan 8.240 nan 0.000 0.455 409 Q N -0.059 119.701 119.800 -0.067 0.000 2.137 409 Q HA 0.105 4.445 4.340 -0.000 0.000 0.198 409 Q C 1.154 176.826 176.000 -0.547 0.000 0.960 409 Q CA 1.235 56.852 55.803 -0.309 0.000 0.847 409 Q CB -0.028 28.521 28.738 -0.316 0.000 0.915 409 Q HN 0.778 nan 8.270 nan 0.000 0.448 410 Y N -1.819 118.418 120.300 -0.105 0.000 2.448 410 Y HA 0.263 4.813 4.550 -0.000 0.000 0.257 410 Y C 2.027 177.813 175.900 -0.189 0.000 1.089 410 Y CA 0.093 58.117 58.100 -0.127 0.000 1.245 410 Y CB 0.175 38.606 38.460 -0.050 0.000 1.282 410 Y HN 0.084 nan 8.280 nan 0.000 0.529 411 G N 0.800 109.523 108.800 -0.128 0.000 2.442 411 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.219 411 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.219 411 G C 1.666 176.126 174.900 -0.732 0.000 1.141 411 G CA 0.878 45.807 45.100 -0.284 0.000 0.763 411 G HN 0.283 nan 8.290 nan 0.000 0.554 412 R N -0.213 119.555 120.500 -1.219 0.000 2.139 412 R HA -0.081 4.259 4.340 -0.000 0.000 0.243 412 R C 2.554 178.614 176.300 -0.399 0.000 1.145 412 R CA 1.487 56.948 56.100 -1.065 0.000 0.976 412 R CB -0.298 29.486 30.300 -0.859 0.000 0.866 412 R HN 0.503 nan 8.270 nan 0.000 0.449 413 V N -1.986 117.762 119.914 -0.277 0.000 3.649 413 V HA 0.037 4.157 4.120 -0.000 0.000 0.275 413 V C 1.746 177.746 176.094 -0.157 0.000 1.281 413 V CA 0.358 62.559 62.300 -0.166 0.000 1.143 413 V CB -0.129 31.607 31.823 -0.144 0.000 0.892 413 V HN 0.064 nan 8.190 nan 0.000 0.441 414 L N 2.496 123.662 121.223 -0.095 0.000 2.013 414 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 414 L C 2.552 179.378 176.870 -0.073 0.000 1.073 414 L CA 2.672 57.482 54.840 -0.050 0.000 0.753 414 L CB -0.409 41.718 42.059 0.115 0.000 0.890 414 L HN 0.664 nan 8.230 nan 0.000 0.432 415 R N -1.080 119.466 120.500 0.078 0.000 2.577 415 R HA 0.191 4.531 4.340 -0.000 0.000 0.344 415 R C 0.445 176.899 176.300 0.256 0.000 1.037 415 R CA -0.272 55.960 56.100 0.220 0.000 1.102 415 R CB -0.350 30.143 30.300 0.322 0.000 1.313 415 R HN 0.324 nan 8.270 nan 0.000 0.561 416 Q N 2.700 122.573 119.800 0.122 0.000 2.286 416 Q HA 0.205 4.545 4.340 -0.000 0.000 0.267 416 Q C -2.108 174.017 176.000 0.208 0.000 1.028 416 Q CA -2.079 53.798 55.803 0.123 0.000 0.901 416 Q CB 0.857 29.609 28.738 0.023 0.000 1.183 416 Q HN 0.027 nan 8.270 nan 0.000 0.392 417 P HA -0.053 nan 4.420 nan 0.000 0.266 417 P C -1.264 176.032 177.300 -0.007 0.000 1.195 417 P CA -0.030 63.015 63.100 -0.093 0.000 0.768 417 P CB 0.653 32.049 31.700 -0.506 0.000 0.838 418 V N 3.558 123.476 119.914 0.007 0.000 2.275 418 V HA 0.142 4.262 4.120 -0.000 0.000 0.272 418 V C 0.747 176.798 176.094 -0.072 0.000 1.028 418 V CA 0.129 62.433 62.300 0.005 0.000 0.810 418 V CB 0.060 31.928 31.823 0.076 0.000 1.043 418 V HN 0.775 nan 8.190 nan 0.000 0.453 419 D N 4.212 124.576 120.400 -0.061 0.000 4.372 419 D HA -0.309 4.331 4.640 -0.000 0.000 0.169 419 D C 1.336 177.610 176.300 -0.043 0.000 0.680 419 D CA 2.418 56.399 54.000 -0.031 0.000 1.152 419 D CB -0.259 40.538 40.800 -0.005 0.000 0.585 419 D HN 0.581 nan 8.370 nan 0.000 0.493 420 R N -0.120 120.382 120.500 0.003 0.000 2.468 420 R HA 0.451 4.791 4.340 -0.000 0.000 0.280 420 R C -0.220 176.157 176.300 0.129 0.000 0.963 420 R CA -0.159 56.038 56.100 0.163 0.000 1.083 420 R CB 0.422 30.779 30.300 0.095 0.000 1.200 420 R HN 0.290 nan 8.270 nan 0.000 0.541 421 I N 1.234 121.723 120.570 -0.135 0.000 2.315 421 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 421 I C -0.566 175.171 176.117 -0.633 0.000 1.006 421 I CA -0.674 60.469 61.300 -0.263 0.000 1.265 421 I CB 0.675 38.502 38.000 -0.288 0.000 1.387 421 I HN -0.072 nan 8.210 nan 0.000 0.475 422 Y N 5.314 125.374 120.300 -0.400 0.000 2.487 422 Y HA 0.539 5.089 4.550 -0.000 0.000 0.337 422 Y C -0.514 175.056 175.900 -0.549 0.000 1.076 422 Y CA -0.684 57.209 58.100 -0.345 0.000 1.115 422 Y CB 1.514 39.895 38.460 -0.133 0.000 1.235 422 Y HN 0.285 nan 8.280 nan 0.000 0.468 423 F N 1.268 121.329 119.950 0.184 0.000 2.427 423 F HA 0.707 5.234 4.527 -0.000 0.000 0.348 423 F C 0.395 176.274 175.800 0.133 0.000 1.125 423 F CA -0.571 57.511 58.000 0.136 0.000 0.989 423 F CB 1.108 40.172 39.000 0.107 0.000 1.165 423 F HN 0.602 nan 8.300 nan 0.000 0.442 424 A N 2.307 125.277 122.820 0.250 0.000 3.444 424 A HA 0.960 5.280 4.320 -0.000 0.000 0.189 424 A C 0.375 178.090 177.584 0.218 0.000 1.542 424 A CA -0.413 51.737 52.037 0.188 0.000 0.867 424 A CB -0.007 19.060 19.000 0.111 0.000 1.712 424 A HN 1.485 nan 8.150 nan 0.000 0.556 425 G N -2.510 106.397 108.800 0.178 0.000 2.777 425 G HA2 0.085 4.045 3.960 -0.000 0.000 0.686 425 G HA3 0.085 4.045 3.960 -0.000 0.000 0.686 425 G C 0.422 175.453 174.900 0.218 0.000 1.177 425 G CA 0.601 45.814 45.100 0.189 0.000 0.775 425 G HN 1.535 nan 8.290 nan 0.000 0.613 426 T N 0.115 114.799 114.554 0.218 0.000 2.881 426 T HA -0.084 4.266 4.350 -0.000 0.000 0.270 426 T C 2.097 176.999 174.700 0.337 0.000 1.068 426 T CA 2.610 64.866 62.100 0.259 0.000 1.131 426 T CB -0.164 68.852 68.868 0.248 0.000 0.871 426 T HN 0.606 nan 8.240 nan 0.000 0.479 427 E N 0.514 120.919 120.200 0.341 0.000 2.265 427 E HA -0.055 4.295 4.350 -0.000 0.000 0.196 427 E C 2.229 179.091 176.600 0.436 0.000 0.996 427 E CA 1.481 58.137 56.400 0.426 0.000 0.832 427 E CB -0.177 29.735 29.700 0.354 0.000 0.756 427 E HN 0.700 nan 8.360 nan 0.000 0.491 428 T N -2.569 112.203 114.554 0.364 0.000 3.107 428 T HA 0.441 4.791 4.350 -0.000 0.000 0.249 428 T C 0.835 175.779 174.700 0.406 0.000 1.096 428 T CA 0.025 62.343 62.100 0.363 0.000 1.012 428 T CB 0.177 69.235 68.868 0.316 0.000 0.977 428 T HN 0.093 nan 8.240 nan 0.000 0.527 429 A N 1.744 124.805 122.820 0.403 0.000 2.346 429 A HA 0.542 4.862 4.320 -0.000 0.000 0.252 429 A C 1.508 179.366 177.584 0.455 0.000 1.089 429 A CA 0.136 52.413 52.037 0.401 0.000 0.797 429 A CB 0.324 19.519 19.000 0.325 0.000 1.047 429 A HN 0.510 nan 8.150 nan 0.000 0.494 430 T N -2.673 112.126 114.554 0.409 0.000 3.003 430 T HA 0.242 4.592 4.350 -0.000 0.000 0.261 430 T C 0.237 175.049 174.700 0.185 0.000 1.003 430 T CA 0.622 62.918 62.100 0.327 0.000 0.917 430 T CB -0.357 68.643 68.868 0.221 0.000 1.084 430 T HN 0.753 nan 8.240 nan 0.000 0.522 431 H N -1.008 118.095 119.070 0.054 0.000 2.840 431 H HA 0.273 4.829 4.556 -0.000 0.000 0.340 431 H C -0.973 174.376 175.328 0.035 0.000 1.004 431 H CA -1.075 54.927 56.048 -0.077 0.000 1.288 431 H CB 0.961 30.738 29.762 0.025 0.000 1.607 431 H HN 0.305 nan 8.280 nan 0.000 0.522 432 W N 2.225 123.248 121.300 -0.462 0.000 5.538 432 W HA -0.248 4.412 4.660 0.000 0.000 0.377 432 W C 0.481 176.935 176.519 -0.108 0.000 1.406 432 W CA 0.949 57.993 57.345 -0.501 0.000 0.940 432 W CB -1.669 27.405 29.460 -0.642 0.000 2.536 432 W HN 0.393 nan 8.180 nan 0.000 1.504 433 S N 0.543 116.282 115.700 0.065 0.000 2.552 433 S HA 0.386 4.856 4.470 -0.000 0.000 0.289 433 S C 1.381 176.210 174.600 0.382 0.000 1.304 433 S CA 1.662 60.022 58.200 0.266 0.000 1.063 433 S CB 0.782 64.205 63.200 0.372 0.000 0.848 433 S HN 1.401 nan 8.310 nan 0.000 0.499 434 G N 3.104 112.194 108.800 0.483 0.000 2.213 434 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.226 434 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.226 434 G C -0.249 174.767 174.900 0.193 0.000 0.992 434 G CA 0.187 45.570 45.100 0.472 0.000 0.632 434 G HN 0.683 nan 8.290 nan 0.000 0.511 435 Y N -0.528 119.888 120.300 0.193 0.000 2.621 435 Y HA 0.716 5.266 4.550 -0.000 0.000 0.334 435 Y C 1.917 177.858 175.900 0.068 0.000 1.074 435 Y CA -0.818 57.343 58.100 0.102 0.000 1.149 435 Y CB 0.902 39.409 38.460 0.078 0.000 1.302 435 Y HN -0.032 nan 8.280 nan 0.000 0.501 436 M N -0.134 119.575 119.600 0.181 0.000 2.149 436 M HA -0.201 4.279 4.480 -0.000 0.000 0.261 436 M C 1.846 178.209 176.300 0.104 0.000 1.064 436 M CA 1.958 57.328 55.300 0.117 0.000 1.102 436 M CB -0.234 32.426 32.600 0.101 0.000 1.369 436 M HN 0.791 nan 8.290 nan 0.000 0.408 437 E N 0.779 121.016 120.200 0.062 0.000 2.049 437 E HA -0.167 4.183 4.350 -0.000 0.000 0.198 437 E C 1.953 178.619 176.600 0.110 0.000 1.007 437 E CA 2.162 58.567 56.400 0.007 0.000 0.809 437 E CB -0.727 28.845 29.700 -0.214 0.000 0.749 437 E HN 0.436 nan 8.360 nan 0.000 0.450 438 G N 0.047 108.962 108.800 0.192 0.000 2.422 438 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 438 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 438 G C 1.719 176.736 174.900 0.196 0.000 1.146 438 G CA 1.245 46.481 45.100 0.227 0.000 0.769 438 G HN 0.488 nan 8.290 nan 0.000 0.547 439 A N 0.270 123.193 122.820 0.171 0.000 1.883 439 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 439 A C 2.627 180.274 177.584 0.104 0.000 1.186 439 A CA 2.031 54.150 52.037 0.137 0.000 0.624 439 A CB -0.731 18.338 19.000 0.114 0.000 0.822 439 A HN 0.282 nan 8.150 nan 0.000 0.444 440 V N 0.134 120.101 119.914 0.089 0.000 2.295 440 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 440 V C 2.556 178.690 176.094 0.067 0.000 1.049 440 V CA 2.293 64.630 62.300 0.063 0.000 1.024 440 V CB -0.822 31.031 31.823 0.050 0.000 0.648 440 V HN 0.756 nan 8.190 nan 0.000 0.447 441 E N 0.425 120.685 120.200 0.101 0.000 2.058 441 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 441 E C 2.222 178.862 176.600 0.066 0.000 0.997 441 E CA 1.750 58.217 56.400 0.112 0.000 0.801 441 E CB -0.190 29.627 29.700 0.195 0.000 0.746 441 E HN 0.553 nan 8.360 nan 0.000 0.450 442 A N 0.654 123.536 122.820 0.102 0.000 1.930 442 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 442 A C 2.405 180.007 177.584 0.030 0.000 1.175 442 A CA 1.588 53.675 52.037 0.082 0.000 0.627 442 A CB -0.996 18.103 19.000 0.164 0.000 0.815 442 A HN 0.449 nan 8.150 nan 0.000 0.443 443 G N -0.245 108.580 108.800 0.041 0.000 2.421 443 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.216 443 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.216 443 G C 1.433 176.317 174.900 -0.027 0.000 1.171 443 G CA 0.997 46.108 45.100 0.017 0.000 0.775 443 G HN 0.644 nan 8.290 nan 0.000 0.543 444 E N -0.221 119.958 120.200 -0.034 0.000 2.106 444 E HA -0.076 4.274 4.350 -0.000 0.000 0.192 444 E C 2.582 179.102 176.600 -0.132 0.000 0.984 444 E CA 0.283 56.646 56.400 -0.063 0.000 0.806 444 E CB -0.110 29.569 29.700 -0.035 0.000 0.750 444 E HN 0.197 nan 8.360 nan 0.000 0.458 445 R N 1.290 121.673 120.500 -0.195 0.000 2.073 445 R HA -0.115 4.225 4.340 -0.000 0.000 0.234 445 R C 2.160 178.275 176.300 -0.308 0.000 1.134 445 R CA 1.572 57.438 56.100 -0.391 0.000 0.952 445 R CB -0.434 29.443 30.300 -0.706 0.000 0.850 445 R HN 0.158 nan 8.270 nan 0.000 0.433 446 A N 0.902 123.615 122.820 -0.178 0.000 1.908 446 A HA -0.115 4.205 4.320 -0.000 0.000 0.218 446 A C 2.451 179.922 177.584 -0.188 0.000 1.181 446 A CA 2.054 54.027 52.037 -0.107 0.000 0.627 446 A CB -0.831 18.170 19.000 0.000 0.000 0.818 446 A HN 0.529 nan 8.150 nan 0.000 0.445 447 A N -0.181 122.546 122.820 -0.154 0.000 1.883 447 A HA -0.216 4.104 4.320 -0.000 0.000 0.217 447 A C 2.252 179.708 177.584 -0.214 0.000 1.186 447 A CA 1.708 53.647 52.037 -0.165 0.000 0.624 447 A CB -0.498 18.441 19.000 -0.102 0.000 0.822 447 A HN 0.565 nan 8.150 nan 0.000 0.444 448 R N -0.545 119.836 120.500 -0.200 0.000 2.148 448 R HA -0.063 4.277 4.340 -0.000 0.000 0.223 448 R C 2.013 178.187 176.300 -0.210 0.000 1.088 448 R CA 1.144 57.134 56.100 -0.183 0.000 0.985 448 R CB -0.241 29.963 30.300 -0.160 0.000 0.880 448 R HN 0.689 nan 8.270 nan 0.000 0.451 449 E N 0.765 120.796 120.200 -0.281 0.000 2.085 449 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 449 E C 1.947 178.223 176.600 -0.541 0.000 0.994 449 E CA 1.146 57.362 56.400 -0.306 0.000 0.801 449 E CB -0.090 29.454 29.700 -0.259 0.000 0.743 449 E HN 0.325 nan 8.360 nan 0.000 0.453 450 I N 0.967 121.081 120.570 -0.760 0.000 2.252 450 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 450 I C 2.331 178.124 176.117 -0.540 0.000 1.102 450 I CA 0.869 61.629 61.300 -0.900 0.000 1.385 450 I CB -0.168 37.356 38.000 -0.792 0.000 1.064 450 I HN 0.112 nan 8.210 nan 0.000 0.414 451 L N -0.078 120.956 121.223 -0.316 0.000 2.042 451 L HA -0.289 4.051 4.340 -0.000 0.000 0.210 451 L C 2.727 179.525 176.870 -0.121 0.000 1.076 451 L CA 1.676 56.410 54.840 -0.177 0.000 0.749 451 L CB -0.917 41.075 42.059 -0.112 0.000 0.893 451 L HN 0.366 nan 8.230 nan 0.000 0.432 452 H N 0.077 119.034 119.070 -0.188 0.000 2.357 452 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 452 H C 2.132 177.397 175.328 -0.105 0.000 1.082 452 H CA 1.476 57.455 56.048 -0.116 0.000 1.342 452 H CB 0.046 29.757 29.762 -0.085 0.000 1.389 452 H HN 0.255 nan 8.280 nan 0.000 0.511 453 A N 0.507 123.163 122.820 -0.273 0.000 1.978 453 A HA -0.161 4.159 4.320 -0.000 0.000 0.220 453 A C 2.249 179.739 177.584 -0.155 0.000 1.170 453 A CA 1.822 53.715 52.037 -0.240 0.000 0.636 453 A CB -0.636 18.202 19.000 -0.271 0.000 0.810 453 A HN 0.572 nan 8.150 nan 0.000 0.448 454 M N -1.270 118.224 119.600 -0.176 0.000 2.618 454 M HA 0.165 4.645 4.480 -0.000 0.000 0.240 454 M C 1.313 177.573 176.300 -0.066 0.000 1.123 454 M CA 0.713 55.983 55.300 -0.050 0.000 1.060 454 M CB 0.132 32.713 32.600 -0.033 0.000 1.535 454 M HN 0.605 nan 8.290 nan 0.000 0.507 455 G N 1.246 109.965 108.800 -0.134 0.000 2.153 455 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.252 455 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.252 455 G C 0.852 175.720 174.900 -0.052 0.000 0.994 455 G CA 0.557 45.592 45.100 -0.110 0.000 0.698 455 G HN 0.489 nan 8.290 nan 0.000 0.521 456 K N -0.532 119.840 120.400 -0.047 0.000 2.314 456 K HA 0.323 4.643 4.320 -0.000 0.000 0.198 456 K C 1.348 177.947 176.600 -0.002 0.000 1.045 456 K CA 1.243 57.516 56.287 -0.024 0.000 0.988 456 K CB 0.291 32.770 32.500 -0.034 0.000 0.783 456 K HN 0.812 nan 8.250 nan 0.000 0.484 457 I N -1.875 118.709 120.570 0.023 0.000 2.865 457 I HA 0.464 4.634 4.170 -0.000 0.000 0.302 457 I C -2.989 173.216 176.117 0.148 0.000 1.140 457 I CA -3.001 58.333 61.300 0.056 0.000 1.021 457 I CB 2.388 40.406 38.000 0.031 0.000 1.233 457 I HN -0.254 nan 8.210 nan 0.000 0.427 458 P HA 0.130 nan 4.420 nan 0.000 0.274 458 P C 0.223 177.563 177.300 0.066 0.000 1.246 458 P CA -0.028 63.160 63.100 0.147 0.000 0.795 458 P CB 1.166 32.910 31.700 0.073 0.000 1.006 459 E N 0.787 120.950 120.200 -0.062 0.000 2.097 459 E HA -0.249 4.101 4.350 -0.000 0.000 0.196 459 E C 1.070 177.591 176.600 -0.131 0.000 1.000 459 E CA 1.631 57.804 56.400 -0.379 0.000 0.804 459 E CB -0.152 29.398 29.700 -0.251 0.000 0.740 459 E HN 0.498 nan 8.360 nan 0.000 0.454 460 D N -0.214 120.169 120.400 -0.029 0.000 2.378 460 D HA -0.136 4.504 4.640 -0.000 0.000 0.227 460 D C 0.809 177.133 176.300 0.039 0.000 1.012 460 D CA 0.587 54.600 54.000 0.022 0.000 0.905 460 D CB -0.133 40.682 40.800 0.025 0.000 0.895 460 D HN 0.319 nan 8.370 nan 0.000 0.532 461 E N -0.425 119.784 120.200 0.015 0.000 2.481 461 E HA 0.198 4.548 4.350 -0.000 0.000 0.198 461 E C 1.851 178.447 176.600 -0.007 0.000 1.027 461 E CA -0.281 56.129 56.400 0.018 0.000 0.900 461 E CB 0.408 30.116 29.700 0.012 0.000 0.993 461 E HN 0.293 nan 8.360 nan 0.000 0.482 462 I N -0.015 120.539 120.570 -0.026 0.000 2.202 462 I HA -0.173 3.997 4.170 -0.000 0.000 0.242 462 I C 0.433 176.424 176.117 -0.210 0.000 1.091 462 I CA 1.121 62.341 61.300 -0.134 0.000 1.368 462 I CB 0.087 37.999 38.000 -0.147 0.000 1.058 462 I HN 0.096 nan 8.210 nan 0.000 0.410 463 W N 1.709 123.004 121.300 -0.008 0.000 2.314 463 W HA 0.474 5.134 4.660 -0.000 0.000 0.310 463 W C 0.111 176.635 176.519 0.008 0.000 1.075 463 W CA -0.251 57.101 57.345 0.012 0.000 1.253 463 W CB 0.571 30.041 29.460 0.016 0.000 1.238 463 W HN -0.035 nan 8.180 nan 0.000 0.440 464 Q N 2.803 122.716 119.800 0.189 0.000 2.340 464 Q HA 0.435 4.775 4.340 -0.000 0.000 0.268 464 Q C 0.215 176.289 176.000 0.123 0.000 1.031 464 Q CA -0.544 55.330 55.803 0.119 0.000 0.804 464 Q CB 1.625 30.398 28.738 0.058 0.000 1.286 464 Q HN 0.540 nan 8.270 nan 0.000 0.448 465 S N 2.500 118.257 115.700 0.095 0.000 2.589 465 S HA 0.245 4.715 4.470 -0.000 0.000 0.265 465 S C -0.205 174.436 174.600 0.069 0.000 1.342 465 S CA -0.526 57.721 58.200 0.078 0.000 1.005 465 S CB 1.283 64.513 63.200 0.050 0.000 0.909 465 S HN 0.683 nan 8.310 nan 0.000 0.555 466 E N 0.961 121.203 120.200 0.069 0.000 2.199 466 E HA 0.569 4.919 4.350 -0.000 0.000 0.265 466 E C -2.798 173.832 176.600 0.050 0.000 0.882 466 E CA -2.165 54.273 56.400 0.063 0.000 0.759 466 E CB 1.027 30.777 29.700 0.082 0.000 1.148 466 E HN 0.541 nan 8.360 nan 0.000 0.412 467 P HA 0.063 nan 4.420 nan 0.000 0.268 467 P C -0.727 176.592 177.300 0.032 0.000 1.205 467 P CA -0.171 62.947 63.100 0.030 0.000 0.771 467 P CB 0.519 32.233 31.700 0.024 0.000 0.858 468 E N 1.658 121.875 120.200 0.028 0.000 2.414 468 E HA 0.065 4.415 4.350 -0.000 0.000 0.263 468 E C -0.056 176.556 176.600 0.021 0.000 1.000 468 E CA -0.238 56.179 56.400 0.028 0.000 0.914 468 E CB 0.394 30.108 29.700 0.023 0.000 0.948 468 E HN 0.389 nan 8.360 nan 0.000 0.444 469 S N 2.881 118.592 115.700 0.018 0.000 2.552 469 S HA -0.058 4.412 4.470 -0.000 0.000 0.289 469 S C 1.166 175.772 174.600 0.010 0.000 1.304 469 S CA -0.054 58.153 58.200 0.012 0.000 1.063 469 S CB 0.812 64.014 63.200 0.003 0.000 0.848 469 S HN 0.529 nan 8.310 nan 0.000 0.499 470 V N 1.869 121.790 119.914 0.011 0.000 2.951 470 V HA 0.076 4.196 4.120 -0.000 0.000 0.255 470 V C 1.466 177.565 176.094 0.008 0.000 1.088 470 V CA 1.419 63.725 62.300 0.010 0.000 1.109 470 V CB -0.540 31.290 31.823 0.011 0.000 0.724 470 V HN 0.816 nan 8.190 nan 0.000 0.471 471 D N 1.093 121.498 120.400 0.008 0.000 2.213 471 D HA 0.090 4.730 4.640 -0.000 0.000 0.205 471 D C 0.779 177.076 176.300 -0.005 0.000 0.961 471 D CA 1.162 55.166 54.000 0.007 0.000 0.853 471 D CB 0.756 41.565 40.800 0.015 0.000 0.967 471 D HN 0.515 nan 8.370 nan 0.000 0.496 472 V N 3.732 123.638 119.914 -0.013 0.000 2.320 472 V HA 0.202 4.322 4.120 -0.000 0.000 0.257 472 V C -2.395 173.686 176.094 -0.021 0.000 0.996 472 V CA -1.309 60.973 62.300 -0.030 0.000 0.928 472 V CB 1.202 32.990 31.823 -0.059 0.000 1.169 472 V HN -0.046 nan 8.190 nan 0.000 0.475 473 P HA 0.348 nan 4.420 nan 0.000 0.275 473 P C -0.353 176.946 177.300 -0.002 0.000 1.228 473 P CA 0.036 63.135 63.100 -0.002 0.000 0.786 473 P CB 1.564 33.265 31.700 0.001 0.000 0.927 474 A N 3.345 126.170 122.820 0.008 0.000 2.260 474 A HA 0.285 4.605 4.320 -0.000 0.000 0.308 474 A C 0.355 177.947 177.584 0.013 0.000 1.254 474 A CA -0.512 51.534 52.037 0.015 0.000 0.874 474 A CB 0.075 19.096 19.000 0.035 0.000 1.153 474 A HN 0.431 nan 8.150 nan 0.000 0.527 475 Q N 2.813 122.619 119.800 0.010 0.000 2.327 475 Q HA 0.305 4.645 4.340 -0.000 0.000 0.254 475 Q C -2.227 173.781 176.000 0.013 0.000 0.952 475 Q CA -1.665 54.144 55.803 0.010 0.000 0.884 475 Q CB 0.630 29.373 28.738 0.008 0.000 1.224 475 Q HN 0.562 nan 8.270 nan 0.000 0.422 476 P HA 0.159 nan 4.420 nan 0.000 0.272 476 P C -0.309 176.996 177.300 0.007 0.000 1.230 476 P CA -0.334 62.770 63.100 0.006 0.000 0.788 476 P CB 0.739 32.441 31.700 0.002 0.000 0.949 477 I N 2.030 122.601 120.570 0.003 0.000 2.352 477 I HA 0.177 4.347 4.170 -0.000 0.000 0.290 477 I C 1.201 177.316 176.117 -0.004 0.000 1.036 477 I CA 0.210 61.511 61.300 0.003 0.000 1.336 477 I CB 0.109 38.106 38.000 -0.004 0.000 1.407 477 I HN 0.423 nan 8.210 nan 0.000 0.497 478 T N 2.045 116.601 114.554 0.003 0.000 2.932 478 T HA 0.820 5.170 4.350 -0.000 0.000 0.289 478 T C -0.027 174.671 174.700 -0.004 0.000 1.039 478 T CA -0.683 61.418 62.100 0.001 0.000 1.024 478 T CB 2.239 71.115 68.868 0.012 0.000 1.090 478 T HN 0.646 nan 8.240 nan 0.000 0.496 479 T N -1.283 113.265 114.554 -0.010 0.000 2.916 479 T HA 0.749 5.099 4.350 -0.000 0.000 0.292 479 T C 0.182 174.888 174.700 0.010 0.000 1.064 479 T CA -0.732 61.356 62.100 -0.020 0.000 1.011 479 T CB 1.359 70.189 68.868 -0.064 0.000 1.152 479 T HN 1.023 nan 8.240 nan 0.000 0.510 480 T N -0.648 113.919 114.554 0.022 0.000 2.927 480 T HA 0.444 4.794 4.350 -0.000 0.000 0.281 480 T C 0.819 175.580 174.700 0.101 0.000 0.998 480 T CA -0.878 61.269 62.100 0.078 0.000 1.019 480 T CB 0.804 69.725 68.868 0.089 0.000 1.061 480 T HN 0.523 nan 8.240 nan 0.000 0.518 481 F N 0.834 120.810 119.950 0.042 0.000 2.091 481 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 481 F C 1.930 177.800 175.800 0.116 0.000 1.103 481 F CA 1.522 59.586 58.000 0.107 0.000 1.228 481 F CB -0.459 38.608 39.000 0.111 0.000 0.984 481 F HN 0.513 nan 8.300 nan 0.000 0.477 482 L N -0.153 121.197 121.223 0.213 0.000 2.056 482 L HA -0.203 4.137 4.340 -0.000 0.000 0.207 482 L C 2.390 179.272 176.870 0.020 0.000 1.078 482 L CA 1.627 56.541 54.840 0.122 0.000 0.749 482 L CB -0.787 41.367 42.059 0.158 0.000 0.901 482 L HN 0.161 nan 8.230 nan 0.000 0.433 483 E N -0.050 120.155 120.200 0.009 0.000 2.085 483 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 483 E C 2.355 178.853 176.600 -0.170 0.000 0.994 483 E CA 1.227 57.593 56.400 -0.057 0.000 0.801 483 E CB -0.033 29.633 29.700 -0.056 0.000 0.743 483 E HN 0.390 nan 8.360 nan 0.000 0.453 484 R N -0.537 119.795 120.500 -0.279 0.000 2.092 484 R HA -0.054 4.286 4.340 -0.000 0.000 0.231 484 R C 1.816 177.736 176.300 -0.633 0.000 1.119 484 R CA 1.049 56.842 56.100 -0.511 0.000 0.970 484 R CB 0.048 29.913 30.300 -0.724 0.000 0.864 484 R HN 0.296 nan 8.270 nan 0.000 0.440 485 H N -0.907 117.975 119.070 -0.314 0.000 2.874 485 H HA 0.203 4.759 4.556 -0.000 0.000 0.264 485 H C 0.333 175.557 175.328 -0.173 0.000 1.007 485 H CA -0.190 55.669 56.048 -0.315 0.000 1.207 485 H CB 0.447 29.859 29.762 -0.583 0.000 1.487 485 H HN 0.024 nan 8.280 nan 0.000 0.505 486 L N 4.561 125.767 121.223 -0.027 0.000 2.525 486 L HA 0.039 4.379 4.340 -0.000 0.000 0.278 486 L C -1.663 175.191 176.870 -0.027 0.000 1.218 486 L CA -1.327 53.519 54.840 0.009 0.000 0.878 486 L CB 0.290 42.391 42.059 0.070 0.000 1.127 486 L HN -0.007 nan 8.230 nan 0.000 0.492 487 P HA 0.111 nan 4.420 nan 0.000 0.274 487 P C -0.570 176.678 177.300 -0.086 0.000 1.237 487 P CA -0.580 62.484 63.100 -0.059 0.000 0.793 487 P CB 1.034 32.699 31.700 -0.058 0.000 0.977 488 S N 0.258 115.886 115.700 -0.120 0.000 2.626 488 S HA 0.079 4.549 4.470 -0.000 0.000 0.257 488 S C 1.523 175.977 174.600 -0.244 0.000 1.288 488 S CA -0.519 57.582 58.200 -0.166 0.000 0.980 488 S CB -0.402 62.697 63.200 -0.169 0.000 0.975 488 S HN 0.221 nan 8.310 nan 0.000 0.577 489 V N 2.337 122.034 119.914 -0.361 0.000 2.261 489 V HA -0.073 4.047 4.120 -0.000 0.000 0.246 489 V C -0.421 175.237 176.094 -0.727 0.000 1.047 489 V CA 1.944 63.934 62.300 -0.517 0.000 1.015 489 V CB -1.945 29.544 31.823 -0.557 0.000 0.642 489 V HN 0.802 nan 8.190 nan 0.000 0.446 490 P HA -0.103 nan 4.420 nan 0.000 0.218 490 P C 1.772 178.869 177.300 -0.338 0.000 1.149 490 P CA 1.946 64.606 63.100 -0.733 0.000 0.817 490 P CB -0.295 31.096 31.700 -0.514 0.000 0.785 491 G N 0.784 109.426 108.800 -0.263 0.000 2.440 491 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.218 491 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.218 491 G C 1.524 176.343 174.900 -0.134 0.000 1.154 491 G CA 0.693 45.701 45.100 -0.153 0.000 0.767 491 G HN 0.249 nan 8.290 nan 0.000 0.552 492 L N 0.473 121.600 121.223 -0.159 0.000 2.083 492 L HA 0.104 4.444 4.340 -0.000 0.000 0.209 492 L C 2.680 179.482 176.870 -0.112 0.000 1.083 492 L CA 1.315 56.084 54.840 -0.117 0.000 0.752 492 L CB -0.355 41.637 42.059 -0.112 0.000 0.899 492 L HN 0.219 nan 8.230 nan 0.000 0.433 493 L N -1.103 120.024 121.223 -0.161 0.000 2.141 493 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 493 L C 2.731 179.554 176.870 -0.079 0.000 1.094 493 L CA 1.028 55.795 54.840 -0.123 0.000 0.763 493 L CB -0.535 41.423 42.059 -0.168 0.000 0.908 493 L HN 0.229 nan 8.230 nan 0.000 0.437 494 R N -0.357 120.093 120.500 -0.084 0.000 2.092 494 R HA -0.130 4.210 4.340 -0.000 0.000 0.231 494 R C 2.222 178.499 176.300 -0.038 0.000 1.119 494 R CA 1.018 57.088 56.100 -0.050 0.000 0.970 494 R CB -0.299 29.972 30.300 -0.047 0.000 0.864 494 R HN 0.176 nan 8.270 nan 0.000 0.440 495 L N 0.732 121.928 121.223 -0.044 0.000 2.131 495 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 495 L C 0.986 177.841 176.870 -0.026 0.000 1.092 495 L CA 1.373 56.194 54.840 -0.032 0.000 0.759 495 L CB -0.254 41.785 42.059 -0.033 0.000 0.903 495 L HN 0.022 nan 8.230 nan 0.000 0.435 496 I N 0.000 120.552 120.570 -0.031 0.000 2.984 496 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 496 I CA 0.000 61.287 61.300 -0.021 0.000 1.566 496 I CB 0.000 37.986 38.000 -0.024 0.000 1.214 496 I HN 0.000 nan 8.210 nan 0.000 0.494