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 3po7_1_A DATA FIRST_RESID 3 DATA SEQUENCE NKCDVVVVGG GISGMAAAKL LHDSGLNVVV LEARDRVGGR TYTLRNQKVK DATA SEQUENCE YVDLGGSYVG PTQNRILRLA KELGLETYKV NEVERLIHHV KGKSYPFRGP DATA SEQUENCE FPPVWNPITY LDHNNFWRTM DDMGREIPSD APWKAPLAEE WDNMTMKELL DATA SEQUENCE DKLCWTESAK QLATLFVNLC VTAETHEVSA LWFLWYVKQC GGTTRIISTT DATA SEQUENCE NGGQERKFVG GSGQVSERIM DLLGDRVKLE RPVIYIDQTR ENVLVETLNH DATA SEQUENCE EMYEAKYVIS AIPPTLGMKI HFNPPLPMMR NQMITRVPLG SVIKCIVYYK DATA SEQUENCE EPFWRKKDYC GTMIIDGEEA PVAYTLDDTK PEGNYAAIMG FILAHKARKL DATA SEQUENCE ARLTKEERLK KLCELYAKVL GSLEALEPVH YEEKNWCEEQ YSGGCYTTYF DATA SEQUENCE PPGILTQYGR VLRQPVDRIY FAGTETATHW SGYMEGAVEA GERAAREILH DATA SEQUENCE AMGKIPEDEI WQSEPESVDV PAQPITTTFL ERHLPSVPGL LRLIGLTTI 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 0.000 175.509 175.510 -0.002 0.000 1.280 3 N CA 0.000 52.942 53.050 -0.180 0.000 0.885 3 N CB 0.000 38.416 38.487 -0.118 0.000 1.341 4 K N 1.920 122.332 120.400 0.019 0.000 2.201 4 K HA 0.570 4.890 4.320 0.000 0.000 0.278 4 K C 0.229 176.869 176.600 0.067 0.000 1.027 4 K CA -0.299 56.013 56.287 0.041 0.000 0.909 4 K CB 1.579 34.090 32.500 0.018 0.000 1.062 4 K HN 0.666 nan 8.250 nan 0.000 0.465 5 C N -1.050 118.293 119.300 0.072 0.000 3.293 5 C HA 0.421 4.881 4.460 0.000 0.000 0.362 5 C C 0.724 175.750 174.990 0.059 0.000 1.539 5 C CA -0.765 58.295 59.018 0.070 0.000 1.201 5 C CB 0.970 28.763 27.740 0.088 0.000 1.770 5 C HN 0.766 nan 8.230 nan 0.000 0.440 6 D N 0.175 120.613 120.400 0.064 0.000 2.149 6 D HA 0.156 4.796 4.640 0.000 0.000 0.206 6 D C 0.281 176.647 176.300 0.109 0.000 0.967 6 D CA 1.640 55.688 54.000 0.079 0.000 0.848 6 D CB 0.346 41.191 40.800 0.076 0.000 0.998 6 D HN 0.482 nan 8.370 nan 0.000 0.474 7 V N 1.365 121.332 119.914 0.089 0.000 2.686 7 V HA 0.258 4.378 4.120 0.000 0.000 0.306 7 V C -0.218 175.906 176.094 0.051 0.000 1.065 7 V CA -0.844 61.510 62.300 0.090 0.000 0.894 7 V CB 2.837 34.701 31.823 0.069 0.000 1.004 7 V HN -0.256 nan 8.190 nan 0.000 0.424 8 V N 5.167 125.106 119.914 0.041 0.000 2.407 8 V HA 0.421 4.541 4.120 0.000 0.000 0.278 8 V C -0.088 175.998 176.094 -0.013 0.000 1.037 8 V CA -0.431 61.864 62.300 -0.008 0.000 0.900 8 V CB 1.889 33.701 31.823 -0.018 0.000 0.983 8 V HN 0.635 nan 8.190 nan 0.000 0.459 9 V N 6.263 126.154 119.914 -0.038 0.000 2.370 9 V HA 0.325 4.445 4.120 0.000 0.000 0.279 9 V C -0.002 176.064 176.094 -0.047 0.000 1.029 9 V CA -0.552 61.731 62.300 -0.028 0.000 0.870 9 V CB 1.764 33.573 31.823 -0.023 0.000 0.984 9 V HN 0.601 nan 8.190 nan 0.000 0.451 10 V N 4.681 124.581 119.914 -0.023 0.000 2.368 10 V HA 0.799 4.919 4.120 0.000 0.000 0.266 10 V C 0.679 176.774 176.094 0.002 0.000 1.045 10 V CA 0.428 62.715 62.300 -0.023 0.000 0.899 10 V CB 0.478 32.304 31.823 0.006 0.000 1.006 10 V HN 1.253 nan 8.190 nan 0.000 0.470 11 G N 3.656 112.444 108.800 -0.020 0.000 3.367 11 G HA2 0.169 4.129 3.960 0.000 0.000 0.686 11 G HA3 0.169 4.129 3.960 0.000 0.000 0.686 11 G C 0.102 175.001 174.900 -0.001 0.000 1.146 11 G CA -0.498 44.603 45.100 0.002 0.000 0.913 11 G HN 1.198 nan 8.290 nan 0.000 0.554 12 G N 0.785 109.581 108.800 -0.006 0.000 3.959 12 G HA2 0.667 4.627 3.960 0.000 0.000 0.298 12 G HA3 0.667 4.627 3.960 0.000 0.000 0.298 12 G C 0.913 175.826 174.900 0.022 0.000 1.211 12 G CA 0.930 46.029 45.100 -0.003 0.000 1.001 12 G HN 1.285 nan 8.290 nan 0.000 0.561 13 G N -0.112 108.713 108.800 0.041 0.000 2.553 13 G HA2 0.340 4.300 3.960 0.000 0.000 0.278 13 G HA3 0.340 4.300 3.960 0.000 0.000 0.278 13 G C 1.201 176.127 174.900 0.043 0.000 1.349 13 G CA -0.745 44.389 45.100 0.057 0.000 1.037 13 G HN 0.128 nan 8.290 nan 0.000 0.508 14 I N -0.554 120.044 120.570 0.047 0.000 2.194 14 I HA -0.238 3.932 4.170 0.000 0.000 0.246 14 I C 3.039 179.179 176.117 0.038 0.000 1.093 14 I CA 1.701 63.022 61.300 0.034 0.000 1.355 14 I CB -0.134 37.890 38.000 0.041 0.000 1.046 14 I HN 0.476 nan 8.210 nan 0.000 0.413 15 S N 0.485 116.220 115.700 0.059 0.000 2.348 15 S HA -0.143 4.327 4.470 0.000 0.000 0.221 15 S C 2.106 176.732 174.600 0.043 0.000 1.033 15 S CA 1.679 59.916 58.200 0.063 0.000 1.010 15 S CB -0.640 62.616 63.200 0.093 0.000 0.891 15 S HN 0.586 nan 8.310 nan 0.000 0.442 16 G N 1.426 110.250 108.800 0.040 0.000 2.418 16 G HA2 -0.166 3.794 3.960 0.000 0.000 0.217 16 G HA3 -0.166 3.794 3.960 0.000 0.000 0.217 16 G C 1.437 176.340 174.900 0.004 0.000 1.158 16 G CA 0.972 46.085 45.100 0.022 0.000 0.771 16 G HN 0.398 nan 8.290 nan 0.000 0.545 17 M N 1.179 120.780 119.600 0.002 0.000 2.132 17 M HA 0.107 4.587 4.480 0.000 0.000 0.263 17 M C 3.004 179.296 176.300 -0.013 0.000 1.065 17 M CA 1.167 56.459 55.300 -0.014 0.000 1.122 17 M CB -1.326 31.263 32.600 -0.018 0.000 1.365 17 M HN 0.307 nan 8.290 nan 0.000 0.411 18 A N 0.369 123.187 122.820 -0.003 0.000 1.902 18 A HA 0.001 4.321 4.320 0.000 0.000 0.217 18 A C 2.468 180.049 177.584 -0.005 0.000 1.181 18 A CA 2.156 54.191 52.037 -0.003 0.000 0.623 18 A CB -0.918 18.086 19.000 0.007 0.000 0.818 18 A HN 0.465 nan 8.150 nan 0.000 0.443 19 A N -0.055 122.762 122.820 -0.004 0.000 1.858 19 A HA 0.137 4.457 4.320 0.000 0.000 0.216 19 A C 2.546 180.124 177.584 -0.010 0.000 1.190 19 A CA 2.274 54.303 52.037 -0.013 0.000 0.617 19 A CB -1.155 17.839 19.000 -0.010 0.000 0.827 19 A HN 1.102 nan 8.150 nan 0.000 0.443 20 A N -0.230 122.586 122.820 -0.006 0.000 1.908 20 A HA -0.201 4.119 4.320 0.000 0.000 0.218 20 A C 2.149 179.747 177.584 0.023 0.000 1.181 20 A CA 2.161 54.198 52.037 -0.000 0.000 0.627 20 A CB -0.502 18.484 19.000 -0.022 0.000 0.818 20 A HN 0.593 nan 8.150 nan 0.000 0.445 21 K N -0.458 119.947 120.400 0.008 0.000 2.026 21 K HA -0.112 4.208 4.320 0.000 0.000 0.208 21 K C 2.006 178.642 176.600 0.061 0.000 1.048 21 K CA 1.545 57.851 56.287 0.031 0.000 0.929 21 K CB -0.329 32.172 32.500 0.002 0.000 0.713 21 K HN 0.447 nan 8.250 nan 0.000 0.439 22 L N 1.157 122.394 121.223 0.023 0.000 2.012 22 L HA -0.196 4.144 4.340 0.000 0.000 0.210 22 L C 2.216 179.092 176.870 0.009 0.000 1.073 22 L CA 1.279 56.123 54.840 0.007 0.000 0.748 22 L CB -0.198 41.850 42.059 -0.018 0.000 0.891 22 L HN 0.261 nan 8.230 nan 0.000 0.431 23 L N -1.029 120.200 121.223 0.011 0.000 2.046 23 L HA -0.287 4.054 4.340 0.000 0.000 0.208 23 L C 2.614 179.506 176.870 0.037 0.000 1.077 23 L CA 1.615 56.459 54.840 0.007 0.000 0.747 23 L CB -0.869 41.191 42.059 0.002 0.000 0.896 23 L HN 0.426 nan 8.230 nan 0.000 0.432 24 H N 0.283 119.340 119.070 -0.021 0.000 2.321 24 H HA -0.195 4.361 4.556 0.000 0.000 0.300 24 H C 1.819 177.139 175.328 -0.015 0.000 1.087 24 H CA 2.027 58.066 56.048 -0.015 0.000 1.319 24 H CB 0.023 29.777 29.762 -0.014 0.000 1.379 24 H HN 0.225 nan 8.280 nan 0.000 0.501 25 D N -0.598 119.812 120.400 0.015 0.000 2.218 25 D HA -0.090 4.550 4.640 0.000 0.000 0.204 25 D C 1.800 178.057 176.300 -0.072 0.000 0.976 25 D CA 1.135 55.111 54.000 -0.040 0.000 0.853 25 D CB -0.200 40.610 40.800 0.017 0.000 0.939 25 D HN 0.319 nan 8.370 nan 0.000 0.481 26 S N -1.125 114.540 115.700 -0.059 0.000 2.603 26 S HA 0.248 4.718 4.470 0.000 0.000 0.220 26 S C 1.581 176.139 174.600 -0.070 0.000 0.967 26 S CA 0.582 58.749 58.200 -0.055 0.000 0.920 26 S CB 0.626 63.800 63.200 -0.043 0.000 0.773 26 S HN 0.453 nan 8.310 nan 0.000 0.529 27 G N 0.919 109.652 108.800 -0.112 0.000 2.159 27 G HA2 -0.193 3.767 3.960 0.000 0.000 0.227 27 G HA3 -0.193 3.767 3.960 0.000 0.000 0.227 27 G C -0.006 174.846 174.900 -0.079 0.000 0.986 27 G CA -0.299 44.733 45.100 -0.113 0.000 0.651 27 G HN 0.420 nan 8.290 nan 0.000 0.523 28 L N 0.561 121.751 121.223 -0.055 0.000 2.421 28 L HA 0.418 4.758 4.340 0.000 0.000 0.263 28 L C 0.104 176.985 176.870 0.017 0.000 1.122 28 L CA -1.001 53.832 54.840 -0.011 0.000 0.804 28 L CB 0.628 42.688 42.059 0.003 0.000 1.150 28 L HN 0.008 nan 8.230 nan 0.000 0.457 29 N N 1.927 120.650 118.700 0.038 0.000 2.420 29 N HA 0.279 5.019 4.740 0.000 0.000 0.249 29 N C -0.666 174.888 175.510 0.073 0.000 1.033 29 N CA -0.120 52.969 53.050 0.065 0.000 0.944 29 N CB 1.540 40.059 38.487 0.054 0.000 1.113 29 N HN 0.345 nan 8.380 nan 0.000 0.502 30 V N 0.162 120.131 119.914 0.091 0.000 2.769 30 V HA 0.751 4.871 4.120 0.000 0.000 0.312 30 V C -0.062 176.054 176.094 0.037 0.000 1.058 30 V CA -0.706 61.630 62.300 0.061 0.000 0.952 30 V CB 1.962 33.818 31.823 0.056 0.000 1.019 30 V HN 0.154 nan 8.190 nan 0.000 0.445 31 V N 3.409 123.326 119.914 0.004 0.000 2.656 31 V HA 0.553 4.673 4.120 0.000 0.000 0.307 31 V C -0.398 175.640 176.094 -0.092 0.000 1.051 31 V CA -0.551 61.722 62.300 -0.044 0.000 0.893 31 V CB 2.156 33.944 31.823 -0.058 0.000 0.999 31 V HN 0.840 nan 8.190 nan 0.000 0.426 32 V N 5.843 125.693 119.914 -0.107 0.000 2.370 32 V HA 0.453 4.573 4.120 0.000 0.000 0.283 32 V C -0.246 175.751 176.094 -0.163 0.000 1.023 32 V CA -0.438 61.796 62.300 -0.110 0.000 0.857 32 V CB 1.477 33.255 31.823 -0.075 0.000 0.985 32 V HN 0.610 nan 8.190 nan 0.000 0.443 33 L N 4.623 125.733 121.223 -0.190 0.000 2.262 33 L HA 0.593 4.933 4.340 0.000 0.000 0.288 33 L C -0.129 176.654 176.870 -0.145 0.000 1.035 33 L CA -0.324 54.385 54.840 -0.219 0.000 0.820 33 L CB 1.311 43.197 42.059 -0.287 0.000 1.204 33 L HN 0.621 nan 8.230 nan 0.000 0.424 34 E N 2.384 122.505 120.200 -0.132 0.000 2.176 34 E HA 0.483 4.833 4.350 0.000 0.000 0.267 34 E C 0.364 176.859 176.600 -0.175 0.000 0.893 34 E CA -0.318 56.008 56.400 -0.123 0.000 0.761 34 E CB 2.058 31.709 29.700 -0.082 0.000 1.133 34 E HN 0.546 nan 8.360 nan 0.000 0.409 35 A N 5.418 128.071 122.820 -0.279 0.000 1.933 35 A HA -0.051 4.269 4.320 0.000 0.000 0.218 35 A C 1.077 178.435 177.584 -0.376 0.000 1.175 35 A CA 1.050 52.786 52.037 -0.500 0.000 0.628 35 A CB -0.199 18.109 19.000 -1.153 0.000 0.814 35 A HN 0.605 nan 8.150 nan 0.000 0.444 36 R N -0.177 120.183 120.500 -0.234 0.000 2.541 36 R HA 0.250 4.590 4.340 0.000 0.000 0.263 36 R C 0.136 176.400 176.300 -0.060 0.000 1.112 36 R CA 0.129 56.168 56.100 -0.101 0.000 1.170 36 R CB 0.183 30.462 30.300 -0.034 0.000 1.167 36 R HN 0.453 nan 8.270 nan 0.000 0.582 37 D N 0.381 120.765 120.400 -0.028 0.000 2.324 37 D HA -0.040 4.600 4.640 0.000 0.000 0.235 37 D C -0.122 176.181 176.300 0.006 0.000 1.095 37 D CA 0.130 54.124 54.000 -0.011 0.000 0.871 37 D CB -0.053 40.747 40.800 -0.000 0.000 0.906 37 D HN 0.424 nan 8.370 nan 0.000 0.522 38 R N -1.308 119.197 120.500 0.008 0.000 2.734 38 R HA 0.591 4.931 4.340 0.000 0.000 0.271 38 R C -0.728 175.593 176.300 0.035 0.000 1.021 38 R CA -1.135 54.988 56.100 0.038 0.000 0.893 38 R CB 1.190 31.539 30.300 0.082 0.000 1.244 38 R HN -0.093 nan 8.270 nan 0.000 0.464 39 V N -1.556 118.385 119.914 0.046 0.000 3.109 39 V HA 0.869 4.989 4.120 0.000 0.000 0.317 39 V C 0.918 177.065 176.094 0.088 0.000 1.074 39 V CA 0.413 62.740 62.300 0.044 0.000 1.033 39 V CB 0.823 32.657 31.823 0.018 0.000 1.111 39 V HN 1.189 nan 8.190 nan 0.000 0.458 40 G N -0.730 108.122 108.800 0.085 0.000 2.391 40 G HA2 0.166 4.126 3.960 0.000 0.000 0.204 40 G HA3 0.166 4.126 3.960 0.000 0.000 0.204 40 G C 1.583 176.569 174.900 0.144 0.000 1.012 40 G CA 0.747 45.918 45.100 0.118 0.000 0.651 40 G HN 2.608 nan 8.290 nan 0.000 0.494 41 G N 0.608 109.505 108.800 0.162 0.000 2.620 41 G HA2 -0.407 3.553 3.960 0.000 0.000 0.315 41 G HA3 -0.407 3.553 3.960 0.000 0.000 0.315 41 G C 0.974 176.030 174.900 0.260 0.000 1.179 41 G CA 1.494 46.706 45.100 0.186 0.000 0.971 41 G HN 1.174 nan 8.290 nan 0.000 0.544 42 R N 1.816 122.380 120.500 0.105 0.000 2.323 42 R HA 0.206 4.546 4.340 0.000 0.000 0.198 42 R C 1.153 177.355 176.300 -0.163 0.000 0.988 42 R CA 1.073 57.059 56.100 -0.190 0.000 1.041 42 R CB -0.176 29.978 30.300 -0.243 0.000 0.926 42 R HN 0.713 nan 8.270 nan 0.000 0.476 43 T N -2.316 112.290 114.554 0.087 0.000 2.837 43 T HA 0.337 4.687 4.350 0.000 0.000 0.285 43 T C -0.900 174.027 174.700 0.378 0.000 0.984 43 T CA -0.590 61.612 62.100 0.171 0.000 1.049 43 T CB 1.494 70.429 68.868 0.112 0.000 0.947 43 T HN 0.114 nan 8.240 nan 0.000 0.472 44 Y N 1.282 121.732 120.300 0.250 0.000 2.287 44 Y HA 0.398 4.948 4.550 0.000 0.000 0.321 44 Y C -1.102 174.914 175.900 0.193 0.000 1.173 44 Y CA -0.821 57.425 58.100 0.244 0.000 1.124 44 Y CB 1.457 40.121 38.460 0.340 0.000 1.201 44 Y HN 0.867 nan 8.280 nan 0.000 0.421 45 T N 7.816 122.213 114.554 -0.262 0.000 2.753 45 T HA 0.356 4.706 4.350 0.000 0.000 0.297 45 T C -0.650 173.723 174.700 -0.545 0.000 0.981 45 T CA -0.353 61.586 62.100 -0.269 0.000 0.956 45 T CB 0.324 69.141 68.868 -0.085 0.000 0.936 45 T HN 0.572 nan 8.240 nan 0.000 0.463 46 L N 4.876 125.791 121.223 -0.514 0.000 2.331 46 L HA 0.505 4.845 4.340 0.000 0.000 0.278 46 L C -0.064 176.732 176.870 -0.123 0.000 1.106 46 L CA 0.102 54.721 54.840 -0.368 0.000 0.824 46 L CB 0.307 42.256 42.059 -0.183 0.000 1.142 46 L HN 0.503 nan 8.230 nan 0.000 0.443 47 R N 3.883 124.337 120.500 -0.077 0.000 2.480 47 R HA 0.621 4.961 4.340 0.000 0.000 0.306 47 R C -1.072 175.213 176.300 -0.025 0.000 0.958 47 R CA -0.614 55.470 56.100 -0.027 0.000 0.861 47 R CB 1.311 31.605 30.300 -0.011 0.000 1.171 47 R HN 0.904 nan 8.270 nan 0.000 0.445 48 N N -0.544 118.128 118.700 -0.046 0.000 3.106 48 N HA 0.056 4.796 4.740 0.000 0.000 0.253 48 N C -0.125 175.338 175.510 -0.078 0.000 1.506 48 N CA -0.850 52.170 53.050 -0.049 0.000 0.876 48 N CB 0.701 39.164 38.487 -0.040 0.000 1.452 48 N HN 0.133 nan 8.380 nan 0.000 0.542 49 Q N -0.324 119.435 119.800 -0.069 0.000 2.230 49 Q HA 0.101 4.441 4.340 0.000 0.000 0.202 49 Q C 0.667 176.631 176.000 -0.061 0.000 0.963 49 Q CA 1.032 56.808 55.803 -0.046 0.000 0.866 49 Q CB -0.060 28.660 28.738 -0.030 0.000 0.931 49 Q HN 0.527 nan 8.270 nan 0.000 0.452 50 K N 0.349 120.624 120.400 -0.208 0.000 2.155 50 K HA -0.033 4.287 4.320 0.000 0.000 0.203 50 K C 1.982 178.396 176.600 -0.310 0.000 1.052 50 K CA 1.066 57.127 56.287 -0.377 0.000 0.948 50 K CB 0.149 32.083 32.500 -0.944 0.000 0.728 50 K HN 0.262 nan 8.250 nan 0.000 0.448 51 V N -2.966 116.747 119.914 -0.337 0.000 3.645 51 V HA 0.238 4.358 4.120 0.000 0.000 0.275 51 V C 1.392 177.132 176.094 -0.589 0.000 1.356 51 V CA 0.705 62.769 62.300 -0.394 0.000 1.051 51 V CB 0.249 31.868 31.823 -0.340 0.000 0.828 51 V HN 0.263 nan 8.190 nan 0.000 0.441 52 K N 0.574 120.706 120.400 -0.445 0.000 10.883 52 K HA -0.303 4.017 4.320 0.000 0.000 0.526 52 K C 0.140 176.655 176.600 -0.142 0.000 0.382 52 K CA 2.467 58.525 56.287 -0.383 0.000 1.943 52 K CB -1.499 30.560 32.500 -0.735 0.000 0.766 52 K HN 0.968 nan 8.250 nan 0.000 1.214 53 Y N -1.850 118.310 120.300 -0.233 0.000 2.571 53 Y HA 0.740 5.290 4.550 0.000 0.000 0.341 53 Y C -1.247 174.613 175.900 -0.067 0.000 1.076 53 Y CA -0.703 57.319 58.100 -0.130 0.000 1.029 53 Y CB 2.100 40.500 38.460 -0.100 0.000 1.308 53 Y HN 0.050 nan 8.280 nan 0.000 0.461 54 V N 2.293 122.267 119.914 0.100 0.000 2.852 54 V HA 0.334 4.454 4.120 0.000 0.000 0.300 54 V C -1.655 174.497 176.094 0.097 0.000 1.205 54 V CA -0.654 61.701 62.300 0.092 0.000 0.940 54 V CB 1.937 33.834 31.823 0.124 0.000 1.047 54 V HN 0.928 nan 8.190 nan 0.000 0.429 55 D N 5.734 126.203 120.400 0.115 0.000 2.339 55 D HA 0.290 4.930 4.640 0.000 0.000 0.256 55 D C 0.853 177.240 176.300 0.145 0.000 1.214 55 D CA 0.237 54.296 54.000 0.098 0.000 0.877 55 D CB 1.820 42.650 40.800 0.049 0.000 1.111 55 D HN 0.524 nan 8.370 nan 0.000 0.478 56 L N 1.474 122.840 121.223 0.239 0.000 2.554 56 L HA 0.216 4.556 4.340 0.000 0.000 0.225 56 L C 1.533 178.805 176.870 0.671 0.000 1.104 56 L CA 0.050 55.130 54.840 0.399 0.000 0.866 56 L CB 0.345 42.654 42.059 0.417 0.000 1.047 56 L HN 0.325 nan 8.230 nan 0.000 0.468 57 G N -0.709 108.417 108.800 0.542 0.000 3.175 57 G HA2 0.430 4.390 3.960 0.000 0.000 0.153 57 G HA3 0.430 4.390 3.960 0.000 0.000 0.153 57 G C -0.148 174.789 174.900 0.062 0.000 1.216 57 G CA -0.078 45.161 45.100 0.232 0.000 0.943 57 G HN 0.083 nan 8.290 nan 0.000 0.611 58 G N -0.790 107.972 108.800 -0.062 0.000 2.321 58 G HA2 0.359 4.319 3.960 0.000 0.000 0.237 58 G HA3 0.359 4.319 3.960 0.000 0.000 0.237 58 G C 0.544 175.424 174.900 -0.033 0.000 1.282 58 G CA 0.920 45.989 45.100 -0.053 0.000 0.886 58 G HN 0.832 nan 8.290 nan 0.000 0.528 59 S N 1.255 116.877 115.700 -0.130 0.000 3.330 59 S HA 0.189 4.659 4.470 0.000 0.000 0.259 59 S C 0.099 174.451 174.600 -0.414 0.000 1.095 59 S CA -0.329 57.687 58.200 -0.306 0.000 0.841 59 S CB -0.015 62.837 63.200 -0.579 0.000 0.890 59 S HN 0.489 nan 8.310 nan 0.000 0.446 60 Y N 2.968 123.227 120.300 -0.069 0.000 2.319 60 Y HA 0.517 5.067 4.550 0.000 0.000 0.328 60 Y C 0.323 176.094 175.900 -0.215 0.000 1.133 60 Y CA -0.417 57.592 58.100 -0.151 0.000 1.265 60 Y CB 1.060 39.474 38.460 -0.078 0.000 1.218 60 Y HN 0.131 nan 8.280 nan 0.000 0.508 61 V N -0.107 119.683 119.914 -0.207 0.000 3.074 61 V HA 1.106 5.226 4.120 0.000 0.000 0.314 61 V C -0.241 175.665 176.094 -0.314 0.000 1.117 61 V CA -0.529 61.577 62.300 -0.323 0.000 1.014 61 V CB 1.695 33.250 31.823 -0.447 0.000 1.057 61 V HN 0.932 nan 8.190 nan 0.000 0.438 62 G N 0.289 108.858 108.800 -0.386 0.000 2.606 62 G HA2 0.713 4.673 3.960 0.000 0.000 0.300 62 G HA3 0.713 4.673 3.960 0.000 0.000 0.300 62 G C -3.406 171.333 174.900 -0.267 0.000 1.360 62 G CA -1.147 43.777 45.100 -0.293 0.000 0.783 62 G HN 0.732 nan 8.290 nan 0.000 0.484 63 P HA 0.108 nan 4.420 nan 0.000 0.265 63 P C 0.746 178.028 177.300 -0.029 0.000 1.187 63 P CA 1.969 65.025 63.100 -0.073 0.000 0.766 63 P CB 0.937 32.621 31.700 -0.027 0.000 0.820 64 T N -1.291 113.273 114.554 0.017 0.000 6.424 64 T HA -0.240 4.110 4.350 0.000 0.000 0.279 64 T C 0.288 175.012 174.700 0.039 0.000 2.176 64 T CA 0.919 63.104 62.100 0.141 0.000 3.628 64 T CB -2.681 66.397 68.868 0.350 0.000 1.165 64 T HN 0.578 nan 8.240 nan 0.000 1.080 65 Q N 1.398 121.044 119.800 -0.256 0.000 3.207 65 Q HA 0.365 4.705 4.340 0.000 0.000 0.335 65 Q C 0.909 176.810 176.000 -0.165 0.000 1.374 65 Q CA -0.446 55.108 55.803 -0.415 0.000 1.023 65 Q CB 0.147 28.453 28.738 -0.720 0.000 1.576 65 Q HN 0.506 nan 8.270 nan 0.000 0.515 66 N N 0.800 119.475 118.700 -0.041 0.000 2.396 66 N HA -0.069 4.671 4.740 0.000 0.000 0.180 66 N C 1.240 176.759 175.510 0.015 0.000 1.028 66 N CA 0.792 53.844 53.050 0.003 0.000 0.893 66 N CB 0.260 38.772 38.487 0.042 0.000 0.967 66 N HN 0.384 nan 8.380 nan 0.000 0.440 67 R N 0.478 120.991 120.500 0.022 0.000 2.062 67 R HA 0.023 4.363 4.340 0.000 0.000 0.229 67 R C 2.047 178.362 176.300 0.025 0.000 1.128 67 R CA 0.663 56.783 56.100 0.033 0.000 0.960 67 R CB -0.366 29.966 30.300 0.054 0.000 0.855 67 R HN 0.087 nan 8.270 nan 0.000 0.432 68 I N 1.333 121.912 120.570 0.016 0.000 2.286 68 I HA -0.208 3.962 4.170 0.000 0.000 0.248 68 I C 1.840 178.021 176.117 0.105 0.000 1.115 68 I CA 1.413 62.747 61.300 0.055 0.000 1.392 68 I CB -0.070 37.973 38.000 0.071 0.000 1.065 68 I HN 0.095 nan 8.210 nan 0.000 0.418 69 L N 0.145 121.414 121.223 0.075 0.000 2.046 69 L HA -0.172 4.168 4.340 0.000 0.000 0.208 69 L C 2.747 179.661 176.870 0.073 0.000 1.077 69 L CA 1.307 56.209 54.840 0.103 0.000 0.747 69 L CB -0.854 41.223 42.059 0.030 0.000 0.896 69 L HN 0.261 nan 8.230 nan 0.000 0.432 70 R N 0.771 121.295 120.500 0.039 0.000 2.066 70 R HA -0.177 4.163 4.340 0.000 0.000 0.232 70 R C 2.316 178.622 176.300 0.011 0.000 1.131 70 R CA 1.631 57.746 56.100 0.025 0.000 0.955 70 R CB -0.656 29.657 30.300 0.022 0.000 0.851 70 R HN 0.244 nan 8.270 nan 0.000 0.432 71 L N 1.239 122.465 121.223 0.005 0.000 2.012 71 L HA -0.103 4.237 4.340 0.000 0.000 0.210 71 L C 2.425 179.259 176.870 -0.059 0.000 1.073 71 L CA 2.439 57.266 54.840 -0.022 0.000 0.748 71 L CB -0.862 41.183 42.059 -0.023 0.000 0.891 71 L HN 0.257 nan 8.230 nan 0.000 0.431 72 A N -0.859 121.915 122.820 -0.078 0.000 1.930 72 A HA -0.239 4.081 4.320 0.000 0.000 0.217 72 A C 2.452 179.981 177.584 -0.092 0.000 1.175 72 A CA 1.848 53.771 52.037 -0.191 0.000 0.627 72 A CB -0.606 18.168 19.000 -0.376 0.000 0.815 72 A HN 0.519 nan 8.150 nan 0.000 0.443 73 K N -0.245 120.151 120.400 -0.007 0.000 2.026 73 K HA -0.208 4.112 4.320 0.000 0.000 0.208 73 K C 2.079 178.671 176.600 -0.013 0.000 1.048 73 K CA 1.690 57.983 56.287 0.009 0.000 0.929 73 K CB -0.202 32.315 32.500 0.028 0.000 0.713 73 K HN 0.605 nan 8.250 nan 0.000 0.439 74 E N 0.490 120.680 120.200 -0.017 0.000 2.160 74 E HA -0.181 4.169 4.350 0.000 0.000 0.195 74 E C 1.706 178.287 176.600 -0.031 0.000 0.991 74 E CA 0.925 57.315 56.400 -0.018 0.000 0.810 74 E CB 0.008 29.700 29.700 -0.014 0.000 0.742 74 E HN 0.356 nan 8.360 nan 0.000 0.466 75 L N -0.720 120.470 121.223 -0.055 0.000 2.610 75 L HA 0.116 4.456 4.340 0.000 0.000 0.232 75 L C 1.421 178.251 176.870 -0.067 0.000 1.149 75 L CA 0.510 55.308 54.840 -0.070 0.000 0.872 75 L CB 0.147 42.142 42.059 -0.107 0.000 0.992 75 L HN 0.399 nan 8.230 nan 0.000 0.447 76 G N 0.118 108.887 108.800 -0.051 0.000 2.141 76 G HA2 -0.232 3.728 3.960 0.000 0.000 0.231 76 G HA3 -0.232 3.728 3.960 0.000 0.000 0.231 76 G C 0.075 174.951 174.900 -0.040 0.000 0.984 76 G CA -0.344 44.733 45.100 -0.038 0.000 0.660 76 G HN 0.194 nan 8.290 nan 0.000 0.525 77 L N 0.084 121.271 121.223 -0.060 0.000 2.379 77 L HA 0.716 5.056 4.340 0.000 0.000 0.269 77 L C 0.595 177.501 176.870 0.060 0.000 1.084 77 L CA -0.722 54.089 54.840 -0.048 0.000 0.802 77 L CB 1.093 43.029 42.059 -0.204 0.000 1.175 77 L HN 0.162 nan 8.230 nan 0.000 0.448 78 E N 0.071 120.345 120.200 0.124 0.000 2.277 78 E HA 0.453 4.803 4.350 0.000 0.000 0.266 78 E C -0.869 175.884 176.600 0.255 0.000 0.901 78 E CA -0.682 55.814 56.400 0.161 0.000 0.782 78 E CB 2.459 32.226 29.700 0.112 0.000 1.228 78 E HN 0.667 nan 8.360 nan 0.000 0.424 79 T N -1.204 113.452 114.554 0.171 0.000 2.948 79 T HA 0.632 4.982 4.350 0.000 0.000 0.285 79 T C -0.754 174.027 174.700 0.136 0.000 1.019 79 T CA -0.636 61.499 62.100 0.059 0.000 1.013 79 T CB 0.741 69.526 68.868 -0.138 0.000 1.117 79 T HN 0.530 nan 8.240 nan 0.000 0.533 80 Y N -1.608 118.685 120.300 -0.013 0.000 2.588 80 Y HA 0.723 5.273 4.550 0.000 0.000 0.343 80 Y C -0.932 174.966 175.900 -0.003 0.000 1.065 80 Y CA -1.510 56.596 58.100 0.009 0.000 1.038 80 Y CB 1.332 39.817 38.460 0.043 0.000 1.297 80 Y HN 0.662 nan 8.280 nan 0.000 0.467 81 K N 2.329 122.793 120.400 0.107 0.000 2.234 81 K HA 0.462 4.782 4.320 0.000 0.000 0.282 81 K C -0.781 175.864 176.600 0.074 0.000 1.039 81 K CA -0.817 55.476 56.287 0.010 0.000 0.928 81 K CB 1.716 34.242 32.500 0.043 0.000 1.039 81 K HN 0.577 nan 8.250 nan 0.000 0.470 82 V N 3.151 123.051 119.914 -0.022 0.000 2.763 82 V HA -0.108 4.012 4.120 0.000 0.000 0.306 82 V C 0.565 176.704 176.094 0.074 0.000 1.059 82 V CA -0.148 62.187 62.300 0.059 0.000 1.138 82 V CB 0.375 32.214 31.823 0.026 0.000 0.940 82 V HN 0.730 nan 8.190 nan 0.000 0.489 83 N N 3.631 122.397 118.700 0.110 0.000 2.434 83 N HA 0.023 4.763 4.740 0.000 0.000 0.268 83 N C 0.238 175.767 175.510 0.032 0.000 1.256 83 N CA 0.510 53.610 53.050 0.085 0.000 0.914 83 N CB 0.255 38.816 38.487 0.124 0.000 1.088 83 N HN 0.819 nan 8.380 nan 0.000 0.478 84 E N 2.891 123.100 120.200 0.015 0.000 3.191 84 E HA 0.118 4.468 4.350 0.000 0.000 0.192 84 E C 0.284 176.878 176.600 -0.010 0.000 0.972 84 E CA -0.067 56.323 56.400 -0.017 0.000 1.266 84 E CB 0.240 29.916 29.700 -0.039 0.000 1.076 84 E HN 0.434 nan 8.360 nan 0.000 0.462 85 V N 0.484 120.404 119.914 0.011 0.000 2.323 85 V HA -0.146 3.974 4.120 0.000 0.000 0.244 85 V C 0.934 177.030 176.094 0.004 0.000 1.041 85 V CA 1.588 63.893 62.300 0.008 0.000 1.025 85 V CB -0.113 31.718 31.823 0.013 0.000 0.656 85 V HN 0.259 nan 8.190 nan 0.000 0.451 86 E N -0.715 119.494 120.200 0.015 0.000 3.099 86 E HA 0.400 4.750 4.350 0.000 0.000 0.259 86 E C 0.192 176.798 176.600 0.009 0.000 1.274 86 E CA -0.646 55.766 56.400 0.021 0.000 1.111 86 E CB 0.254 29.980 29.700 0.043 0.000 1.327 86 E HN 0.292 nan 8.360 nan 0.000 0.652 87 R N 0.215 120.743 120.500 0.046 0.000 2.490 87 R HA 0.279 4.619 4.340 0.000 0.000 0.280 87 R C -0.491 175.769 176.300 -0.066 0.000 1.077 87 R CA -0.570 55.535 56.100 0.008 0.000 1.065 87 R CB 0.141 30.511 30.300 0.117 0.000 1.003 87 R HN 0.175 nan 8.270 nan 0.000 0.470 88 L N 2.648 123.656 121.223 -0.358 0.000 2.456 88 L HA 0.358 4.698 4.340 0.000 0.000 0.257 88 L C 0.201 176.869 176.870 -0.337 0.000 1.162 88 L CA 0.245 54.774 54.840 -0.518 0.000 0.808 88 L CB 0.495 41.903 42.059 -1.084 0.000 1.136 88 L HN 0.463 nan 8.230 nan 0.000 0.466 89 I N 0.521 121.040 120.570 -0.085 0.000 2.465 89 I HA 0.269 4.439 4.170 0.000 0.000 0.291 89 I C -0.554 175.871 176.117 0.515 0.000 1.014 89 I CA -0.501 60.902 61.300 0.172 0.000 1.093 89 I CB 1.519 39.461 38.000 -0.096 0.000 1.267 89 I HN 0.540 nan 8.210 nan 0.000 0.431 90 H N 5.552 124.952 119.070 0.550 0.000 2.541 90 H HA 0.311 4.867 4.556 0.000 0.000 0.316 90 H C -1.325 174.242 175.328 0.398 0.000 1.043 90 H CA -0.700 55.601 56.048 0.421 0.000 1.232 90 H CB 0.899 30.805 29.762 0.240 0.000 1.406 90 H HN 0.620 nan 8.280 nan 0.000 0.469 91 H N 4.533 123.684 119.070 0.134 0.000 2.556 91 H HA 0.398 4.954 4.556 0.000 0.000 0.310 91 H C -1.416 173.874 175.328 -0.063 0.000 1.057 91 H CA -0.424 55.651 56.048 0.045 0.000 1.264 91 H CB 0.860 30.664 29.762 0.069 0.000 1.404 91 H HN 0.347 nan 8.280 nan 0.000 0.462 92 V N 5.888 125.632 119.914 -0.283 0.000 2.808 92 V HA 0.261 4.381 4.120 0.000 0.000 0.308 92 V C -0.703 175.316 176.094 -0.125 0.000 1.099 92 V CA -0.881 61.305 62.300 -0.190 0.000 0.920 92 V CB 1.483 33.131 31.823 -0.292 0.000 1.014 92 V HN 1.051 nan 8.190 nan 0.000 0.425 93 K N 4.759 125.123 120.400 -0.061 0.000 3.077 93 K HA -0.216 4.104 4.320 0.000 0.000 0.264 93 K C 0.946 177.504 176.600 -0.069 0.000 1.008 93 K CA 0.932 57.203 56.287 -0.026 0.000 0.740 93 K CB -1.662 30.843 32.500 0.009 0.000 1.273 93 K HN 2.009 nan 8.250 nan 0.000 0.477 94 G N -0.285 108.423 108.800 -0.153 0.000 2.162 94 G HA2 -0.338 3.622 3.960 0.000 0.000 0.260 94 G HA3 -0.338 3.622 3.960 0.000 0.000 0.260 94 G C -0.108 174.630 174.900 -0.271 0.000 0.976 94 G CA 1.009 46.052 45.100 -0.095 0.000 0.655 94 G HN 0.391 nan 8.290 nan 0.000 0.533 95 K N 0.017 120.095 120.400 -0.536 0.000 2.375 95 K HA 0.637 4.957 4.320 0.000 0.000 0.249 95 K C -0.655 175.608 176.600 -0.561 0.000 0.942 95 K CA -0.633 55.397 56.287 -0.428 0.000 0.806 95 K CB 2.009 34.314 32.500 -0.324 0.000 1.227 95 K HN 0.066 nan 8.250 nan 0.000 0.430 96 S N 1.393 116.889 115.700 -0.341 0.000 2.489 96 S HA 0.420 4.890 4.470 0.000 0.000 0.291 96 S C -1.268 173.108 174.600 -0.373 0.000 1.151 96 S CA -0.552 57.568 58.200 -0.133 0.000 1.082 96 S CB 0.248 63.485 63.200 0.062 0.000 1.019 96 S HN 0.362 nan 8.310 nan 0.000 0.492 97 Y N 2.414 122.806 120.300 0.154 0.000 2.426 97 Y HA 0.359 4.909 4.550 0.000 0.000 0.325 97 Y C -2.500 173.610 175.900 0.350 0.000 0.989 97 Y CA -2.347 55.885 58.100 0.220 0.000 1.284 97 Y CB 0.887 39.466 38.460 0.198 0.000 1.104 97 Y HN 0.450 nan 8.280 nan 0.000 0.481 98 P HA 0.283 nan 4.420 nan 0.000 0.272 98 P C -0.815 176.789 177.300 0.506 0.000 1.223 98 P CA -0.019 63.324 63.100 0.405 0.000 0.784 98 P CB 0.698 32.621 31.700 0.371 0.000 0.923 99 F N -1.280 118.795 119.950 0.209 0.000 2.817 99 F HA 0.711 5.238 4.527 0.000 0.000 0.317 99 F C -1.233 174.644 175.800 0.129 0.000 1.168 99 F CA -1.282 56.823 58.000 0.175 0.000 0.911 99 F CB 1.379 40.484 39.000 0.175 0.000 1.337 99 F HN 0.057 nan 8.300 nan 0.000 0.464 100 R N 0.664 121.283 120.500 0.198 0.000 2.837 100 R HA 0.769 5.109 4.340 0.000 0.000 0.271 100 R C -0.491 175.934 176.300 0.209 0.000 0.993 100 R CA -0.754 55.375 56.100 0.048 0.000 0.931 100 R CB 1.904 32.241 30.300 0.061 0.000 1.206 100 R HN 1.536 nan 8.270 nan 0.000 0.474 101 G N 1.363 110.225 108.800 0.103 0.000 2.712 101 G HA2 -0.159 3.801 3.960 0.000 0.000 0.683 101 G HA3 -0.159 3.801 3.960 0.000 0.000 0.683 101 G C -2.125 172.870 174.900 0.158 0.000 1.320 101 G CA -0.768 44.413 45.100 0.134 0.000 0.847 101 G HN 0.450 nan 8.290 nan 0.000 0.553 102 P HA 0.132 nan 4.420 nan 0.000 0.220 102 P C 0.535 177.683 177.300 -0.254 0.000 1.152 102 P CA 1.007 64.003 63.100 -0.173 0.000 0.812 102 P CB 0.112 31.553 31.700 -0.431 0.000 0.792 103 F N 1.142 121.076 119.950 -0.026 0.000 2.420 103 F HA 0.418 4.945 4.527 0.000 0.000 0.342 103 F C -1.992 173.608 175.800 -0.333 0.000 1.113 103 F CA -2.993 54.882 58.000 -0.207 0.000 1.059 103 F CB 0.346 39.134 39.000 -0.353 0.000 1.128 103 F HN -0.275 nan 8.300 nan 0.000 0.475 104 P HA 0.075 nan 4.420 nan 0.000 0.267 104 P C -2.403 174.609 177.300 -0.479 0.000 1.209 104 P CA -0.823 61.603 63.100 -1.124 0.000 0.763 104 P CB -0.164 30.942 31.700 -0.989 0.000 0.816 105 P HA 0.122 nan 4.420 nan 0.000 0.274 105 P C -0.943 176.194 177.300 -0.272 0.000 1.231 105 P CA 0.043 62.992 63.100 -0.252 0.000 0.790 105 P CB 0.752 32.337 31.700 -0.193 0.000 0.951 106 V N 2.178 121.904 119.914 -0.314 0.000 2.577 106 V HA 0.199 4.319 4.120 0.000 0.000 0.303 106 V C 0.209 176.160 176.094 -0.238 0.000 1.042 106 V CA -0.220 61.927 62.300 -0.256 0.000 0.872 106 V CB 1.671 33.270 31.823 -0.373 0.000 0.998 106 V HN 0.680 nan 8.190 nan 0.000 0.423 107 W N 1.099 122.377 121.300 -0.038 0.000 2.640 107 W HA 0.176 4.836 4.660 0.000 0.000 0.271 107 W C 1.431 177.940 176.519 -0.017 0.000 1.218 107 W CA 0.013 57.341 57.345 -0.028 0.000 1.382 107 W CB 0.266 29.707 29.460 -0.031 0.000 1.067 107 W HN 0.543 nan 8.180 nan 0.000 0.590 108 N N 2.058 120.881 118.700 0.205 0.000 2.434 108 N HA -0.039 4.701 4.740 0.000 0.000 0.268 108 N C -1.799 173.786 175.510 0.125 0.000 1.256 108 N CA -0.570 52.562 53.050 0.137 0.000 0.914 108 N CB 1.243 39.790 38.487 0.100 0.000 1.088 108 N HN -0.126 nan 8.380 nan 0.000 0.478 109 P HA -0.151 nan 4.420 nan 0.000 0.215 109 P C 1.611 178.986 177.300 0.125 0.000 1.157 109 P CA 0.888 64.045 63.100 0.094 0.000 0.874 109 P CB 0.301 32.034 31.700 0.055 0.000 0.790 110 I N -0.804 119.823 120.570 0.095 0.000 2.179 110 I HA -0.182 3.988 4.170 0.000 0.000 0.242 110 I C 1.974 178.155 176.117 0.107 0.000 1.088 110 I CA 1.970 63.320 61.300 0.083 0.000 1.357 110 I CB -1.950 36.092 38.000 0.071 0.000 1.051 110 I HN 0.034 nan 8.210 nan 0.000 0.409 111 T N 0.201 114.827 114.554 0.121 0.000 2.788 111 T HA -0.231 4.119 4.350 0.000 0.000 0.268 111 T C 1.859 176.649 174.700 0.149 0.000 1.044 111 T CA 1.271 63.460 62.100 0.148 0.000 1.139 111 T CB -0.578 68.356 68.868 0.109 0.000 0.867 111 T HN 0.316 nan 8.240 nan 0.000 0.454 112 Y N 1.864 122.159 120.300 -0.009 0.000 2.128 112 Y HA -0.110 4.440 4.550 0.000 0.000 0.284 112 Y C 2.013 177.921 175.900 0.014 0.000 1.154 112 Y CA 1.166 59.238 58.100 -0.046 0.000 1.149 112 Y CB -0.487 37.921 38.460 -0.085 0.000 0.976 112 Y HN 0.105 nan 8.280 nan 0.000 0.505 113 L N -0.131 121.158 121.223 0.110 0.000 2.042 113 L HA -0.243 4.097 4.340 0.000 0.000 0.210 113 L C 2.182 179.021 176.870 -0.051 0.000 1.076 113 L CA 1.844 56.692 54.840 0.013 0.000 0.749 113 L CB -0.649 41.432 42.059 0.037 0.000 0.893 113 L HN 0.245 nan 8.230 nan 0.000 0.432 114 D N -0.985 119.423 120.400 0.012 0.000 2.097 114 D HA -0.188 4.452 4.640 0.000 0.000 0.197 114 D C 2.187 178.481 176.300 -0.010 0.000 0.984 114 D CA 1.210 55.222 54.000 0.020 0.000 0.826 114 D CB 0.051 40.900 40.800 0.081 0.000 0.973 114 D HN 0.302 nan 8.370 nan 0.000 0.460 115 H N -0.211 118.788 119.070 -0.118 0.000 2.321 115 H HA -0.116 4.440 4.556 0.000 0.000 0.300 115 H C 2.143 177.411 175.328 -0.100 0.000 1.087 115 H CA 1.208 57.192 56.048 -0.106 0.000 1.319 115 H CB -0.175 29.538 29.762 -0.082 0.000 1.379 115 H HN 0.288 nan 8.280 nan 0.000 0.501 116 N N 1.108 119.710 118.700 -0.163 0.000 2.104 116 N HA -0.181 4.559 4.740 0.000 0.000 0.190 116 N C 1.812 177.238 175.510 -0.139 0.000 1.024 116 N CA 0.935 53.838 53.050 -0.246 0.000 0.853 116 N CB -0.201 38.024 38.487 -0.436 0.000 1.008 116 N HN 0.411 nan 8.380 nan 0.000 0.424 117 N N -0.125 118.504 118.700 -0.118 0.000 2.188 117 N HA -0.169 4.571 4.740 0.000 0.000 0.184 117 N C 1.888 177.330 175.510 -0.113 0.000 1.018 117 N CA 0.603 53.590 53.050 -0.106 0.000 0.858 117 N CB -0.262 38.175 38.487 -0.084 0.000 0.989 117 N HN 0.224 nan 8.380 nan 0.000 0.426 118 F N 0.833 120.623 119.950 -0.267 0.000 2.046 118 F HA -0.141 4.386 4.527 0.000 0.000 0.297 118 F C 1.728 177.302 175.800 -0.376 0.000 1.123 118 F CA 1.718 59.481 58.000 -0.395 0.000 1.199 118 F CB -0.933 37.677 39.000 -0.650 0.000 0.972 118 F HN 0.065 nan 8.300 nan 0.000 0.474 119 W N 0.572 121.538 121.300 -0.556 0.000 2.358 119 W HA -0.073 4.587 4.660 0.000 0.000 0.303 119 W C 2.836 179.066 176.519 -0.481 0.000 1.208 119 W CA 1.410 58.364 57.345 -0.652 0.000 1.274 119 W CB -0.701 28.477 29.460 -0.471 0.000 1.138 119 W HN -0.064 nan 8.180 nan 0.000 0.515 120 R N 0.153 120.560 120.500 -0.154 0.000 2.083 120 R HA -0.167 4.173 4.340 0.000 0.000 0.237 120 R C 1.936 178.123 176.300 -0.188 0.000 1.137 120 R CA 2.289 58.291 56.100 -0.164 0.000 0.951 120 R CB -0.690 29.514 30.300 -0.160 0.000 0.851 120 R HN 0.046 nan 8.270 nan 0.000 0.434 121 T N 1.133 115.551 114.554 -0.227 0.000 2.821 121 T HA -0.103 4.247 4.350 0.000 0.000 0.267 121 T C 1.815 176.362 174.700 -0.255 0.000 1.046 121 T CA 1.228 63.203 62.100 -0.209 0.000 1.139 121 T CB -0.041 68.721 68.868 -0.176 0.000 0.871 121 T HN 0.155 nan 8.240 nan 0.000 0.454 122 M N 1.709 121.087 119.600 -0.371 0.000 2.082 122 M HA -0.114 4.366 4.480 0.000 0.000 0.258 122 M C 1.824 178.008 176.300 -0.193 0.000 1.069 122 M CA 1.556 56.671 55.300 -0.310 0.000 1.102 122 M CB -1.100 31.266 32.600 -0.390 0.000 1.336 122 M HN 0.191 nan 8.290 nan 0.000 0.404 123 D N 0.253 120.552 120.400 -0.168 0.000 2.149 123 D HA -0.112 4.528 4.640 0.000 0.000 0.201 123 D C 1.607 177.843 176.300 -0.106 0.000 0.972 123 D CA 0.932 54.857 54.000 -0.125 0.000 0.835 123 D CB -0.287 40.447 40.800 -0.109 0.000 0.966 123 D HN 0.288 nan 8.370 nan 0.000 0.476 124 D N 0.487 120.822 120.400 -0.109 0.000 2.092 124 D HA -0.126 4.514 4.640 0.000 0.000 0.193 124 D C 2.208 178.494 176.300 -0.024 0.000 0.994 124 D CA 0.863 54.822 54.000 -0.069 0.000 0.828 124 D CB -0.245 40.512 40.800 -0.072 0.000 0.963 124 D HN 0.238 nan 8.370 nan 0.000 0.450 125 M N 0.166 119.722 119.600 -0.074 0.000 2.117 125 M HA -0.044 4.436 4.480 0.000 0.000 0.262 125 M C 2.361 178.699 176.300 0.062 0.000 1.065 125 M CA 1.589 56.854 55.300 -0.057 0.000 1.114 125 M CB -0.488 31.819 32.600 -0.488 0.000 1.361 125 M HN 0.031 nan 8.290 nan 0.000 0.408 126 G N 0.401 109.180 108.800 -0.035 0.000 2.469 126 G HA2 -0.233 3.727 3.960 0.000 0.000 0.219 126 G HA3 -0.233 3.727 3.960 0.000 0.000 0.219 126 G C 1.627 176.527 174.900 0.000 0.000 1.150 126 G CA 0.760 45.844 45.100 -0.026 0.000 0.763 126 G HN 0.408 nan 8.290 nan 0.000 0.561 127 R N 0.177 120.671 120.500 -0.010 0.000 2.241 127 R HA -0.011 4.329 4.340 0.000 0.000 0.224 127 R C 1.978 178.286 176.300 0.013 0.000 1.101 127 R CA 0.832 56.920 56.100 -0.019 0.000 0.995 127 R CB 0.014 30.295 30.300 -0.032 0.000 0.870 127 R HN 0.312 nan 8.270 nan 0.000 0.463 128 E N 0.289 120.541 120.200 0.085 0.000 2.427 128 E HA 0.013 4.363 4.350 0.000 0.000 0.196 128 E C 0.268 176.894 176.600 0.044 0.000 1.028 128 E CA 0.564 57.012 56.400 0.081 0.000 0.864 128 E CB 0.272 30.081 29.700 0.180 0.000 0.813 128 E HN 0.344 nan 8.360 nan 0.000 0.514 129 I N 2.807 123.420 120.570 0.072 0.000 2.328 129 I HA 0.195 4.365 4.170 0.000 0.000 0.287 129 I C -2.417 173.698 176.117 -0.004 0.000 1.012 129 I CA -2.392 58.943 61.300 0.059 0.000 1.195 129 I CB 1.453 39.558 38.000 0.174 0.000 1.350 129 I HN -0.334 nan 8.210 nan 0.000 0.464 130 P HA 0.129 nan 4.420 nan 0.000 0.271 130 P C 0.485 177.750 177.300 -0.059 0.000 1.220 130 P CA 0.089 63.116 63.100 -0.122 0.000 0.768 130 P CB 0.935 32.507 31.700 -0.214 0.000 0.848 131 S N 2.027 117.708 115.700 -0.031 0.000 2.383 131 S HA -0.172 4.298 4.470 0.000 0.000 0.229 131 S C 1.197 175.892 174.600 0.158 0.000 1.030 131 S CA 1.859 60.117 58.200 0.097 0.000 1.002 131 S CB -0.611 62.555 63.200 -0.057 0.000 0.829 131 S HN 0.678 nan 8.310 nan 0.000 0.467 132 D N 0.318 120.663 120.400 -0.090 0.000 2.339 132 D HA 0.323 4.963 4.640 0.000 0.000 0.217 132 D C 0.266 176.334 176.300 -0.387 0.000 1.050 132 D CA 0.304 54.204 54.000 -0.166 0.000 0.856 132 D CB 0.087 40.725 40.800 -0.270 0.000 0.922 132 D HN 0.275 nan 8.370 nan 0.000 0.518 133 A N 1.081 123.505 122.820 -0.658 0.000 3.330 133 A HA 0.339 4.659 4.320 0.000 0.000 0.256 133 A C -2.148 174.624 177.584 -1.353 0.000 1.185 133 A CA -0.749 50.386 52.037 -1.504 0.000 0.940 133 A CB 0.759 19.162 19.000 -0.995 0.000 1.397 133 A HN -0.098 nan 8.150 nan 0.000 0.678 134 P HA -0.184 nan 4.420 nan 0.000 0.219 134 P C 1.306 178.411 177.300 -0.326 0.000 1.146 134 P CA 1.576 64.382 63.100 -0.491 0.000 0.808 134 P CB -0.342 31.052 31.700 -0.511 0.000 0.779 135 W N 1.158 122.382 121.300 -0.128 0.000 2.538 135 W HA 0.059 4.719 4.660 0.000 0.000 0.254 135 W C 1.296 177.765 176.519 -0.083 0.000 1.249 135 W CA 0.489 57.778 57.345 -0.094 0.000 1.253 135 W CB -1.508 27.892 29.460 -0.099 0.000 1.130 135 W HN -0.097 nan 8.180 nan 0.000 0.618 136 K N 0.838 121.025 120.400 -0.356 0.000 2.444 136 K HA 0.307 4.627 4.320 0.000 0.000 0.193 136 K C 1.052 177.552 176.600 -0.166 0.000 1.024 136 K CA 0.224 56.392 56.287 -0.198 0.000 1.077 136 K CB -0.080 32.264 32.500 -0.261 0.000 0.833 136 K HN 0.109 nan 8.250 nan 0.000 0.517 137 A N 2.372 125.090 122.820 -0.170 0.000 2.531 137 A HA 0.080 4.400 4.320 0.000 0.000 0.236 137 A C -1.608 175.834 177.584 -0.236 0.000 1.062 137 A CA -0.966 50.960 52.037 -0.184 0.000 0.760 137 A CB 0.089 18.989 19.000 -0.168 0.000 0.995 137 A HN -0.018 nan 8.150 nan 0.000 0.501 138 P HA -0.113 nan 4.420 nan 0.000 0.216 138 P C 0.497 177.601 177.300 -0.328 0.000 1.150 138 P CA 1.215 64.171 63.100 -0.240 0.000 0.843 138 P CB 0.061 31.638 31.700 -0.205 0.000 0.787 139 L N -2.157 118.707 121.223 -0.598 0.000 2.984 139 L HA 0.350 4.690 4.340 0.000 0.000 0.246 139 L C 1.815 178.260 176.870 -0.708 0.000 1.268 139 L CA -0.322 54.074 54.840 -0.739 0.000 1.054 139 L CB -0.439 40.948 42.059 -1.121 0.000 1.393 139 L HN -0.103 nan 8.230 nan 0.000 0.532 140 A N 0.462 123.051 122.820 -0.384 0.000 1.892 140 A HA -0.222 4.098 4.320 0.000 0.000 0.218 140 A C 2.180 179.753 177.584 -0.019 0.000 1.188 140 A CA 1.758 53.713 52.037 -0.138 0.000 0.631 140 A CB -0.161 18.817 19.000 -0.036 0.000 0.822 140 A HN 0.510 nan 8.150 nan 0.000 0.447 141 E N -0.907 119.269 120.200 -0.039 0.000 2.031 141 E HA -0.230 4.120 4.350 0.000 0.000 0.193 141 E C 2.141 178.775 176.600 0.057 0.000 0.994 141 E CA 1.229 57.641 56.400 0.020 0.000 0.800 141 E CB -0.256 29.444 29.700 -0.001 0.000 0.752 141 E HN 0.815 nan 8.360 nan 0.000 0.447 142 E N 0.079 120.287 120.200 0.014 0.000 2.070 142 E HA -0.207 4.143 4.350 0.000 0.000 0.197 142 E C 1.774 178.548 176.600 0.291 0.000 1.004 142 E CA 1.257 57.720 56.400 0.105 0.000 0.805 142 E CB -0.003 29.731 29.700 0.057 0.000 0.744 142 E HN 0.294 nan 8.360 nan 0.000 0.451 143 W N 0.861 122.204 121.300 0.071 0.000 2.436 143 W HA -0.026 4.634 4.660 0.000 0.000 0.284 143 W C 1.947 178.537 176.519 0.118 0.000 1.225 143 W CA 0.616 58.016 57.345 0.091 0.000 1.271 143 W CB -1.039 28.476 29.460 0.091 0.000 1.114 143 W HN 0.200 nan 8.180 nan 0.000 0.559 144 D N -0.209 120.392 120.400 0.334 0.000 2.269 144 D HA -0.127 4.513 4.640 0.000 0.000 0.208 144 D C 1.256 177.683 176.300 0.212 0.000 0.963 144 D CA 0.947 55.105 54.000 0.263 0.000 0.864 144 D CB -0.212 40.716 40.800 0.213 0.000 0.936 144 D HN -0.093 nan 8.370 nan 0.000 0.505 145 N N -0.542 118.269 118.700 0.184 0.000 2.322 145 N HA 0.107 4.847 4.740 0.000 0.000 0.194 145 N C -0.348 175.242 175.510 0.134 0.000 1.126 145 N CA 0.247 53.382 53.050 0.141 0.000 0.845 145 N CB 0.165 38.718 38.487 0.109 0.000 0.976 145 N HN 0.358 nan 8.380 nan 0.000 0.475 146 M N -0.907 118.788 119.600 0.158 0.000 2.602 146 M HA 0.374 4.854 4.480 0.000 0.000 0.312 146 M C 0.364 176.744 176.300 0.132 0.000 1.181 146 M CA -0.967 54.409 55.300 0.127 0.000 0.910 146 M CB 1.787 34.456 32.600 0.116 0.000 1.723 146 M HN -0.147 nan 8.290 nan 0.000 0.459 147 T N -1.551 113.062 114.554 0.100 0.000 2.816 147 T HA 0.305 4.655 4.350 0.000 0.000 0.282 147 T C 1.057 175.793 174.700 0.060 0.000 0.993 147 T CA -0.807 61.348 62.100 0.092 0.000 0.994 147 T CB 0.772 69.684 68.868 0.074 0.000 1.025 147 T HN 0.665 nan 8.240 nan 0.000 0.529 148 M N 0.230 119.847 119.600 0.027 0.000 2.213 148 M HA -0.017 4.463 4.480 0.000 0.000 0.263 148 M C 2.220 178.484 176.300 -0.060 0.000 1.062 148 M CA 1.513 56.789 55.300 -0.041 0.000 1.105 148 M CB -1.288 31.203 32.600 -0.182 0.000 1.385 148 M HN 0.855 nan 8.290 nan 0.000 0.417 149 K N 0.685 121.057 120.400 -0.046 0.000 2.032 149 K HA -0.207 4.113 4.320 0.000 0.000 0.209 149 K C 1.688 178.269 176.600 -0.032 0.000 1.048 149 K CA 1.757 58.023 56.287 -0.036 0.000 0.927 149 K CB -0.017 32.494 32.500 0.018 0.000 0.712 149 K HN 0.403 nan 8.250 nan 0.000 0.441 150 E N 0.541 120.737 120.200 -0.007 0.000 2.085 150 E HA -0.222 4.128 4.350 0.000 0.000 0.194 150 E C 2.044 178.633 176.600 -0.018 0.000 0.994 150 E CA 1.158 57.553 56.400 -0.008 0.000 0.801 150 E CB -0.146 29.565 29.700 0.019 0.000 0.743 150 E HN 0.200 nan 8.360 nan 0.000 0.453 151 L N 1.054 122.269 121.223 -0.014 0.000 2.046 151 L HA -0.149 4.191 4.340 0.000 0.000 0.208 151 L C 2.041 178.894 176.870 -0.028 0.000 1.077 151 L CA 1.513 56.338 54.840 -0.024 0.000 0.747 151 L CB -0.291 41.748 42.059 -0.034 0.000 0.896 151 L HN 0.113 nan 8.230 nan 0.000 0.432 152 L N -0.790 120.405 121.223 -0.047 0.000 2.083 152 L HA -0.202 4.138 4.340 0.000 0.000 0.209 152 L C 2.224 179.028 176.870 -0.111 0.000 1.083 152 L CA 1.231 56.017 54.840 -0.091 0.000 0.752 152 L CB -0.950 41.018 42.059 -0.152 0.000 0.899 152 L HN 0.272 nan 8.230 nan 0.000 0.433 153 D N 0.434 120.774 120.400 -0.100 0.000 2.149 153 D HA -0.166 4.474 4.640 0.000 0.000 0.198 153 D C 2.198 178.411 176.300 -0.145 0.000 0.990 153 D CA 1.253 55.180 54.000 -0.123 0.000 0.839 153 D CB -0.003 40.738 40.800 -0.098 0.000 0.948 153 D HN 0.313 nan 8.370 nan 0.000 0.460 154 K N -0.302 120.043 120.400 -0.091 0.000 2.076 154 K HA -0.041 4.280 4.320 0.000 0.000 0.204 154 K C 1.923 178.513 176.600 -0.017 0.000 1.051 154 K CA 0.345 56.592 56.287 -0.067 0.000 0.949 154 K CB 0.040 32.534 32.500 -0.009 0.000 0.726 154 K HN 0.037 nan 8.250 nan 0.000 0.443 155 L N 0.535 121.768 121.223 0.016 0.000 2.249 155 L HA 0.081 4.421 4.340 0.000 0.000 0.207 155 L C 0.099 177.071 176.870 0.170 0.000 1.090 155 L CA 0.988 55.895 54.840 0.112 0.000 0.802 155 L CB 0.305 42.416 42.059 0.087 0.000 0.947 155 L HN 0.014 nan 8.230 nan 0.000 0.453 156 C N 0.190 119.499 119.300 0.014 0.000 2.281 156 C HA 0.187 4.647 4.460 0.000 0.000 0.336 156 C C 0.675 175.671 174.990 0.009 0.000 1.217 156 C CA -0.712 58.296 59.018 -0.015 0.000 1.730 156 C CB -1.211 26.407 27.740 -0.203 0.000 2.338 156 C HN 0.622 nan 8.230 nan 0.000 0.521 157 W N 1.912 123.163 121.300 -0.081 0.000 3.290 157 W HA 0.142 4.802 4.660 0.000 0.000 0.287 157 W C 1.377 177.870 176.519 -0.042 0.000 1.288 157 W CA 0.074 57.389 57.345 -0.050 0.000 1.725 157 W CB -0.102 29.341 29.460 -0.030 0.000 1.103 157 W HN 0.679 nan 8.180 nan 0.000 0.670 158 T N -3.746 110.874 114.554 0.110 0.000 2.887 158 T HA 0.291 4.641 4.350 0.000 0.000 0.288 158 T C 0.851 175.540 174.700 -0.018 0.000 1.021 158 T CA -0.637 61.498 62.100 0.058 0.000 1.000 158 T CB 2.602 71.526 68.868 0.094 0.000 1.034 158 T HN -0.226 nan 8.240 nan 0.000 0.467 159 E N 1.189 121.383 120.200 -0.011 0.000 2.118 159 E HA -0.130 4.220 4.350 0.000 0.000 0.195 159 E C 2.124 178.707 176.600 -0.027 0.000 0.992 159 E CA 1.406 57.787 56.400 -0.032 0.000 0.804 159 E CB -0.412 29.280 29.700 -0.013 0.000 0.741 159 E HN 0.747 nan 8.360 nan 0.000 0.458 160 S N 0.383 116.101 115.700 0.031 0.000 2.359 160 S HA -0.184 4.286 4.470 0.000 0.000 0.224 160 S C 2.058 176.658 174.600 -0.000 0.000 1.035 160 S CA 1.598 59.863 58.200 0.108 0.000 1.018 160 S CB -0.082 63.258 63.200 0.234 0.000 0.876 160 S HN 0.308 nan 8.310 nan 0.000 0.448 161 A N 1.411 124.101 122.820 -0.216 0.000 1.873 161 A HA -0.046 4.274 4.320 0.000 0.000 0.215 161 A C 2.160 179.380 177.584 -0.606 0.000 1.186 161 A CA 1.802 53.401 52.037 -0.730 0.000 0.616 161 A CB -0.782 17.820 19.000 -0.664 0.000 0.823 161 A HN 0.659 nan 8.150 nan 0.000 0.442 162 K N -0.418 119.753 120.400 -0.383 0.000 2.063 162 K HA -0.246 4.074 4.320 0.000 0.000 0.208 162 K C 2.219 178.663 176.600 -0.261 0.000 1.048 162 K CA 1.886 57.971 56.287 -0.337 0.000 0.928 162 K CB -0.228 32.146 32.500 -0.210 0.000 0.713 162 K HN 0.627 nan 8.250 nan 0.000 0.442 163 Q N 0.242 119.950 119.800 -0.154 0.000 2.050 163 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 163 Q C 2.150 178.130 176.000 -0.033 0.000 0.980 163 Q CA 1.460 57.229 55.803 -0.057 0.000 0.840 163 Q CB -0.111 28.637 28.738 0.016 0.000 0.898 163 Q HN 0.245 nan 8.270 nan 0.000 0.424 164 L N 0.420 121.605 121.223 -0.064 0.000 2.056 164 L HA -0.068 4.272 4.340 0.000 0.000 0.207 164 L C 2.116 178.942 176.870 -0.074 0.000 1.078 164 L CA 1.962 56.810 54.840 0.013 0.000 0.749 164 L CB -0.808 41.290 42.059 0.065 0.000 0.901 164 L HN 0.132 nan 8.230 nan 0.000 0.433 165 A N -1.638 120.915 122.820 -0.445 0.000 1.933 165 A HA -0.208 4.112 4.320 0.000 0.000 0.218 165 A C 2.256 179.760 177.584 -0.133 0.000 1.175 165 A CA 2.285 53.982 52.037 -0.567 0.000 0.628 165 A CB -1.164 17.010 19.000 -1.377 0.000 0.814 165 A HN 0.504 nan 8.150 nan 0.000 0.444 166 T N 0.071 114.535 114.554 -0.150 0.000 2.708 166 T HA -0.124 4.226 4.350 0.000 0.000 0.266 166 T C 1.867 176.566 174.700 -0.003 0.000 1.037 166 T CA 1.378 63.426 62.100 -0.086 0.000 1.146 166 T CB -0.397 68.426 68.868 -0.075 0.000 0.865 166 T HN 0.407 nan 8.240 nan 0.000 0.435 167 L N 0.254 121.521 121.223 0.074 0.000 2.042 167 L HA -0.081 4.259 4.340 0.000 0.000 0.210 167 L C 2.246 179.227 176.870 0.186 0.000 1.076 167 L CA 1.529 56.453 54.840 0.140 0.000 0.749 167 L CB -0.405 41.776 42.059 0.204 0.000 0.893 167 L HN 0.218 nan 8.230 nan 0.000 0.432 168 F N -0.218 119.797 119.950 0.108 0.000 2.091 168 F HA -0.254 4.273 4.527 0.000 0.000 0.299 168 F C 2.069 177.975 175.800 0.176 0.000 1.103 168 F CA 2.158 60.285 58.000 0.212 0.000 1.228 168 F CB -0.691 38.534 39.000 0.375 0.000 0.984 168 F HN -0.117 nan 8.300 nan 0.000 0.477 169 V N 1.011 120.833 119.914 -0.153 0.000 2.270 169 V HA -0.339 3.781 4.120 0.000 0.000 0.245 169 V C 2.065 178.011 176.094 -0.247 0.000 1.043 169 V CA 2.409 64.432 62.300 -0.463 0.000 1.014 169 V CB -1.066 30.365 31.823 -0.654 0.000 0.645 169 V HN 0.406 nan 8.190 nan 0.000 0.447 170 N N 0.114 118.723 118.700 -0.152 0.000 2.094 170 N HA -0.234 4.506 4.740 0.000 0.000 0.191 170 N C 1.740 177.201 175.510 -0.081 0.000 1.023 170 N CA 1.417 54.403 53.050 -0.107 0.000 0.857 170 N CB -0.222 38.246 38.487 -0.031 0.000 1.013 170 N HN 0.323 nan 8.380 nan 0.000 0.426 171 L N 0.670 121.876 121.223 -0.029 0.000 2.109 171 L HA 0.005 4.345 4.340 0.000 0.000 0.207 171 L C 2.026 178.922 176.870 0.043 0.000 1.086 171 L CA 1.406 56.246 54.840 0.000 0.000 0.760 171 L CB -0.534 41.519 42.059 -0.010 0.000 0.910 171 L HN 0.223 nan 8.230 nan 0.000 0.437 172 C N -1.373 117.927 119.300 0.001 0.000 2.440 172 C HA -0.007 4.453 4.460 0.000 0.000 0.278 172 C C 2.204 177.297 174.990 0.171 0.000 1.295 172 C CA 0.945 60.020 59.018 0.096 0.000 1.738 172 C CB -0.505 27.211 27.740 -0.040 0.000 1.987 172 C HN 0.558 nan 8.230 nan 0.000 0.492 173 V N -1.973 117.952 119.914 0.019 0.000 3.252 173 V HA 0.302 4.422 4.120 0.000 0.000 0.320 173 V C 0.752 176.722 176.094 -0.206 0.000 1.459 173 V CA 0.779 63.049 62.300 -0.049 0.000 1.095 173 V CB -1.327 30.571 31.823 0.125 0.000 0.997 173 V HN 0.521 nan 8.190 nan 0.000 0.469 174 T N -1.538 112.816 114.554 -0.334 0.000 3.852 174 T HA -0.102 4.248 4.350 0.000 0.000 0.361 174 T C 0.144 174.682 174.700 -0.270 0.000 0.759 174 T CA 1.330 63.206 62.100 -0.372 0.000 1.899 174 T CB -2.592 65.918 68.868 -0.596 0.000 1.822 174 T HN 2.431 nan 8.240 nan 0.000 0.778 175 A N -0.347 122.299 122.820 -0.290 0.000 2.556 175 A HA 0.735 5.055 4.320 0.000 0.000 0.294 175 A C -0.330 177.037 177.584 -0.362 0.000 1.091 175 A CA -1.048 50.739 52.037 -0.418 0.000 0.704 175 A CB 1.261 19.792 19.000 -0.781 0.000 1.300 175 A HN 0.337 nan 8.150 nan 0.000 0.406 176 E N 0.476 120.420 120.200 -0.427 0.000 2.374 176 E HA 0.228 4.578 4.350 0.000 0.000 0.260 176 E C 1.273 177.566 176.600 -0.512 0.000 1.101 176 E CA 0.551 56.666 56.400 -0.474 0.000 0.907 176 E CB 0.808 30.046 29.700 -0.770 0.000 1.014 176 E HN 0.801 nan 8.360 nan 0.000 0.427 177 T N -1.412 112.910 114.554 -0.387 0.000 2.833 177 T HA -0.200 4.150 4.350 0.000 0.000 0.269 177 T C 1.448 176.021 174.700 -0.212 0.000 1.054 177 T CA 1.657 63.587 62.100 -0.283 0.000 1.135 177 T CB -0.390 68.366 68.868 -0.188 0.000 0.869 177 T HN 0.624 nan 8.240 nan 0.000 0.466 178 H N 0.554 119.565 119.070 -0.099 0.000 2.547 178 H HA 0.250 4.806 4.556 0.000 0.000 0.272 178 H C 1.505 176.803 175.328 -0.049 0.000 0.989 178 H CA 0.820 56.830 56.048 -0.064 0.000 1.214 178 H CB -0.186 29.539 29.762 -0.061 0.000 1.389 178 H HN 0.497 nan 8.280 nan 0.000 0.577 179 E N 1.329 121.345 120.200 -0.307 0.000 2.250 179 E HA 0.040 4.390 4.350 0.000 0.000 0.192 179 E C 0.806 177.371 176.600 -0.057 0.000 0.986 179 E CA 0.463 56.761 56.400 -0.170 0.000 0.849 179 E CB 0.790 30.242 29.700 -0.413 0.000 0.797 179 E HN 0.362 nan 8.360 nan 0.000 0.482 180 V N -1.123 118.747 119.914 -0.073 0.000 2.667 180 V HA 0.421 4.541 4.120 0.000 0.000 0.308 180 V C -0.008 176.225 176.094 0.232 0.000 1.048 180 V CA -1.152 61.218 62.300 0.116 0.000 0.928 180 V CB 1.851 33.784 31.823 0.184 0.000 1.004 180 V HN -0.040 nan 8.190 nan 0.000 0.444 181 S N 3.136 119.053 115.700 0.362 0.000 2.549 181 S HA 0.433 4.903 4.470 0.000 0.000 0.286 181 S C 1.424 176.278 174.600 0.423 0.000 1.314 181 S CA 0.190 58.616 58.200 0.376 0.000 1.062 181 S CB 0.907 64.370 63.200 0.438 0.000 0.865 181 S HN 1.735 nan 8.310 nan 0.000 0.498 182 A N 4.964 127.962 122.820 0.298 0.000 1.898 182 A HA -0.017 4.303 4.320 0.000 0.000 0.216 182 A C 2.014 179.780 177.584 0.304 0.000 1.181 182 A CA 1.536 53.723 52.037 0.250 0.000 0.620 182 A CB -0.905 18.167 19.000 0.120 0.000 0.819 182 A HN 0.940 nan 8.150 nan 0.000 0.442 183 L N -1.366 120.078 121.223 0.368 0.000 1.989 183 L HA -0.180 4.160 4.340 0.000 0.000 0.211 183 L C 2.240 179.349 176.870 0.399 0.000 1.071 183 L CA 2.625 57.713 54.840 0.413 0.000 0.749 183 L CB -0.806 41.495 42.059 0.403 0.000 0.890 183 L HN 0.666 nan 8.230 nan 0.000 0.431 184 W N -0.648 120.820 121.300 0.279 0.000 2.358 184 W HA -0.282 4.378 4.660 0.000 0.000 0.303 184 W C 2.333 179.127 176.519 0.458 0.000 1.208 184 W CA 1.888 59.420 57.345 0.311 0.000 1.274 184 W CB -0.644 28.977 29.460 0.269 0.000 1.138 184 W HN 0.287 nan 8.180 nan 0.000 0.515 185 F N 0.651 120.647 119.950 0.077 0.000 2.186 185 F HA -0.128 4.399 4.527 0.000 0.000 0.299 185 F C 2.068 177.786 175.800 -0.137 0.000 1.090 185 F CA 1.954 59.803 58.000 -0.251 0.000 1.307 185 F CB -0.597 38.398 39.000 -0.009 0.000 1.019 185 F HN -0.177 nan 8.300 nan 0.000 0.489 186 L N -1.287 119.960 121.223 0.041 0.000 2.083 186 L HA -0.211 4.129 4.340 0.000 0.000 0.209 186 L C 2.286 179.093 176.870 -0.104 0.000 1.083 186 L CA 1.607 56.417 54.840 -0.050 0.000 0.752 186 L CB -0.961 41.101 42.059 0.004 0.000 0.899 186 L HN 0.440 nan 8.230 nan 0.000 0.433 187 W N 0.052 121.234 121.300 -0.197 0.000 2.355 187 W HA -0.309 4.351 4.660 0.000 0.000 0.309 187 W C 2.636 178.952 176.519 -0.339 0.000 1.206 187 W CA 1.582 58.794 57.345 -0.222 0.000 1.284 187 W CB -0.677 28.684 29.460 -0.165 0.000 1.145 187 W HN 0.108 nan 8.180 nan 0.000 0.502 188 Y N 0.685 120.528 120.300 -0.761 0.000 2.128 188 Y HA -0.310 4.240 4.550 0.000 0.000 0.284 188 Y C 2.373 177.719 175.900 -0.923 0.000 1.154 188 Y CA 3.101 60.547 58.100 -1.091 0.000 1.149 188 Y CB -0.823 36.967 38.460 -1.117 0.000 0.976 188 Y HN -0.137 nan 8.280 nan 0.000 0.505 189 V N 1.045 120.545 119.914 -0.690 0.000 2.307 189 V HA -0.294 3.826 4.120 0.000 0.000 0.245 189 V C 2.511 178.284 176.094 -0.534 0.000 1.045 189 V CA 2.245 64.217 62.300 -0.547 0.000 1.024 189 V CB -0.724 30.867 31.823 -0.385 0.000 0.651 189 V HN 0.333 nan 8.190 nan 0.000 0.449 190 K N 1.130 121.238 120.400 -0.487 0.000 2.063 190 K HA -0.261 4.059 4.320 0.000 0.000 0.208 190 K C 2.145 178.419 176.600 -0.543 0.000 1.048 190 K CA 2.309 58.348 56.287 -0.414 0.000 0.928 190 K CB -0.183 32.145 32.500 -0.286 0.000 0.713 190 K HN 0.715 nan 8.250 nan 0.000 0.442 191 Q N -0.734 118.594 119.800 -0.786 0.000 2.472 191 Q HA -0.003 4.337 4.340 0.000 0.000 0.208 191 Q C 1.514 177.010 176.000 -0.840 0.000 0.958 191 Q CA 1.006 56.342 55.803 -0.778 0.000 0.932 191 Q CB -0.528 27.580 28.738 -1.049 0.000 1.007 191 Q HN 0.158 nan 8.270 nan 0.000 0.508 192 C N -0.041 118.622 119.300 -1.060 0.000 2.791 192 C HA 0.596 5.056 4.460 0.000 0.000 0.270 192 C C 1.581 175.822 174.990 -1.249 0.000 1.257 192 C CA 0.257 58.273 59.018 -1.669 0.000 1.699 192 C CB -0.854 25.919 27.740 -1.611 0.000 1.904 192 C HN 0.837 nan 8.230 nan 0.000 0.603 193 G N -0.056 108.345 108.800 -0.666 0.000 2.179 193 G HA2 0.288 4.248 3.960 0.000 0.000 0.220 193 G HA3 0.288 4.248 3.960 0.000 0.000 0.220 193 G C 0.468 175.201 174.900 -0.279 0.000 0.990 193 G CA 0.019 44.896 45.100 -0.372 0.000 0.646 193 G HN 1.621 nan 8.290 nan 0.000 0.517 194 G N -1.955 106.656 108.800 -0.314 0.000 2.566 194 G HA2 0.330 4.290 3.960 0.000 0.000 0.599 194 G HA3 0.330 4.290 3.960 0.000 0.000 0.599 194 G C 1.037 175.875 174.900 -0.104 0.000 1.292 194 G CA 1.033 46.019 45.100 -0.189 0.000 0.922 194 G HN 1.840 nan 8.290 nan 0.000 0.514 195 T N -2.989 111.557 114.554 -0.014 0.000 2.708 195 T HA -0.109 4.241 4.350 0.000 0.000 0.266 195 T C 2.352 177.041 174.700 -0.018 0.000 1.037 195 T CA 3.002 65.147 62.100 0.075 0.000 1.146 195 T CB -0.882 68.073 68.868 0.146 0.000 0.865 195 T HN 0.982 nan 8.240 nan 0.000 0.435 196 T N 1.345 115.893 114.554 -0.010 0.000 2.708 196 T HA -0.046 4.304 4.350 0.000 0.000 0.266 196 T C 2.134 176.773 174.700 -0.101 0.000 1.037 196 T CA 1.575 63.633 62.100 -0.071 0.000 1.146 196 T CB -0.337 68.549 68.868 0.030 0.000 0.865 196 T HN 0.316 nan 8.240 nan 0.000 0.435 197 R N 0.887 121.351 120.500 -0.060 0.000 2.081 197 R HA 0.128 4.468 4.340 0.000 0.000 0.235 197 R C 2.208 178.528 176.300 0.032 0.000 1.131 197 R CA 1.195 57.285 56.100 -0.017 0.000 0.960 197 R CB -0.814 29.462 30.300 -0.039 0.000 0.856 197 R HN 0.461 nan 8.270 nan 0.000 0.436 198 I N 0.326 120.885 120.570 -0.018 0.000 2.439 198 I HA -0.141 4.029 4.170 0.000 0.000 0.251 198 I C 1.647 177.829 176.117 0.109 0.000 1.139 198 I CA 1.143 62.483 61.300 0.067 0.000 1.438 198 I CB 0.083 38.094 38.000 0.019 0.000 1.085 198 I HN 0.340 nan 8.210 nan 0.000 0.427 199 I N -2.653 117.930 120.570 0.021 0.000 3.603 199 I HA 0.136 4.306 4.170 0.000 0.000 0.297 199 I C 0.781 176.824 176.117 -0.123 0.000 1.269 199 I CA -0.028 61.241 61.300 -0.052 0.000 1.361 199 I CB -0.099 37.780 38.000 -0.202 0.000 1.063 199 I HN -0.097 nan 8.210 nan 0.000 0.448 200 S N 1.294 116.922 115.700 -0.121 0.000 2.565 200 S HA 0.282 4.752 4.470 0.000 0.000 0.274 200 S C 0.926 175.486 174.600 -0.068 0.000 1.309 200 S CA -0.323 57.806 58.200 -0.119 0.000 1.043 200 S CB 1.714 64.844 63.200 -0.116 0.000 0.939 200 S HN 0.295 nan 8.310 nan 0.000 0.504 201 T N 2.354 116.869 114.554 -0.066 0.000 2.824 201 T HA 0.021 4.371 4.350 0.000 0.000 0.238 201 T C 0.596 175.256 174.700 -0.067 0.000 1.067 201 T CA 0.660 62.715 62.100 -0.074 0.000 1.286 201 T CB -0.375 68.450 68.868 -0.072 0.000 0.980 201 T HN 0.621 nan 8.240 nan 0.000 0.414 202 T N 3.447 117.968 114.554 -0.056 0.000 2.871 202 T HA 0.098 4.448 4.350 0.000 0.000 0.296 202 T C 0.747 175.422 174.700 -0.042 0.000 0.998 202 T CA 0.416 62.489 62.100 -0.044 0.000 1.162 202 T CB -0.111 68.738 68.868 -0.032 0.000 0.947 202 T HN 0.529 nan 8.240 nan 0.000 0.536 203 N N 0.536 119.214 118.700 -0.037 0.000 2.800 203 N HA -0.150 4.590 4.740 0.000 0.000 0.250 203 N C 0.155 175.653 175.510 -0.020 0.000 1.078 203 N CA 1.499 54.534 53.050 -0.026 0.000 0.804 203 N CB -1.060 37.416 38.487 -0.018 0.000 1.135 203 N HN 0.969 nan 8.380 nan 0.000 0.565 204 G N -3.211 105.569 108.800 -0.032 0.000 2.975 204 G HA2 0.566 4.526 3.960 0.000 0.000 0.291 204 G HA3 0.566 4.526 3.960 0.000 0.000 0.291 204 G C 0.983 175.860 174.900 -0.038 0.000 1.334 204 G CA -0.029 45.070 45.100 -0.002 0.000 0.843 204 G HN 0.293 nan 8.290 nan 0.000 0.548 205 G N -0.916 107.897 108.800 0.020 0.000 2.479 205 G HA2 -0.045 3.915 3.960 0.000 0.000 0.220 205 G HA3 -0.045 3.915 3.960 0.000 0.000 0.220 205 G C 1.187 176.033 174.900 -0.091 0.000 1.115 205 G CA 1.014 46.047 45.100 -0.112 0.000 0.757 205 G HN 0.414 nan 8.290 nan 0.000 0.560 206 Q N -0.465 119.281 119.800 -0.091 0.000 2.204 206 Q HA 0.274 4.614 4.340 0.000 0.000 0.209 206 Q C 1.683 177.600 176.000 -0.138 0.000 0.861 206 Q CA -0.115 55.571 55.803 -0.197 0.000 0.971 206 Q CB 0.692 29.220 28.738 -0.350 0.000 1.095 206 Q HN 0.630 nan 8.270 nan 0.000 0.486 207 E N 0.490 120.627 120.200 -0.105 0.000 2.077 207 E HA -0.093 4.257 4.350 0.000 0.000 0.193 207 E C -0.012 176.524 176.600 -0.106 0.000 0.989 207 E CA 0.825 57.167 56.400 -0.097 0.000 0.800 207 E CB 0.426 30.067 29.700 -0.098 0.000 0.746 207 E HN 0.169 nan 8.360 nan 0.000 0.452 208 R N -0.930 119.486 120.500 -0.140 0.000 2.855 208 R HA 0.482 4.822 4.340 0.000 0.000 0.266 208 R C -1.014 175.072 176.300 -0.356 0.000 1.034 208 R CA -0.746 55.189 56.100 -0.275 0.000 0.944 208 R CB 1.948 32.060 30.300 -0.313 0.000 1.219 208 R HN -0.181 nan 8.270 nan 0.000 0.474 209 K N 0.400 120.411 120.400 -0.649 0.000 2.433 209 K HA 0.439 4.759 4.320 0.000 0.000 0.252 209 K C -1.196 175.057 176.600 -0.578 0.000 1.015 209 K CA -0.698 55.204 56.287 -0.642 0.000 0.860 209 K CB 1.561 33.724 32.500 -0.560 0.000 1.359 209 K HN 0.236 nan 8.250 nan 0.000 0.452 210 F N 1.101 120.978 119.950 -0.120 0.000 2.410 210 F HA 0.164 4.691 4.527 0.000 0.000 0.348 210 F C 0.431 176.297 175.800 0.109 0.000 1.106 210 F CA -0.948 57.039 58.000 -0.022 0.000 1.163 210 F CB 0.963 39.929 39.000 -0.058 0.000 1.129 210 F HN 0.003 nan 8.300 nan 0.000 0.516 211 V N 3.693 123.823 119.914 0.360 0.000 2.493 211 V HA 0.215 4.335 4.120 0.000 0.000 0.292 211 V C 0.950 176.965 176.094 -0.131 0.000 1.016 211 V CA 1.170 63.608 62.300 0.230 0.000 1.097 211 V CB 0.094 32.019 31.823 0.170 0.000 0.947 211 V HN 1.114 nan 8.190 nan 0.000 0.479 212 G N 3.281 111.633 108.800 -0.746 0.000 2.195 212 G HA2 0.133 4.093 3.960 0.000 0.000 0.246 212 G HA3 0.133 4.093 3.960 0.000 0.000 0.246 212 G C 0.811 175.176 174.900 -0.891 0.000 0.984 212 G CA -0.042 44.290 45.100 -1.279 0.000 0.633 212 G HN 2.441 nan 8.290 nan 0.000 0.525 213 G N -1.473 107.116 108.800 -0.352 0.000 2.675 213 G HA2 0.349 4.309 3.960 0.000 0.000 0.686 213 G HA3 0.349 4.309 3.960 0.000 0.000 0.686 213 G C 0.843 175.758 174.900 0.026 0.000 1.215 213 G CA 0.850 45.940 45.100 -0.017 0.000 0.777 213 G HN 1.886 nan 8.290 nan 0.000 0.638 214 S N -0.155 115.614 115.700 0.115 0.000 2.453 214 S HA 0.139 4.609 4.470 0.000 0.000 0.231 214 S C 2.524 177.113 174.600 -0.018 0.000 1.005 214 S CA 1.602 59.865 58.200 0.105 0.000 0.949 214 S CB -0.033 63.292 63.200 0.209 0.000 0.774 214 S HN 2.175 nan 8.310 nan 0.000 0.510 215 G N 1.396 110.197 108.800 0.002 0.000 2.479 215 G HA2 -0.174 3.786 3.960 0.000 0.000 0.220 215 G HA3 -0.174 3.786 3.960 0.000 0.000 0.220 215 G C 1.444 176.316 174.900 -0.046 0.000 1.115 215 G CA 0.609 45.714 45.100 0.008 0.000 0.757 215 G HN 0.633 nan 8.290 nan 0.000 0.560 216 Q N -0.201 119.537 119.800 -0.103 0.000 2.226 216 Q HA -0.064 4.276 4.340 0.000 0.000 0.204 216 Q C 2.737 178.641 176.000 -0.159 0.000 0.975 216 Q CA 1.003 56.724 55.803 -0.136 0.000 0.866 216 Q CB -0.189 28.442 28.738 -0.179 0.000 0.915 216 Q HN 0.436 nan 8.270 nan 0.000 0.440 217 V N 0.372 120.164 119.914 -0.203 0.000 2.233 217 V HA -0.292 3.828 4.120 0.000 0.000 0.247 217 V C 2.151 178.180 176.094 -0.108 0.000 1.050 217 V CA 2.181 64.361 62.300 -0.200 0.000 1.010 217 V CB -0.634 31.055 31.823 -0.224 0.000 0.637 217 V HN 0.304 nan 8.190 nan 0.000 0.444 218 S N -0.700 114.962 115.700 -0.065 0.000 2.383 218 S HA -0.198 4.272 4.470 0.000 0.000 0.227 218 S C 1.902 176.480 174.600 -0.036 0.000 1.026 218 S CA 1.482 59.663 58.200 -0.033 0.000 0.981 218 S CB -0.291 62.911 63.200 0.003 0.000 0.818 218 S HN 0.684 nan 8.310 nan 0.000 0.472 219 E N 1.053 121.230 120.200 -0.038 0.000 2.051 219 E HA -0.103 4.247 4.350 0.000 0.000 0.192 219 E C 2.355 178.925 176.600 -0.050 0.000 0.991 219 E CA 0.883 57.261 56.400 -0.035 0.000 0.799 219 E CB -0.092 29.587 29.700 -0.035 0.000 0.748 219 E HN 0.367 nan 8.360 nan 0.000 0.449 220 R N 0.235 120.694 120.500 -0.068 0.000 2.115 220 R HA -0.031 4.309 4.340 0.000 0.000 0.226 220 R C 2.341 178.602 176.300 -0.065 0.000 1.100 220 R CA 0.800 56.858 56.100 -0.069 0.000 0.980 220 R CB -0.162 30.087 30.300 -0.085 0.000 0.875 220 R HN 0.226 nan 8.270 nan 0.000 0.445 221 I N 0.616 121.146 120.570 -0.067 0.000 2.252 221 I HA -0.271 3.899 4.170 0.000 0.000 0.245 221 I C 2.656 178.727 176.117 -0.077 0.000 1.102 221 I CA 1.081 62.340 61.300 -0.068 0.000 1.385 221 I CB -0.182 37.782 38.000 -0.060 0.000 1.064 221 I HN 0.192 nan 8.210 nan 0.000 0.414 222 M N 0.892 120.454 119.600 -0.063 0.000 2.108 222 M HA -0.266 4.214 4.480 0.000 0.000 0.261 222 M C 1.686 177.948 176.300 -0.064 0.000 1.066 222 M CA 1.991 57.254 55.300 -0.061 0.000 1.107 222 M CB -0.218 32.358 32.600 -0.041 0.000 1.356 222 M HN 0.156 nan 8.290 nan 0.000 0.406 223 D N 0.619 120.986 120.400 -0.056 0.000 2.104 223 D HA -0.165 4.475 4.640 0.000 0.000 0.194 223 D C 2.027 178.291 176.300 -0.059 0.000 0.994 223 D CA 1.472 55.443 54.000 -0.049 0.000 0.830 223 D CB -0.501 40.273 40.800 -0.042 0.000 0.959 223 D HN 0.431 nan 8.370 nan 0.000 0.452 224 L N 0.074 121.252 121.223 -0.074 0.000 2.131 224 L HA -0.103 4.237 4.340 0.000 0.000 0.210 224 L C 2.353 179.119 176.870 -0.173 0.000 1.092 224 L CA 0.610 55.397 54.840 -0.089 0.000 0.759 224 L CB -0.209 41.802 42.059 -0.080 0.000 0.903 224 L HN 0.027 nan 8.230 nan 0.000 0.435 225 L N -1.178 119.921 121.223 -0.207 0.000 2.446 225 L HA 0.149 4.489 4.340 0.000 0.000 0.219 225 L C 1.675 178.449 176.870 -0.160 0.000 1.116 225 L CA 0.378 55.042 54.840 -0.295 0.000 0.844 225 L CB -0.632 41.282 42.059 -0.242 0.000 0.970 225 L HN 0.424 nan 8.230 nan 0.000 0.457 226 G N 1.927 110.670 108.800 -0.095 0.000 2.622 226 G HA2 -0.454 3.506 3.960 0.000 0.000 0.307 226 G HA3 -0.454 3.506 3.960 0.000 0.000 0.307 226 G C 0.601 175.479 174.900 -0.037 0.000 1.226 226 G CA 0.520 45.590 45.100 -0.049 0.000 0.997 226 G HN 0.501 nan 8.290 nan 0.000 0.551 227 D N 1.012 121.402 120.400 -0.016 0.000 2.378 227 D HA 0.018 4.658 4.640 0.000 0.000 0.227 227 D C 2.106 178.406 176.300 0.001 0.000 1.012 227 D CA 0.891 54.890 54.000 -0.002 0.000 0.905 227 D CB -0.344 40.464 40.800 0.013 0.000 0.895 227 D HN 0.637 nan 8.370 nan 0.000 0.532 228 R N -0.010 120.479 120.500 -0.018 0.000 2.189 228 R HA 0.064 4.404 4.340 0.000 0.000 0.223 228 R C 0.412 176.689 176.300 -0.039 0.000 1.092 228 R CA 0.341 56.430 56.100 -0.018 0.000 0.989 228 R CB 0.150 30.428 30.300 -0.036 0.000 0.876 228 R HN 0.082 nan 8.270 nan 0.000 0.457 229 V N 3.059 122.945 119.914 -0.047 0.000 2.432 229 V HA 0.084 4.204 4.120 0.000 0.000 0.271 229 V C -0.016 176.053 176.094 -0.043 0.000 1.046 229 V CA -0.197 62.070 62.300 -0.055 0.000 0.945 229 V CB 1.225 33.017 31.823 -0.052 0.000 0.992 229 V HN 0.056 nan 8.190 nan 0.000 0.471 230 K N 6.565 126.926 120.400 -0.064 0.000 2.334 230 K HA 0.519 4.839 4.320 0.000 0.000 0.265 230 K C -0.663 175.903 176.600 -0.057 0.000 1.039 230 K CA -0.308 55.950 56.287 -0.047 0.000 0.920 230 K CB 1.696 34.156 32.500 -0.068 0.000 1.160 230 K HN 0.506 nan 8.250 nan 0.000 0.451 231 L N 1.652 122.854 121.223 -0.034 0.000 2.418 231 L HA 0.161 4.502 4.340 0.000 0.000 0.265 231 L C 0.726 177.572 176.870 -0.040 0.000 1.143 231 L CA -0.162 54.654 54.840 -0.040 0.000 0.809 231 L CB 0.201 42.246 42.059 -0.023 0.000 1.124 231 L HN 0.682 nan 8.230 nan 0.000 0.456 232 E N 0.752 120.914 120.200 -0.064 0.000 2.389 232 E HA -0.229 4.121 4.350 0.000 0.000 0.243 232 E C -0.486 176.076 176.600 -0.064 0.000 1.154 232 E CA 0.276 56.636 56.400 -0.066 0.000 0.723 232 E CB -0.832 28.850 29.700 -0.029 0.000 1.261 232 E HN 0.385 nan 8.360 nan 0.000 0.390 233 R N 0.241 120.685 120.500 -0.093 0.000 2.724 233 R HA 0.241 4.581 4.340 0.000 0.000 0.284 233 R C -2.686 173.537 176.300 -0.128 0.000 1.481 233 R CA -1.945 54.108 56.100 -0.080 0.000 1.652 233 R CB 0.580 30.836 30.300 -0.074 0.000 1.175 233 R HN 0.000 nan 8.270 nan 0.000 0.613 234 P HA 0.018 nan 4.420 nan 0.000 0.271 234 P C -0.279 176.979 177.300 -0.069 0.000 1.226 234 P CA -0.165 62.829 63.100 -0.177 0.000 0.765 234 P CB 0.948 32.549 31.700 -0.165 0.000 0.835 235 V N 5.547 125.430 119.914 -0.052 0.000 2.555 235 V HA 0.069 4.189 4.120 0.000 0.000 0.286 235 V C 1.729 177.834 176.094 0.019 0.000 1.044 235 V CA 0.370 62.660 62.300 -0.017 0.000 1.026 235 V CB 0.397 32.200 31.823 -0.033 0.000 0.981 235 V HN 0.544 nan 8.190 nan 0.000 0.480 236 I N 1.855 122.448 120.570 0.038 0.000 4.323 236 I HA 0.447 4.617 4.170 0.000 0.000 0.328 236 I C -0.023 176.177 176.117 0.139 0.000 1.310 236 I CA 0.119 61.469 61.300 0.084 0.000 1.186 236 I CB 0.640 38.667 38.000 0.046 0.000 1.130 236 I HN 0.507 nan 8.210 nan 0.000 0.411 237 Y N 1.841 122.082 120.300 -0.098 0.000 2.436 237 Y HA 0.675 5.225 4.550 0.000 0.000 0.327 237 Y C -1.925 173.892 175.900 -0.138 0.000 1.138 237 Y CA -1.501 56.525 58.100 -0.124 0.000 1.042 237 Y CB 1.577 39.997 38.460 -0.067 0.000 1.302 237 Y HN -0.009 nan 8.280 nan 0.000 0.439 238 I N 5.724 125.873 120.570 -0.702 0.000 2.466 238 I HA 0.319 4.489 4.170 0.000 0.000 0.289 238 I C -1.418 174.316 176.117 -0.639 0.000 1.026 238 I CA -0.709 60.273 61.300 -0.530 0.000 1.078 238 I CB 1.931 39.772 38.000 -0.265 0.000 1.249 238 I HN 0.525 nan 8.210 nan 0.000 0.429 239 D N 5.979 126.080 120.400 -0.500 0.000 2.481 239 D HA 0.279 4.919 4.640 0.000 0.000 0.246 239 D C -0.309 175.921 176.300 -0.117 0.000 1.109 239 D CA -0.241 53.554 54.000 -0.340 0.000 0.845 239 D CB 1.548 42.180 40.800 -0.280 0.000 1.160 239 D HN 0.502 nan 8.370 nan 0.000 0.534 240 Q N 1.759 121.528 119.800 -0.050 0.000 2.175 240 Q HA 0.085 4.425 4.340 0.000 0.000 0.225 240 Q C 1.185 177.182 176.000 -0.005 0.000 0.837 240 Q CA -0.004 55.788 55.803 -0.019 0.000 1.032 240 Q CB 0.753 29.493 28.738 0.004 0.000 1.137 240 Q HN 0.558 nan 8.270 nan 0.000 0.483 241 T N -2.442 112.114 114.554 0.004 0.000 3.055 241 T HA 0.083 4.433 4.350 0.000 0.000 0.265 241 T C 0.941 175.647 174.700 0.010 0.000 1.111 241 T CA 0.305 62.414 62.100 0.016 0.000 1.118 241 T CB 0.261 69.150 68.868 0.034 0.000 0.909 241 T HN 0.077 nan 8.240 nan 0.000 0.501 242 R N 0.261 120.762 120.500 0.002 0.000 2.944 242 R HA 0.508 4.848 4.340 0.000 0.000 0.233 242 R C 1.526 177.816 176.300 -0.016 0.000 1.346 242 R CA -0.614 55.485 56.100 -0.001 0.000 1.082 242 R CB 0.738 31.041 30.300 0.004 0.000 1.434 242 R HN 0.185 nan 8.270 nan 0.000 0.510 243 E N 0.616 120.805 120.200 -0.018 0.000 2.058 243 E HA -0.147 4.203 4.350 0.000 0.000 0.194 243 E C -0.277 176.290 176.600 -0.055 0.000 0.997 243 E CA 1.194 57.575 56.400 -0.032 0.000 0.801 243 E CB 0.172 29.857 29.700 -0.024 0.000 0.746 243 E HN 0.286 nan 8.360 nan 0.000 0.450 244 N N 0.275 118.947 118.700 -0.046 0.000 2.417 244 N HA 0.188 4.928 4.740 0.000 0.000 0.300 244 N C -1.095 174.387 175.510 -0.047 0.000 1.102 244 N CA -0.459 52.555 53.050 -0.060 0.000 0.886 244 N CB 2.060 40.523 38.487 -0.040 0.000 1.203 244 N HN -0.109 nan 8.380 nan 0.000 0.496 245 V N 2.108 121.986 119.914 -0.059 0.000 2.637 245 V HA 0.142 4.262 4.120 0.000 0.000 0.296 245 V C 0.512 176.597 176.094 -0.015 0.000 1.046 245 V CA -0.196 62.080 62.300 -0.040 0.000 1.066 245 V CB 0.144 31.945 31.823 -0.036 0.000 0.968 245 V HN 0.368 nan 8.190 nan 0.000 0.483 246 L N 5.490 126.699 121.223 -0.022 0.000 2.296 246 L HA 0.575 4.915 4.340 0.000 0.000 0.286 246 L C -0.624 176.239 176.870 -0.011 0.000 1.023 246 L CA -0.538 54.306 54.840 0.007 0.000 0.812 246 L CB 1.797 43.874 42.059 0.030 0.000 1.223 246 L HN 0.375 nan 8.230 nan 0.000 0.421 247 V N 2.876 122.828 119.914 0.063 0.000 2.407 247 V HA 0.349 4.469 4.120 0.000 0.000 0.291 247 V C -0.205 175.988 176.094 0.165 0.000 1.018 247 V CA -0.629 61.712 62.300 0.067 0.000 0.842 247 V CB 1.738 33.597 31.823 0.061 0.000 0.996 247 V HN 0.721 nan 8.190 nan 0.000 0.426 248 E N 2.842 123.138 120.200 0.160 0.000 2.191 248 E HA 0.654 5.004 4.350 0.000 0.000 0.274 248 E C -0.277 176.397 176.600 0.123 0.000 0.948 248 E CA -0.460 56.049 56.400 0.181 0.000 0.802 248 E CB 1.834 31.668 29.700 0.222 0.000 1.137 248 E HN 0.837 nan 8.360 nan 0.000 0.397 249 T N 0.854 115.472 114.554 0.106 0.000 2.952 249 T HA 0.206 4.556 4.350 0.000 0.000 0.286 249 T C 0.920 175.583 174.700 -0.061 0.000 1.024 249 T CA -0.846 61.276 62.100 0.037 0.000 1.029 249 T CB 1.139 70.051 68.868 0.074 0.000 1.094 249 T HN 0.425 nan 8.240 nan 0.000 0.515 250 L N 1.592 122.758 121.223 -0.095 0.000 2.083 250 L HA 0.027 4.367 4.340 0.000 0.000 0.209 250 L C 1.826 178.453 176.870 -0.405 0.000 1.083 250 L CA 2.039 56.765 54.840 -0.191 0.000 0.752 250 L CB -1.160 40.846 42.059 -0.089 0.000 0.899 250 L HN 0.935 nan 8.230 nan 0.000 0.433 251 N N -2.218 116.344 118.700 -0.230 0.000 2.413 251 N HA -0.072 4.668 4.740 0.000 0.000 0.207 251 N C -0.462 175.014 175.510 -0.057 0.000 1.206 251 N CA 0.207 53.165 53.050 -0.153 0.000 0.832 251 N CB -0.618 37.867 38.487 -0.002 0.000 1.037 251 N HN 0.487 nan 8.380 nan 0.000 0.467 252 H N -1.754 117.330 119.070 0.024 0.000 2.819 252 H HA -0.143 4.413 4.556 0.000 0.000 0.315 252 H C -1.053 174.279 175.328 0.006 0.000 1.242 252 H CA 0.748 56.801 56.048 0.009 0.000 1.157 252 H CB -1.991 27.768 29.762 -0.006 0.000 1.451 252 H HN 0.603 nan 8.280 nan 0.000 0.430 253 E N 0.674 120.923 120.200 0.081 0.000 2.227 253 E HA 0.543 4.893 4.350 0.000 0.000 0.268 253 E C -0.094 176.507 176.600 0.002 0.000 0.907 253 E CA -1.131 55.280 56.400 0.018 0.000 0.786 253 E CB 1.568 31.307 29.700 0.065 0.000 1.191 253 E HN 0.056 nan 8.360 nan 0.000 0.411 254 M N 2.435 121.938 119.600 -0.162 0.000 2.311 254 M HA 0.381 4.861 4.480 0.000 0.000 0.325 254 M C -1.367 174.740 176.300 -0.322 0.000 1.061 254 M CA -0.627 54.614 55.300 -0.100 0.000 0.957 254 M CB 0.820 33.391 32.600 -0.048 0.000 1.646 254 M HN 0.515 nan 8.290 nan 0.000 0.434 255 Y N 0.496 120.806 120.300 0.018 0.000 2.393 255 Y HA 0.472 5.022 4.550 0.000 0.000 0.341 255 Y C 0.104 176.007 175.900 0.005 0.000 0.988 255 Y CA -0.685 57.421 58.100 0.009 0.000 1.078 255 Y CB 1.670 40.133 38.460 0.005 0.000 1.203 255 Y HN 0.568 nan 8.280 nan 0.000 0.453 256 E N 1.851 122.122 120.200 0.118 0.000 2.187 256 E HA 0.832 5.182 4.350 0.000 0.000 0.268 256 E C -1.451 175.186 176.600 0.062 0.000 0.896 256 E CA -0.672 55.765 56.400 0.063 0.000 0.766 256 E CB 1.191 30.905 29.700 0.023 0.000 1.142 256 E HN 0.768 nan 8.360 nan 0.000 0.408 257 A N 3.645 126.485 122.820 0.033 0.000 2.594 257 A HA 0.368 4.688 4.320 0.000 0.000 0.291 257 A C -0.035 177.520 177.584 -0.049 0.000 1.105 257 A CA -0.648 51.401 52.037 0.020 0.000 0.694 257 A CB 1.525 20.555 19.000 0.050 0.000 1.291 257 A HN 0.693 nan 8.150 nan 0.000 0.410 258 K N -0.751 119.603 120.400 -0.076 0.000 2.076 258 K HA 0.089 4.409 4.320 0.000 0.000 0.204 258 K C -0.630 175.616 176.600 -0.590 0.000 1.051 258 K CA 1.541 57.644 56.287 -0.307 0.000 0.949 258 K CB -0.090 32.279 32.500 -0.217 0.000 0.726 258 K HN 0.618 nan 8.250 nan 0.000 0.443 259 Y N -1.330 118.991 120.300 0.034 0.000 2.615 259 Y HA 0.416 4.966 4.550 0.000 0.000 0.341 259 Y C -0.647 175.277 175.900 0.040 0.000 1.089 259 Y CA -1.313 56.822 58.100 0.059 0.000 1.049 259 Y CB 1.777 40.270 38.460 0.056 0.000 1.296 259 Y HN -0.422 nan 8.280 nan 0.000 0.470 260 V N 2.971 123.021 119.914 0.227 0.000 2.656 260 V HA 0.481 4.601 4.120 0.000 0.000 0.307 260 V C -0.681 175.459 176.094 0.076 0.000 1.051 260 V CA -0.864 61.497 62.300 0.102 0.000 0.893 260 V CB 2.109 33.959 31.823 0.046 0.000 0.999 260 V HN 0.544 nan 8.190 nan 0.000 0.426 261 I N 2.874 123.461 120.570 0.028 0.000 2.339 261 I HA 0.346 4.516 4.170 0.000 0.000 0.290 261 I C 0.312 176.419 176.117 -0.017 0.000 0.994 261 I CA -0.182 61.115 61.300 -0.005 0.000 1.191 261 I CB 1.880 39.886 38.000 0.009 0.000 1.343 261 I HN 0.600 nan 8.210 nan 0.000 0.458 262 S N 5.437 121.100 115.700 -0.062 0.000 2.400 262 S HA 0.499 4.969 4.470 0.000 0.000 0.295 262 S C 0.463 175.148 174.600 0.141 0.000 1.113 262 S CA -0.479 57.760 58.200 0.064 0.000 1.064 262 S CB 0.496 63.784 63.200 0.147 0.000 0.990 262 S HN 0.719 nan 8.310 nan 0.000 0.502 263 A N 5.959 128.847 122.820 0.114 0.000 2.827 263 A HA 0.468 4.788 4.320 0.000 0.000 0.300 263 A C 0.333 177.994 177.584 0.128 0.000 1.237 263 A CA -0.697 51.412 52.037 0.120 0.000 0.964 263 A CB -0.587 18.460 19.000 0.078 0.000 1.143 263 A HN 0.916 nan 8.150 nan 0.000 0.554 264 I N -4.073 116.591 120.570 0.156 0.000 2.797 264 I HA 0.679 4.849 4.170 0.000 0.000 0.307 264 I C -2.927 173.283 176.117 0.154 0.000 1.033 264 I CA -3.134 58.255 61.300 0.148 0.000 1.071 264 I CB 1.519 39.607 38.000 0.147 0.000 1.255 264 I HN -0.164 nan 8.210 nan 0.000 0.445 265 P HA 0.140 nan 4.420 nan 0.000 0.264 265 P C -2.166 175.183 177.300 0.081 0.000 1.183 265 P CA -0.686 62.478 63.100 0.106 0.000 0.763 265 P CB 0.009 31.759 31.700 0.083 0.000 0.807 266 P HA -0.228 nan 4.420 nan 0.000 0.216 266 P C 1.630 178.908 177.300 -0.037 0.000 1.157 266 P CA 1.890 64.989 63.100 -0.003 0.000 0.880 266 P CB -0.291 31.375 31.700 -0.058 0.000 0.791 267 T N -1.229 113.278 114.554 -0.079 0.000 2.881 267 T HA -0.084 4.266 4.350 0.000 0.000 0.270 267 T C 1.539 176.226 174.700 -0.022 0.000 1.068 267 T CA 0.803 62.847 62.100 -0.092 0.000 1.131 267 T CB -0.832 67.947 68.868 -0.148 0.000 0.871 267 T HN -0.035 nan 8.240 nan 0.000 0.479 268 L N 0.407 121.646 121.223 0.027 0.000 2.456 268 L HA 0.108 4.448 4.340 0.000 0.000 0.224 268 L C 2.808 179.747 176.870 0.115 0.000 1.148 268 L CA 0.720 55.604 54.840 0.073 0.000 0.825 268 L CB -0.760 41.368 42.059 0.114 0.000 0.937 268 L HN 0.349 nan 8.230 nan 0.000 0.450 269 G N -0.112 108.767 108.800 0.132 0.000 2.479 269 G HA2 -0.255 3.705 3.960 0.000 0.000 0.220 269 G HA3 -0.255 3.705 3.960 0.000 0.000 0.220 269 G C 1.607 176.644 174.900 0.230 0.000 1.115 269 G CA 0.266 45.504 45.100 0.230 0.000 0.757 269 G HN 0.151 nan 8.290 nan 0.000 0.560 270 M N 0.420 120.081 119.600 0.102 0.000 2.279 270 M HA -0.008 4.472 4.480 0.000 0.000 0.264 270 M C 2.119 178.430 176.300 0.019 0.000 1.062 270 M CA 1.025 56.353 55.300 0.047 0.000 1.099 270 M CB -0.528 32.063 32.600 -0.015 0.000 1.394 270 M HN 0.240 nan 8.290 nan 0.000 0.426 271 K N 0.037 120.470 120.400 0.055 0.000 2.504 271 K HA 0.136 4.456 4.320 0.000 0.000 0.195 271 K C 0.390 177.032 176.600 0.070 0.000 1.036 271 K CA 0.444 56.771 56.287 0.066 0.000 0.984 271 K CB 0.121 32.693 32.500 0.120 0.000 0.788 271 K HN 0.327 nan 8.250 nan 0.000 0.488 272 I N 1.195 121.770 120.570 0.008 0.000 2.404 272 I HA 0.129 4.299 4.170 0.000 0.000 0.293 272 I C 0.131 176.088 176.117 -0.266 0.000 0.992 272 I CA -0.751 60.460 61.300 -0.149 0.000 1.149 272 I CB 1.340 39.102 38.000 -0.397 0.000 1.315 272 I HN 0.036 nan 8.210 nan 0.000 0.446 273 H N 6.006 124.964 119.070 -0.187 0.000 2.527 273 H HA 0.347 4.903 4.556 0.000 0.000 0.321 273 H C -1.097 174.126 175.328 -0.174 0.000 1.087 273 H CA -0.186 55.854 56.048 -0.014 0.000 1.337 273 H CB 1.164 31.010 29.762 0.140 0.000 1.440 273 H HN 0.321 nan 8.280 nan 0.000 0.490 274 F N 1.888 121.933 119.950 0.160 0.000 2.443 274 F HA 0.171 4.698 4.527 -0.000 0.000 0.335 274 F C 0.612 176.449 175.800 0.061 0.000 1.104 274 F CA -0.734 57.292 58.000 0.042 0.000 1.013 274 F CB 1.342 40.356 39.000 0.023 0.000 1.136 274 F HN 0.465 nan 8.300 nan 0.000 0.470 275 N N 4.261 123.037 118.700 0.126 0.000 2.461 275 N HA 0.412 5.152 4.740 0.000 0.000 0.284 275 N C -3.048 172.503 175.510 0.069 0.000 1.049 275 N CA -2.352 50.768 53.050 0.117 0.000 0.889 275 N CB 2.117 40.694 38.487 0.150 0.000 1.365 275 N HN 0.077 nan 8.380 nan 0.000 0.499 276 P HA 0.333 nan 4.420 nan 0.000 0.274 276 P C -2.663 174.709 177.300 0.120 0.000 1.256 276 P CA -1.027 62.128 63.100 0.092 0.000 0.795 276 P CB -0.369 31.365 31.700 0.057 0.000 1.038 277 P HA 0.073 nan 4.420 nan 0.000 0.268 277 P C 0.113 177.427 177.300 0.023 0.000 1.208 277 P CA 0.242 63.401 63.100 0.098 0.000 0.777 277 P CB 0.160 31.901 31.700 0.068 0.000 0.875 278 L N 3.353 124.544 121.223 -0.054 0.000 2.499 278 L HA 0.113 4.453 4.340 0.000 0.000 0.281 278 L C -1.488 175.331 176.870 -0.086 0.000 1.234 278 L CA -1.502 53.239 54.840 -0.165 0.000 0.839 278 L CB -0.696 41.184 42.059 -0.298 0.000 1.104 278 L HN 0.321 nan 8.230 nan 0.000 0.500 279 P HA -0.062 nan 4.420 nan 0.000 0.270 279 P C 0.601 177.870 177.300 -0.052 0.000 1.223 279 P CA -0.296 62.771 63.100 -0.054 0.000 0.785 279 P CB 0.518 32.186 31.700 -0.053 0.000 0.923 280 M N 1.531 121.113 119.600 -0.031 0.000 2.089 280 M HA -0.221 4.259 4.480 0.000 0.000 0.257 280 M C 1.339 177.645 176.300 0.010 0.000 1.071 280 M CA 2.350 57.642 55.300 -0.013 0.000 1.096 280 M CB -0.392 32.202 32.600 -0.010 0.000 1.330 280 M HN 0.109 nan 8.290 nan 0.000 0.403 281 M N -0.267 119.332 119.600 -0.001 0.000 2.086 281 M HA -0.157 4.323 4.480 0.000 0.000 0.261 281 M C 2.340 178.681 176.300 0.068 0.000 1.067 281 M CA 1.833 57.166 55.300 0.055 0.000 1.116 281 M CB -1.480 31.094 32.600 -0.043 0.000 1.348 281 M HN 0.440 nan 8.290 nan 0.000 0.407 282 R N 0.316 120.786 120.500 -0.051 0.000 2.092 282 R HA -0.170 4.170 4.340 0.000 0.000 0.231 282 R C 1.998 178.215 176.300 -0.138 0.000 1.119 282 R CA 1.710 57.732 56.100 -0.129 0.000 0.970 282 R CB -0.230 29.940 30.300 -0.216 0.000 0.864 282 R HN 0.349 nan 8.270 nan 0.000 0.440 283 N N 0.438 119.073 118.700 -0.108 0.000 2.094 283 N HA -0.219 4.521 4.740 0.000 0.000 0.191 283 N C 1.580 177.029 175.510 -0.103 0.000 1.023 283 N CA 1.845 54.837 53.050 -0.096 0.000 0.857 283 N CB 0.045 38.498 38.487 -0.057 0.000 1.013 283 N HN 0.343 nan 8.380 nan 0.000 0.426 284 Q N -1.076 118.673 119.800 -0.085 0.000 2.163 284 Q HA -0.037 4.303 4.340 0.000 0.000 0.198 284 Q C 1.964 177.719 176.000 -0.409 0.000 0.954 284 Q CA 0.579 56.278 55.803 -0.173 0.000 0.851 284 Q CB -0.118 28.595 28.738 -0.043 0.000 0.928 284 Q HN 0.483 nan 8.270 nan 0.000 0.459 285 M N 1.687 121.050 119.600 -0.396 0.000 2.106 285 M HA -0.176 4.304 4.480 0.000 0.000 0.259 285 M C 1.981 178.051 176.300 -0.382 0.000 1.068 285 M CA 1.691 56.702 55.300 -0.481 0.000 1.100 285 M CB -0.482 32.010 32.600 -0.180 0.000 1.351 285 M HN 0.306 nan 8.290 nan 0.000 0.404 286 I N -1.703 118.704 120.570 -0.271 0.000 3.334 286 I HA -0.058 4.112 4.170 0.000 0.000 0.282 286 I C 1.457 177.442 176.117 -0.220 0.000 1.313 286 I CA 1.325 62.492 61.300 -0.222 0.000 1.396 286 I CB -0.972 36.942 38.000 -0.143 0.000 1.054 286 I HN 0.311 nan 8.210 nan 0.000 0.495 287 T N -2.522 111.880 114.554 -0.253 0.000 3.069 287 T HA 0.289 4.639 4.350 0.000 0.000 0.252 287 T C 1.481 176.010 174.700 -0.284 0.000 1.053 287 T CA -0.224 61.739 62.100 -0.228 0.000 0.964 287 T CB -0.020 68.738 68.868 -0.184 0.000 1.005 287 T HN 0.410 nan 8.240 nan 0.000 0.532 288 R N 0.941 121.213 120.500 -0.381 0.000 2.508 288 R HA 0.323 4.663 4.340 0.000 0.000 0.300 288 R C -0.089 175.889 176.300 -0.535 0.000 0.970 288 R CA 0.007 55.852 56.100 -0.425 0.000 1.102 288 R CB 1.361 31.353 30.300 -0.514 0.000 1.246 288 R HN 0.429 nan 8.270 nan 0.000 0.539 289 V N -0.650 118.924 119.914 -0.567 0.000 2.383 289 V HA 0.469 4.589 4.120 0.000 0.000 0.261 289 V C -2.677 173.042 176.094 -0.626 0.000 0.987 289 V CA -2.364 59.477 62.300 -0.764 0.000 0.853 289 V CB 0.671 32.004 31.823 -0.816 0.000 1.095 289 V HN -0.112 nan 8.190 nan 0.000 0.461 290 P HA 0.484 nan 4.420 nan 0.000 0.276 290 P C -0.623 176.334 177.300 -0.572 0.000 1.252 290 P CA -0.330 62.419 63.100 -0.585 0.000 0.802 290 P CB 1.838 33.173 31.700 -0.608 0.000 1.035 291 L N 0.413 121.483 121.223 -0.256 0.000 2.375 291 L HA 0.572 4.912 4.340 0.000 0.000 0.268 291 L C 1.488 178.397 176.870 0.066 0.000 1.058 291 L CA -0.094 54.696 54.840 -0.083 0.000 0.803 291 L CB 0.473 42.520 42.059 -0.019 0.000 1.212 291 L HN 0.484 nan 8.230 nan 0.000 0.451 292 G N -0.042 108.834 108.800 0.126 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 -0.813 174.085 174.900 -0.003 0.000 1.305 292 G CA -0.369 44.778 45.100 0.079 0.000 1.010 292 G HN 0.503 nan 8.290 nan 0.000 0.509 293 S N -1.467 114.200 115.700 -0.055 0.000 2.561 293 S HA 0.598 5.068 4.470 0.000 0.000 0.303 293 S C -1.059 173.516 174.600 -0.042 0.000 1.110 293 S CA -0.508 57.685 58.200 -0.011 0.000 1.034 293 S CB 1.719 64.927 63.200 0.012 0.000 1.010 293 S HN 0.832 nan 8.310 nan 0.000 0.482 294 V N 4.637 124.578 119.914 0.044 0.000 3.000 294 V HA 0.572 4.692 4.120 0.000 0.000 0.300 294 V C -1.983 174.262 176.094 0.252 0.000 1.251 294 V CA -0.747 61.614 62.300 0.101 0.000 0.972 294 V CB 1.793 33.612 31.823 -0.008 0.000 1.065 294 V HN 0.886 nan 8.190 nan 0.000 0.431 295 I N 5.303 126.033 120.570 0.268 0.000 2.389 295 I HA 0.510 4.680 4.170 0.000 0.000 0.288 295 I C -0.203 176.147 176.117 0.388 0.000 0.999 295 I CA -0.600 60.877 61.300 0.294 0.000 1.129 295 I CB 1.688 39.802 38.000 0.190 0.000 1.288 295 I HN 0.523 nan 8.210 nan 0.000 0.444 296 K N 5.981 126.648 120.400 0.444 0.000 2.227 296 K HA 0.559 4.879 4.320 0.000 0.000 0.280 296 K C -1.392 175.321 176.600 0.188 0.000 1.041 296 K CA -0.292 56.231 56.287 0.393 0.000 0.905 296 K CB 0.864 33.662 32.500 0.496 0.000 1.068 296 K HN 0.695 nan 8.250 nan 0.000 0.470 297 C N 5.392 124.758 119.300 0.110 0.000 2.441 297 C HA 0.563 5.023 4.460 0.000 0.000 0.318 297 C C -0.830 174.183 174.990 0.038 0.000 1.222 297 C CA -1.086 57.976 59.018 0.074 0.000 1.474 297 C CB 0.055 27.955 27.740 0.268 0.000 2.125 297 C HN 0.733 nan 8.230 nan 0.000 0.479 298 I N 3.094 123.627 120.570 -0.062 0.000 2.410 298 I HA 0.416 4.586 4.170 0.000 0.000 0.286 298 I C -0.252 175.864 176.117 -0.002 0.000 1.009 298 I CA -0.114 61.132 61.300 -0.091 0.000 1.111 298 I CB 1.426 39.331 38.000 -0.158 0.000 1.262 298 I HN 0.355 nan 8.210 nan 0.000 0.443 299 V N 6.799 126.739 119.914 0.044 0.000 2.394 299 V HA 0.379 4.499 4.120 0.000 0.000 0.282 299 V C -0.603 175.365 176.094 -0.210 0.000 1.031 299 V CA -0.677 61.682 62.300 0.099 0.000 0.881 299 V CB 0.844 32.775 31.823 0.179 0.000 0.982 299 V HN 0.403 nan 8.190 nan 0.000 0.451 300 Y N 4.113 124.384 120.300 -0.048 0.000 2.387 300 Y HA 0.666 5.216 4.550 0.000 0.000 0.330 300 Y C -0.249 175.526 175.900 -0.209 0.000 1.133 300 Y CA -0.406 57.707 58.100 0.021 0.000 1.152 300 Y CB 1.328 39.890 38.460 0.170 0.000 1.215 300 Y HN 0.528 nan 8.280 nan 0.000 0.466 301 Y N -0.160 120.394 120.300 0.424 0.000 2.605 301 Y HA 0.285 4.835 4.550 0.000 0.000 0.343 301 Y C 1.132 177.179 175.900 0.246 0.000 1.036 301 Y CA -1.411 56.907 58.100 0.363 0.000 1.065 301 Y CB 1.868 40.636 38.460 0.513 0.000 1.288 301 Y HN 0.504 nan 8.280 nan 0.000 0.481 302 K N 0.403 121.020 120.400 0.362 0.000 2.057 302 K HA -0.060 4.260 4.320 0.000 0.000 0.207 302 K C -0.566 176.109 176.600 0.125 0.000 1.049 302 K CA 1.684 58.079 56.287 0.180 0.000 0.931 302 K CB 0.202 32.781 32.500 0.133 0.000 0.714 302 K HN 0.750 nan 8.250 nan 0.000 0.440 303 E N -0.706 119.586 120.200 0.153 0.000 2.408 303 E HA 0.211 4.561 4.350 0.000 0.000 0.275 303 E C -2.681 173.796 176.600 -0.206 0.000 0.935 303 E CA -2.310 54.086 56.400 -0.006 0.000 0.775 303 E CB 2.282 31.968 29.700 -0.024 0.000 1.277 303 E HN -0.033 nan 8.360 nan 0.000 0.455 304 P HA 0.045 nan 4.420 nan 0.000 0.225 304 P C 0.259 176.648 177.300 -1.518 0.000 1.813 304 P CA -0.075 62.109 63.100 -1.527 0.000 1.013 304 P CB -0.872 30.225 31.700 -1.005 0.000 1.961 305 F N 0.240 119.639 119.950 -0.918 0.000 2.250 305 F HA -0.137 4.390 4.527 0.000 0.000 0.301 305 F C 1.758 177.389 175.800 -0.283 0.000 1.077 305 F CA 0.093 57.836 58.000 -0.427 0.000 1.348 305 F CB -1.741 37.138 39.000 -0.203 0.000 1.040 305 F HN 0.135 nan 8.300 nan 0.000 0.509 306 W N 1.387 122.320 121.300 -0.611 0.000 2.374 306 W HA 0.004 4.664 4.660 0.000 0.000 0.288 306 W C 2.066 178.528 176.519 -0.094 0.000 1.218 306 W CA 0.973 58.169 57.345 -0.250 0.000 1.245 306 W CB -1.161 28.079 29.460 -0.366 0.000 1.126 306 W HN -0.131 nan 8.180 nan 0.000 0.545 307 R N 1.154 121.423 120.500 -0.385 0.000 2.127 307 R HA -0.098 4.242 4.340 0.000 0.000 0.238 307 R C 2.088 178.304 176.300 -0.140 0.000 1.134 307 R CA 1.733 57.718 56.100 -0.191 0.000 0.975 307 R CB -0.466 29.662 30.300 -0.287 0.000 0.865 307 R HN 0.287 nan 8.270 nan 0.000 0.447 308 K N 0.682 120.993 120.400 -0.149 0.000 2.283 308 K HA -0.098 4.222 4.320 0.000 0.000 0.202 308 K C 1.366 177.903 176.600 -0.106 0.000 1.048 308 K CA 0.959 57.187 56.287 -0.099 0.000 0.948 308 K CB 0.082 32.542 32.500 -0.066 0.000 0.742 308 K HN 0.140 nan 8.250 nan 0.000 0.458 309 K N 0.830 121.147 120.400 -0.138 0.000 2.417 309 K HA -0.035 4.285 4.320 0.000 0.000 0.196 309 K C -0.439 175.848 176.600 -0.522 0.000 1.023 309 K CA 0.079 56.182 56.287 -0.306 0.000 1.122 309 K CB 0.267 32.570 32.500 -0.328 0.000 0.850 309 K HN 0.009 nan 8.250 nan 0.000 0.521 310 D N 0.156 120.386 120.400 -0.284 0.000 2.746 310 D HA -0.216 4.424 4.640 0.000 0.000 0.236 310 D C -1.425 174.790 176.300 -0.141 0.000 1.129 310 D CA 0.869 54.755 54.000 -0.191 0.000 0.691 310 D CB -1.399 39.307 40.800 -0.156 0.000 1.077 310 D HN 0.338 nan 8.370 nan 0.000 0.432 311 Y N -0.787 119.546 120.300 0.056 0.000 2.352 311 Y HA 0.312 4.862 4.550 0.000 0.000 0.339 311 Y C 2.029 178.001 175.900 0.120 0.000 0.992 311 Y CA -0.938 57.198 58.100 0.059 0.000 1.100 311 Y CB 1.291 39.797 38.460 0.076 0.000 1.192 311 Y HN 0.261 nan 8.280 nan 0.000 0.458 312 C N -0.852 118.566 119.300 0.198 0.000 2.468 312 C HA 0.421 4.881 4.460 0.000 0.000 0.277 312 C C 1.719 176.775 174.990 0.110 0.000 1.400 312 C CA 0.652 59.759 59.018 0.148 0.000 1.770 312 C CB -0.906 26.849 27.740 0.024 0.000 1.905 312 C HN 1.219 nan 8.230 nan 0.000 0.519 313 G N -0.362 108.351 108.800 -0.145 0.000 2.229 313 G HA2 -0.115 3.845 3.960 0.000 0.000 0.189 313 G HA3 -0.115 3.845 3.960 0.000 0.000 0.189 313 G C 0.007 174.579 174.900 -0.547 0.000 1.000 313 G CA 0.163 44.864 45.100 -0.664 0.000 0.663 313 G HN 0.559 nan 8.290 nan 0.000 0.493 314 T N 2.204 116.538 114.554 -0.366 0.000 2.814 314 T HA 0.635 4.985 4.350 0.000 0.000 0.297 314 T C 0.270 174.775 174.700 -0.324 0.000 0.956 314 T CA 0.587 62.453 62.100 -0.389 0.000 1.123 314 T CB 0.880 69.579 68.868 -0.282 0.000 0.902 314 T HN 0.280 nan 8.240 nan 0.000 0.528 315 M N 3.996 123.388 119.600 -0.346 0.000 2.263 315 M HA 0.468 4.948 4.480 0.000 0.000 0.295 315 M C -0.981 175.332 176.300 0.022 0.000 1.028 315 M CA -0.544 54.670 55.300 -0.142 0.000 0.921 315 M CB 2.197 34.679 32.600 -0.198 0.000 1.601 315 M HN 0.419 nan 8.290 nan 0.000 0.440 316 I N 4.897 125.629 120.570 0.271 0.000 2.328 316 I HA 0.431 4.601 4.170 0.000 0.000 0.287 316 I C -0.788 175.599 176.117 0.449 0.000 1.012 316 I CA -0.263 61.306 61.300 0.449 0.000 1.195 316 I CB 0.775 39.082 38.000 0.511 0.000 1.350 316 I HN 0.595 nan 8.210 nan 0.000 0.464 317 I N 5.263 126.050 120.570 0.363 0.000 2.390 317 I HA 0.291 4.461 4.170 0.000 0.000 0.283 317 I C -0.619 175.671 176.117 0.288 0.000 1.016 317 I CA -0.505 60.979 61.300 0.308 0.000 1.151 317 I CB 1.347 39.466 38.000 0.198 0.000 1.293 317 I HN 0.430 nan 8.210 nan 0.000 0.458 318 D N 5.009 125.578 120.400 0.282 0.000 2.177 318 D HA 0.729 5.369 4.640 0.000 0.000 0.247 318 D C -0.073 176.339 176.300 0.186 0.000 1.063 318 D CA 0.199 54.332 54.000 0.222 0.000 0.867 318 D CB 1.891 42.816 40.800 0.208 0.000 1.168 318 D HN 0.805 nan 8.370 nan 0.000 0.445 319 G N 2.857 111.749 108.800 0.154 0.000 2.312 319 G HA2 -0.018 3.942 3.960 0.000 0.000 0.322 319 G HA3 -0.018 3.942 3.960 0.000 0.000 0.322 319 G C 0.366 175.339 174.900 0.123 0.000 1.645 319 G CA -0.259 44.920 45.100 0.130 0.000 0.919 319 G HN 0.364 nan 8.290 nan 0.000 0.699 320 E N 0.614 120.881 120.200 0.111 0.000 2.153 320 E HA -0.092 4.258 4.350 0.000 0.000 0.194 320 E C 2.072 178.733 176.600 0.101 0.000 0.988 320 E CA 2.448 58.922 56.400 0.123 0.000 0.811 320 E CB 0.149 29.917 29.700 0.113 0.000 0.746 320 E HN 0.618 nan 8.360 nan 0.000 0.466 321 E N 0.482 120.732 120.200 0.084 0.000 2.150 321 E HA 0.061 4.411 4.350 0.000 0.000 0.193 321 E C 0.459 177.090 176.600 0.052 0.000 0.985 321 E CA 0.945 57.383 56.400 0.064 0.000 0.814 321 E CB -0.487 29.250 29.700 0.061 0.000 0.752 321 E HN 0.294 nan 8.360 nan 0.000 0.466 322 A N 2.735 125.596 122.820 0.069 0.000 2.484 322 A HA 0.155 4.475 4.320 0.000 0.000 0.268 322 A C -1.366 176.245 177.584 0.044 0.000 1.114 322 A CA -1.052 51.018 52.037 0.055 0.000 0.780 322 A CB 0.112 19.166 19.000 0.089 0.000 1.061 322 A HN 0.004 nan 8.150 nan 0.000 0.505 323 P HA -0.049 nan 4.420 nan 0.000 0.218 323 P C 0.274 177.607 177.300 0.055 0.000 1.149 323 P CA 0.978 64.085 63.100 0.012 0.000 0.817 323 P CB 0.066 31.756 31.700 -0.018 0.000 0.785 324 V N 0.128 120.094 119.914 0.087 0.000 2.459 324 V HA 0.479 4.599 4.120 0.000 0.000 0.295 324 V C 1.176 177.391 176.094 0.202 0.000 1.029 324 V CA -0.077 62.326 62.300 0.172 0.000 0.874 324 V CB 1.333 33.289 31.823 0.221 0.000 0.985 324 V HN -0.018 nan 8.190 nan 0.000 0.438 325 A N 4.265 127.236 122.820 0.251 0.000 2.252 325 A HA 0.354 4.674 4.320 0.000 0.000 0.213 325 A C 0.094 177.914 177.584 0.392 0.000 1.188 325 A CA 0.464 52.669 52.037 0.280 0.000 0.863 325 A CB 0.208 19.356 19.000 0.246 0.000 0.893 325 A HN 0.742 nan 8.150 nan 0.000 0.495 326 Y N -0.017 120.417 120.300 0.223 0.000 2.442 326 Y HA 0.473 5.023 4.550 0.000 0.000 0.330 326 Y C -0.406 175.557 175.900 0.106 0.000 1.100 326 Y CA -0.456 57.762 58.100 0.197 0.000 1.034 326 Y CB 1.577 40.209 38.460 0.287 0.000 1.285 326 Y HN 0.128 nan 8.280 nan 0.000 0.440 327 T N 3.885 118.132 114.554 -0.512 0.000 2.906 327 T HA 0.876 5.226 4.350 0.000 0.000 0.295 327 T C -1.500 172.754 174.700 -0.743 0.000 1.075 327 T CA -0.831 60.949 62.100 -0.533 0.000 1.005 327 T CB 1.859 70.405 68.868 -0.538 0.000 1.136 327 T HN 0.593 nan 8.240 nan 0.000 0.498 328 L N 1.070 121.985 121.223 -0.513 0.000 2.409 328 L HA 0.492 4.832 4.340 0.000 0.000 0.262 328 L C -0.605 176.070 176.870 -0.324 0.000 0.992 328 L CA -1.262 53.342 54.840 -0.393 0.000 0.817 328 L CB 2.191 44.100 42.059 -0.249 0.000 1.350 328 L HN 0.738 nan 8.230 nan 0.000 0.411 329 D N 1.024 121.268 120.400 -0.261 0.000 2.472 329 D HA -0.058 4.582 4.640 0.000 0.000 0.248 329 D C -0.228 176.085 176.300 0.021 0.000 1.174 329 D CA 0.661 54.589 54.000 -0.119 0.000 0.883 329 D CB 1.082 41.936 40.800 0.090 0.000 1.149 329 D HN 0.511 nan 8.370 nan 0.000 0.488 330 D N 1.889 122.307 120.400 0.030 0.000 2.501 330 D HA 0.073 4.713 4.640 0.000 0.000 0.224 330 D C -0.360 176.015 176.300 0.126 0.000 1.202 330 D CA -0.172 53.872 54.000 0.073 0.000 0.829 330 D CB 0.372 41.155 40.800 -0.029 0.000 1.023 330 D HN 0.229 nan 8.370 nan 0.000 0.499 331 T N 1.626 116.296 114.554 0.194 0.000 2.946 331 T HA 0.006 4.356 4.350 0.000 0.000 0.311 331 T C 0.551 175.323 174.700 0.120 0.000 1.063 331 T CA -0.079 62.134 62.100 0.189 0.000 1.139 331 T CB 0.758 69.744 68.868 0.196 0.000 0.994 331 T HN -0.056 nan 8.240 nan 0.000 0.547 332 K N 3.983 124.419 120.400 0.061 0.000 2.380 332 K HA 0.059 4.379 4.320 0.000 0.000 0.267 332 K C -1.395 175.103 176.600 -0.169 0.000 0.990 332 K CA -1.748 54.480 56.287 -0.098 0.000 0.946 332 K CB 0.163 32.633 32.500 -0.052 0.000 0.937 332 K HN 0.353 nan 8.250 nan 0.000 0.491 333 P HA -0.105 nan 4.420 nan 0.000 0.222 333 P C 0.304 177.528 177.300 -0.126 0.000 1.147 333 P CA 1.221 64.118 63.100 -0.338 0.000 0.790 333 P CB 0.358 31.721 31.700 -0.563 0.000 0.780 334 E N -0.732 119.414 120.200 -0.090 0.000 2.347 334 E HA 0.118 4.468 4.350 0.000 0.000 0.196 334 E C 1.606 178.200 176.600 -0.009 0.000 1.008 334 E CA 1.089 57.474 56.400 -0.025 0.000 0.852 334 E CB -0.751 28.955 29.700 0.010 0.000 0.783 334 E HN 0.315 nan 8.360 nan 0.000 0.505 335 G N 0.534 109.332 108.800 -0.004 0.000 2.179 335 G HA2 -0.259 3.701 3.960 0.000 0.000 0.220 335 G HA3 -0.259 3.701 3.960 0.000 0.000 0.220 335 G C 0.059 174.963 174.900 0.007 0.000 0.990 335 G CA 0.160 45.257 45.100 -0.005 0.000 0.646 335 G HN 0.348 nan 8.290 nan 0.000 0.517 336 N N -0.657 118.073 118.700 0.050 0.000 2.530 336 N HA 0.545 5.285 4.740 0.000 0.000 0.283 336 N C 0.503 176.129 175.510 0.193 0.000 1.238 336 N CA -0.879 52.190 53.050 0.032 0.000 0.971 336 N CB 0.017 38.461 38.487 -0.071 0.000 1.195 336 N HN 0.583 nan 8.380 nan 0.000 0.583 337 Y N -2.805 117.531 120.300 0.061 0.000 3.168 337 Y HA -0.172 4.378 4.550 0.000 0.000 0.207 337 Y C 0.598 176.642 175.900 0.240 0.000 1.280 337 Y CA 0.285 58.475 58.100 0.151 0.000 1.235 337 Y CB -2.367 36.148 38.460 0.091 0.000 1.370 337 Y HN 0.769 nan 8.280 nan 0.000 0.537 338 A N 0.293 123.282 122.820 0.282 0.000 2.587 338 A HA 0.533 4.853 4.320 0.000 0.000 0.235 338 A C 0.760 178.606 177.584 0.435 0.000 1.044 338 A CA 0.680 52.898 52.037 0.302 0.000 0.754 338 A CB 0.084 19.191 19.000 0.178 0.000 0.968 338 A HN 1.562 nan 8.150 nan 0.000 0.509 339 A N 2.374 125.461 122.820 0.445 0.000 2.594 339 A HA 0.608 4.928 4.320 0.000 0.000 0.296 339 A C -1.018 176.563 177.584 -0.005 0.000 1.061 339 A CA -0.536 51.569 52.037 0.114 0.000 0.689 339 A CB 0.944 19.700 19.000 -0.407 0.000 1.280 339 A HN 0.732 nan 8.150 nan 0.000 0.406 340 I N 2.660 123.126 120.570 -0.174 0.000 2.406 340 I HA 0.384 4.554 4.170 0.000 0.000 0.290 340 I C -0.193 175.773 176.117 -0.253 0.000 0.999 340 I CA -0.403 60.657 61.300 -0.398 0.000 1.124 340 I CB 1.671 39.284 38.000 -0.645 0.000 1.289 340 I HN 0.761 nan 8.210 nan 0.000 0.441 341 M N 5.614 125.058 119.600 -0.261 0.000 2.209 341 M HA 0.618 5.098 4.480 0.000 0.000 0.355 341 M C -0.358 175.789 176.300 -0.254 0.000 1.171 341 M CA -0.154 55.019 55.300 -0.211 0.000 1.069 341 M CB 1.192 33.687 32.600 -0.175 0.000 1.622 341 M HN 0.709 nan 8.290 nan 0.000 0.459 342 G N 4.443 113.146 108.800 -0.161 0.000 2.620 342 G HA2 0.686 4.646 3.960 0.000 0.000 0.301 342 G HA3 0.686 4.646 3.960 0.000 0.000 0.301 342 G C -1.985 172.873 174.900 -0.069 0.000 1.347 342 G CA -0.533 44.524 45.100 -0.071 0.000 0.971 342 G HN 0.658 nan 8.290 nan 0.000 0.488 343 F N 0.664 120.759 119.950 0.243 0.000 2.436 343 F HA 0.508 5.035 4.527 0.000 0.000 0.340 343 F C 0.489 176.400 175.800 0.185 0.000 1.113 343 F CA -0.759 57.385 58.000 0.240 0.000 1.022 343 F CB 2.216 41.389 39.000 0.289 0.000 1.128 343 F HN 0.057 nan 8.300 nan 0.000 0.466 344 I N 5.242 126.024 120.570 0.352 0.000 2.312 344 I HA 0.303 4.473 4.170 0.000 0.000 0.290 344 I C -0.714 175.489 176.117 0.143 0.000 1.008 344 I CA -0.363 61.055 61.300 0.196 0.000 1.226 344 I CB 0.954 39.038 38.000 0.139 0.000 1.371 344 I HN 0.386 nan 8.210 nan 0.000 0.468 345 L N 6.281 127.546 121.223 0.070 0.000 2.334 345 L HA 0.720 5.060 4.340 0.000 0.000 0.276 345 L C 0.957 177.788 176.870 -0.065 0.000 1.014 345 L CA -0.279 54.562 54.840 0.002 0.000 0.815 345 L CB 1.580 43.648 42.059 0.015 0.000 1.268 345 L HN 0.901 nan 8.230 nan 0.000 0.428 346 A N 2.077 124.853 122.820 -0.073 0.000 5.318 346 A HA -0.370 3.950 4.320 0.000 0.000 0.329 346 A C 1.729 179.301 177.584 -0.020 0.000 1.789 346 A CA 1.675 53.678 52.037 -0.057 0.000 0.711 346 A CB -1.635 17.329 19.000 -0.060 0.000 1.398 346 A HN 1.098 nan 8.150 nan 0.000 0.392 347 H N 0.977 120.036 119.070 -0.018 0.000 2.457 347 H HA -0.047 4.509 4.556 0.000 0.000 0.297 347 H C 1.678 177.022 175.328 0.026 0.000 1.092 347 H CA 1.880 57.936 56.048 0.012 0.000 1.309 347 H CB -0.387 29.392 29.762 0.027 0.000 1.382 347 H HN 0.743 nan 8.280 nan 0.000 0.535 348 K N 0.718 120.766 120.400 -0.585 0.000 2.148 348 K HA 0.069 4.389 4.320 0.000 0.000 0.204 348 K C 2.597 179.133 176.600 -0.106 0.000 1.050 348 K CA 0.877 56.953 56.287 -0.352 0.000 0.942 348 K CB 0.038 32.347 32.500 -0.318 0.000 0.724 348 K HN 0.326 nan 8.250 nan 0.000 0.446 349 A N 1.545 124.330 122.820 -0.058 0.000 1.902 349 A HA -0.175 4.145 4.320 0.000 0.000 0.217 349 A C 2.080 179.676 177.584 0.020 0.000 1.181 349 A CA 1.397 53.441 52.037 0.012 0.000 0.623 349 A CB -0.301 18.720 19.000 0.035 0.000 0.818 349 A HN 0.115 nan 8.150 nan 0.000 0.443 350 R N -0.269 120.243 120.500 0.019 0.000 2.073 350 R HA -0.070 4.270 4.340 0.000 0.000 0.234 350 R C 2.317 178.636 176.300 0.033 0.000 1.134 350 R CA 1.854 57.974 56.100 0.035 0.000 0.952 350 R CB -0.337 29.996 30.300 0.055 0.000 0.850 350 R HN 0.633 nan 8.270 nan 0.000 0.433 351 K N 0.453 120.870 120.400 0.030 0.000 2.002 351 K HA -0.084 4.236 4.320 0.000 0.000 0.209 351 K C 1.550 178.163 176.600 0.021 0.000 1.048 351 K CA 1.370 57.678 56.287 0.035 0.000 0.930 351 K CB -0.031 32.496 32.500 0.045 0.000 0.714 351 K HN 0.128 nan 8.250 nan 0.000 0.438 352 L N 0.264 121.494 121.223 0.011 0.000 2.558 352 L HA 0.111 4.451 4.340 0.000 0.000 0.225 352 L C 2.208 179.092 176.870 0.025 0.000 1.128 352 L CA 0.212 55.061 54.840 0.015 0.000 0.868 352 L CB -0.118 41.947 42.059 0.011 0.000 1.006 352 L HN 0.215 nan 8.230 nan 0.000 0.454 353 A N 0.695 123.531 122.820 0.027 0.000 2.019 353 A HA -0.184 4.136 4.320 0.000 0.000 0.219 353 A C 2.380 179.977 177.584 0.022 0.000 1.164 353 A CA 1.195 53.249 52.037 0.029 0.000 0.644 353 A CB -0.369 18.648 19.000 0.027 0.000 0.805 353 A HN 0.369 nan 8.150 nan 0.000 0.449 354 R N -0.570 119.941 120.500 0.019 0.000 2.127 354 R HA -0.003 4.337 4.340 0.000 0.000 0.238 354 R C 0.313 176.621 176.300 0.013 0.000 1.134 354 R CA 0.472 56.580 56.100 0.015 0.000 0.975 354 R CB -0.586 29.723 30.300 0.014 0.000 0.865 354 R HN 0.452 nan 8.270 nan 0.000 0.447 355 L N 0.821 122.052 121.223 0.014 0.000 2.476 355 L HA 0.076 4.416 4.340 0.000 0.000 0.255 355 L C 1.036 177.915 176.870 0.015 0.000 1.218 355 L CA -0.411 54.435 54.840 0.010 0.000 0.819 355 L CB 0.321 42.383 42.059 0.005 0.000 1.119 355 L HN 0.158 nan 8.230 nan 0.000 0.485 356 T N -2.733 111.827 114.554 0.010 0.000 2.849 356 T HA 0.108 4.458 4.350 0.000 0.000 0.284 356 T C 0.891 175.608 174.700 0.029 0.000 1.004 356 T CA -0.683 61.427 62.100 0.017 0.000 1.021 356 T CB 1.269 70.142 68.868 0.008 0.000 1.013 356 T HN 0.658 nan 8.240 nan 0.000 0.527 357 K N 0.421 120.855 120.400 0.056 0.000 2.044 357 K HA -0.226 4.094 4.320 0.000 0.000 0.210 357 K C 1.944 178.565 176.600 0.035 0.000 1.049 357 K CA 2.016 58.374 56.287 0.118 0.000 0.927 357 K CB -0.218 32.371 32.500 0.149 0.000 0.713 357 K HN 0.700 nan 8.250 nan 0.000 0.443 358 E N 0.708 120.906 120.200 -0.003 0.000 2.077 358 E HA -0.170 4.180 4.350 0.000 0.000 0.193 358 E C 1.828 178.371 176.600 -0.095 0.000 0.989 358 E CA 1.544 57.908 56.400 -0.059 0.000 0.800 358 E CB -0.015 29.668 29.700 -0.029 0.000 0.746 358 E HN 0.419 nan 8.360 nan 0.000 0.452 359 E N 0.185 120.349 120.200 -0.059 0.000 2.072 359 E HA -0.110 4.240 4.350 0.000 0.000 0.191 359 E C 2.149 178.695 176.600 -0.090 0.000 0.985 359 E CA 0.683 57.046 56.400 -0.062 0.000 0.801 359 E CB -0.036 29.645 29.700 -0.032 0.000 0.750 359 E HN 0.126 nan 8.360 nan 0.000 0.452 360 R N 0.341 120.791 120.500 -0.083 0.000 2.081 360 R HA -0.141 4.199 4.340 0.000 0.000 0.235 360 R C 2.487 178.631 176.300 -0.261 0.000 1.131 360 R CA 0.903 56.943 56.100 -0.099 0.000 0.960 360 R CB -0.365 29.945 30.300 0.016 0.000 0.856 360 R HN 0.130 nan 8.270 nan 0.000 0.436 361 L N 1.708 122.649 121.223 -0.471 0.000 2.042 361 L HA -0.203 4.137 4.340 0.000 0.000 0.210 361 L C 2.193 178.841 176.870 -0.369 0.000 1.076 361 L CA 1.897 56.306 54.840 -0.718 0.000 0.749 361 L CB -0.437 41.126 42.059 -0.827 0.000 0.893 361 L HN -0.006 nan 8.230 nan 0.000 0.432 362 K N -0.440 119.816 120.400 -0.239 0.000 2.032 362 K HA -0.227 4.093 4.320 0.000 0.000 0.209 362 K C 2.205 178.716 176.600 -0.149 0.000 1.048 362 K CA 1.820 58.016 56.287 -0.152 0.000 0.927 362 K CB -0.109 32.330 32.500 -0.101 0.000 0.712 362 K HN 0.326 nan 8.250 nan 0.000 0.441 363 K N 0.138 120.447 120.400 -0.152 0.000 2.097 363 K HA -0.143 4.177 4.320 0.000 0.000 0.206 363 K C 2.077 178.546 176.600 -0.219 0.000 1.049 363 K CA 1.144 57.347 56.287 -0.140 0.000 0.933 363 K CB -0.077 32.361 32.500 -0.103 0.000 0.717 363 K HN 0.049 nan 8.250 nan 0.000 0.442 364 L N 0.610 121.649 121.223 -0.307 0.000 2.056 364 L HA -0.197 4.143 4.340 0.000 0.000 0.207 364 L C 2.385 178.839 176.870 -0.692 0.000 1.078 364 L CA 1.498 55.995 54.840 -0.571 0.000 0.749 364 L CB -0.624 41.132 42.059 -0.506 0.000 0.901 364 L HN 0.231 nan 8.230 nan 0.000 0.433 365 C N -0.701 118.403 119.300 -0.327 0.000 2.429 365 C HA -0.142 4.318 4.460 0.000 0.000 0.277 365 C C 2.628 177.590 174.990 -0.046 0.000 1.262 365 C CA 0.536 59.505 59.018 -0.081 0.000 1.733 365 C CB -0.775 26.972 27.740 0.011 0.000 2.010 365 C HN 0.549 nan 8.230 nan 0.000 0.483 366 E N 0.375 120.520 120.200 -0.092 0.000 2.106 366 E HA -0.203 4.147 4.350 0.000 0.000 0.192 366 E C 1.984 178.553 176.600 -0.052 0.000 0.984 366 E CA 0.884 57.255 56.400 -0.049 0.000 0.806 366 E CB -0.241 29.429 29.700 -0.050 0.000 0.750 366 E HN 0.515 nan 8.360 nan 0.000 0.458 367 L N 0.331 121.476 121.223 -0.129 0.000 1.994 367 L HA -0.197 4.143 4.340 0.000 0.000 0.208 367 L C 2.010 178.887 176.870 0.012 0.000 1.071 367 L CA 1.750 56.525 54.840 -0.108 0.000 0.745 367 L CB -0.638 41.315 42.059 -0.176 0.000 0.892 367 L HN 0.198 nan 8.230 nan 0.000 0.431 368 Y N -0.587 119.700 120.300 -0.022 0.000 2.224 368 Y HA -0.262 4.288 4.550 0.000 0.000 0.289 368 Y C 2.551 178.466 175.900 0.024 0.000 1.146 368 Y CA 0.354 58.447 58.100 -0.012 0.000 1.182 368 Y CB -0.575 37.918 38.460 0.055 0.000 0.983 368 Y HN 0.401 nan 8.280 nan 0.000 0.524 369 A N 0.630 123.568 122.820 0.196 0.000 1.883 369 A HA -0.273 4.047 4.320 0.000 0.000 0.217 369 A C 2.176 179.813 177.584 0.088 0.000 1.186 369 A CA 2.111 54.226 52.037 0.129 0.000 0.624 369 A CB -0.662 18.386 19.000 0.079 0.000 0.822 369 A HN 0.421 nan 8.150 nan 0.000 0.444 370 K N -0.437 119.993 120.400 0.049 0.000 2.025 370 K HA -0.086 4.234 4.320 0.000 0.000 0.207 370 K C 1.841 178.448 176.600 0.012 0.000 1.049 370 K CA 1.641 57.947 56.287 0.032 0.000 0.933 370 K CB -0.276 32.230 32.500 0.011 0.000 0.714 370 K HN 0.231 nan 8.250 nan 0.000 0.438 371 V N 1.598 121.461 119.914 -0.085 0.000 2.343 371 V HA -0.215 3.905 4.120 0.000 0.000 0.247 371 V C 2.093 178.148 176.094 -0.066 0.000 1.051 371 V CA 1.521 63.730 62.300 -0.152 0.000 1.036 371 V CB -0.309 31.364 31.823 -0.250 0.000 0.654 371 V HN 0.314 nan 8.190 nan 0.000 0.451 372 L N 0.408 121.626 121.223 -0.008 0.000 2.591 372 L HA 0.313 4.653 4.340 0.000 0.000 0.228 372 L C 1.634 178.640 176.870 0.226 0.000 1.133 372 L CA 0.655 55.529 54.840 0.057 0.000 0.880 372 L CB -0.663 41.510 42.059 0.191 0.000 1.033 372 L HN 0.517 nan 8.230 nan 0.000 0.450 373 G N 0.708 109.599 108.800 0.152 0.000 2.356 373 G HA2 -0.271 3.689 3.960 0.000 0.000 0.296 373 G HA3 -0.271 3.689 3.960 0.000 0.000 0.296 373 G C 0.000 174.986 174.900 0.144 0.000 1.022 373 G CA 0.545 45.731 45.100 0.144 0.000 0.961 373 G HN 0.342 nan 8.290 nan 0.000 0.510 374 S N -0.709 115.073 115.700 0.137 0.000 2.779 374 S HA 0.430 4.900 4.470 0.000 0.000 0.293 374 S C 1.233 175.822 174.600 -0.018 0.000 1.150 374 S CA -0.734 57.517 58.200 0.085 0.000 1.057 374 S CB 1.554 64.886 63.200 0.221 0.000 1.021 374 S HN 0.265 nan 8.310 nan 0.000 0.485 375 L N 2.122 123.312 121.223 -0.054 0.000 2.265 375 L HA -0.125 4.215 4.340 0.000 0.000 0.215 375 L C 2.203 178.980 176.870 -0.155 0.000 1.117 375 L CA 1.256 56.054 54.840 -0.070 0.000 0.782 375 L CB -0.307 41.722 42.059 -0.050 0.000 0.914 375 L HN 0.675 nan 8.230 nan 0.000 0.441 376 E N 0.266 120.254 120.200 -0.354 0.000 2.204 376 E HA -0.210 4.140 4.350 0.000 0.000 0.195 376 E C 2.241 178.491 176.600 -0.583 0.000 0.990 376 E CA 0.973 57.011 56.400 -0.604 0.000 0.821 376 E CB -0.152 28.865 29.700 -1.138 0.000 0.750 376 E HN 0.525 nan 8.360 nan 0.000 0.477 377 A N 0.841 123.405 122.820 -0.425 0.000 2.125 377 A HA -0.099 4.221 4.320 0.000 0.000 0.219 377 A C 1.906 179.683 177.584 0.323 0.000 1.156 377 A CA 0.745 52.843 52.037 0.102 0.000 0.671 377 A CB -0.352 18.838 19.000 0.318 0.000 0.794 377 A HN 0.166 nan 8.150 nan 0.000 0.459 378 L N -1.145 120.159 121.223 0.136 0.000 2.591 378 L HA 0.103 4.443 4.340 0.000 0.000 0.228 378 L C 0.484 177.434 176.870 0.134 0.000 1.133 378 L CA 0.282 55.193 54.840 0.119 0.000 0.880 378 L CB -0.061 42.025 42.059 0.045 0.000 1.033 378 L HN 0.224 nan 8.230 nan 0.000 0.450 379 E N 0.727 121.058 120.200 0.218 0.000 3.351 379 E HA 0.173 4.523 4.350 0.000 0.000 0.220 379 E C -2.216 174.542 176.600 0.263 0.000 1.150 379 E CA -1.721 54.793 56.400 0.190 0.000 1.359 379 E CB 0.517 30.288 29.700 0.119 0.000 1.365 379 E HN 0.088 nan 8.360 nan 0.000 0.434 380 P HA -0.049 nan 4.420 nan 0.000 0.272 380 P C 0.802 178.117 177.300 0.025 0.000 1.223 380 P CA 0.021 63.052 63.100 -0.115 0.000 0.784 380 P CB 1.592 33.193 31.700 -0.165 0.000 0.923 381 V N -1.810 118.141 119.914 0.061 0.000 3.565 381 V HA 0.303 4.423 4.120 0.000 0.000 0.260 381 V C 0.491 176.709 176.094 0.206 0.000 1.231 381 V CA 0.812 63.190 62.300 0.130 0.000 1.100 381 V CB -1.182 30.724 31.823 0.137 0.000 0.807 381 V HN 0.677 nan 8.190 nan 0.000 0.454 382 H N -1.214 117.921 119.070 0.109 0.000 2.987 382 H HA 0.618 5.174 4.556 0.000 0.000 0.316 382 H C -2.278 173.259 175.328 0.349 0.000 1.380 382 H CA -0.717 55.416 56.048 0.140 0.000 1.160 382 H CB 1.908 31.647 29.762 -0.038 0.000 1.865 382 H HN 0.160 nan 8.280 nan 0.000 0.521 383 Y N 1.452 121.499 120.300 -0.422 0.000 2.482 383 Y HA 0.497 5.047 4.550 0.000 0.000 0.334 383 Y C -1.725 174.059 175.900 -0.193 0.000 1.091 383 Y CA -0.580 57.447 58.100 -0.121 0.000 1.027 383 Y CB 1.706 40.103 38.460 -0.104 0.000 1.306 383 Y HN 0.620 nan 8.280 nan 0.000 0.446 384 E N 4.310 124.249 120.200 -0.435 0.000 2.317 384 E HA 0.437 4.787 4.350 0.000 0.000 0.270 384 E C -1.465 174.757 176.600 -0.630 0.000 0.885 384 E CA -0.820 55.343 56.400 -0.395 0.000 0.760 384 E CB 2.805 32.506 29.700 0.003 0.000 1.227 384 E HN 0.772 nan 8.360 nan 0.000 0.434 385 E N 0.299 120.259 120.200 -0.399 0.000 2.430 385 E HA 0.658 5.008 4.350 0.000 0.000 0.279 385 E C -1.229 175.330 176.600 -0.069 0.000 1.003 385 E CA -1.065 55.193 56.400 -0.236 0.000 0.801 385 E CB 2.553 32.103 29.700 -0.251 0.000 1.313 385 E HN 0.180 nan 8.360 nan 0.000 0.459 386 K N 1.274 121.678 120.400 0.008 0.000 2.581 386 K HA 0.268 4.588 4.320 0.000 0.000 0.249 386 K C -1.590 174.978 176.600 -0.053 0.000 0.966 386 K CA -0.737 55.494 56.287 -0.092 0.000 0.811 386 K CB 1.472 33.873 32.500 -0.164 0.000 1.223 386 K HN 0.520 nan 8.250 nan 0.000 0.438 387 N N 4.054 122.690 118.700 -0.107 0.000 2.437 387 N HA 0.093 4.833 4.740 0.000 0.000 0.243 387 N C -0.207 175.247 175.510 -0.094 0.000 1.041 387 N CA -0.326 52.719 53.050 -0.009 0.000 0.940 387 N CB 0.341 38.830 38.487 0.003 0.000 1.133 387 N HN 0.645 nan 8.380 nan 0.000 0.506 388 W N 2.226 123.566 121.300 0.067 0.000 2.800 388 W HA 0.055 4.715 4.660 0.000 0.000 0.249 388 W C 1.967 178.503 176.519 0.027 0.000 1.294 388 W CA -0.069 57.309 57.345 0.055 0.000 1.402 388 W CB -0.178 29.330 29.460 0.080 0.000 1.126 388 W HN 0.591 nan 8.180 nan 0.000 0.652 389 C N 0.488 119.893 119.300 0.175 0.000 2.422 389 C HA -0.156 4.304 4.460 0.000 0.000 0.286 389 C C 2.332 177.347 174.990 0.043 0.000 1.412 389 C CA 1.397 60.473 59.018 0.098 0.000 1.786 389 C CB -1.518 26.264 27.740 0.069 0.000 1.835 389 C HN 0.498 nan 8.230 nan 0.000 0.533 390 E N 0.749 120.953 120.200 0.006 0.000 2.478 390 E HA -0.001 4.349 4.350 0.000 0.000 0.194 390 E C -0.073 176.496 176.600 -0.051 0.000 1.045 390 E CA 0.330 56.710 56.400 -0.034 0.000 0.868 390 E CB -0.185 29.480 29.700 -0.058 0.000 0.885 390 E HN 0.478 nan 8.360 nan 0.000 0.505 391 E N 2.253 122.440 120.200 -0.022 0.000 2.070 391 E HA -0.020 4.330 4.350 0.000 0.000 0.282 391 E C 0.499 177.078 176.600 -0.034 0.000 1.104 391 E CA 0.046 56.438 56.400 -0.014 0.000 0.876 391 E CB 1.435 31.188 29.700 0.088 0.000 1.055 391 E HN 0.364 nan 8.360 nan 0.000 0.401 392 Q N 2.916 122.629 119.800 -0.145 0.000 2.135 392 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 392 Q C 0.388 176.157 176.000 -0.385 0.000 0.981 392 Q CA 1.641 57.242 55.803 -0.338 0.000 0.856 392 Q CB 0.082 28.475 28.738 -0.575 0.000 0.902 392 Q HN 0.606 nan 8.270 nan 0.000 0.425 393 Y N -1.074 119.253 120.300 0.044 0.000 2.524 393 Y HA 0.237 4.787 4.550 0.000 0.000 0.266 393 Y C 1.501 177.460 175.900 0.097 0.000 1.180 393 Y CA -0.312 57.824 58.100 0.059 0.000 1.244 393 Y CB 0.886 39.373 38.460 0.045 0.000 1.125 393 Y HN 0.069 nan 8.280 nan 0.000 0.524 394 S N -1.663 114.160 115.700 0.205 0.000 2.931 394 S HA 0.287 4.757 4.470 0.000 0.000 0.251 394 S C 1.815 176.495 174.600 0.134 0.000 1.078 394 S CA 0.565 58.893 58.200 0.213 0.000 0.835 394 S CB 0.629 64.043 63.200 0.357 0.000 0.798 394 S HN 0.529 nan 8.310 nan 0.000 0.495 395 G N 1.013 109.873 108.800 0.099 0.000 2.217 395 G HA2 0.095 4.055 3.960 0.000 0.000 0.246 395 G HA3 0.095 4.055 3.960 0.000 0.000 0.246 395 G C 0.505 175.444 174.900 0.065 0.000 0.990 395 G CA 0.061 45.188 45.100 0.045 0.000 0.627 395 G HN 1.396 nan 8.290 nan 0.000 0.522 396 G N -2.338 106.542 108.800 0.133 0.000 2.362 396 G HA2 0.512 4.472 3.960 0.000 0.000 0.288 396 G HA3 0.512 4.472 3.960 0.000 0.000 0.288 396 G C -0.950 174.026 174.900 0.126 0.000 1.305 396 G CA 0.292 45.475 45.100 0.139 0.000 0.910 396 G HN 1.520 nan 8.290 nan 0.000 0.518 397 C N -1.608 117.715 119.300 0.038 0.000 3.307 397 C HA 0.582 5.042 4.460 0.000 0.000 0.333 397 C C 0.757 175.578 174.990 -0.281 0.000 1.291 397 C CA -0.657 58.309 59.018 -0.088 0.000 1.273 397 C CB 0.761 28.364 27.740 -0.228 0.000 1.580 397 C HN 0.746 nan 8.230 nan 0.000 0.481 398 Y N 0.625 120.858 120.300 -0.112 0.000 2.395 398 Y HA 0.237 4.787 4.550 0.000 0.000 0.293 398 Y C 1.559 177.423 175.900 -0.061 0.000 1.123 398 Y CA 1.100 59.103 58.100 -0.161 0.000 1.227 398 Y CB -0.353 37.986 38.460 -0.201 0.000 1.012 398 Y HN 0.679 nan 8.280 nan 0.000 0.552 399 T N -1.901 112.730 114.554 0.129 0.000 2.665 399 T HA 0.331 4.681 4.350 0.000 0.000 0.303 399 T C -0.844 173.953 174.700 0.161 0.000 1.334 399 T CA -0.716 61.501 62.100 0.194 0.000 1.011 399 T CB 1.052 70.131 68.868 0.351 0.000 1.573 399 T HN -0.155 nan 8.240 nan 0.000 0.492 400 T N 2.657 117.321 114.554 0.183 0.000 2.851 400 T HA 0.478 4.828 4.350 0.000 0.000 0.298 400 T C -0.796 173.917 174.700 0.021 0.000 0.977 400 T CA 0.040 62.150 62.100 0.017 0.000 1.126 400 T CB -0.389 68.477 68.868 -0.004 0.000 0.916 400 T HN 0.462 nan 8.240 nan 0.000 0.529 401 Y N 1.087 121.168 120.300 -0.365 0.000 2.496 401 Y HA 0.791 5.341 4.550 0.000 0.000 0.331 401 Y C -1.249 174.071 175.900 -0.966 0.000 1.140 401 Y CA -2.234 55.291 58.100 -0.958 0.000 1.166 401 Y CB 0.746 38.785 38.460 -0.700 0.000 1.249 401 Y HN 0.407 nan 8.280 nan 0.000 0.479 402 F N 3.221 122.381 119.950 -1.317 0.000 2.402 402 F HA 0.571 5.098 4.527 0.000 0.000 0.355 402 F C -2.301 173.401 175.800 -0.164 0.000 1.123 402 F CA -2.659 54.964 58.000 -0.629 0.000 1.021 402 F CB 1.571 40.252 39.000 -0.532 0.000 1.160 402 F HN 0.365 nan 8.300 nan 0.000 0.451 403 P HA 0.123 nan 4.420 nan 0.000 0.273 403 P C -2.537 174.868 177.300 0.175 0.000 1.250 403 P CA -1.179 62.010 63.100 0.147 0.000 0.793 403 P CB -0.116 31.621 31.700 0.061 0.000 1.011 404 P HA -0.050 nan 4.420 nan 0.000 0.264 404 P C 0.878 178.272 177.300 0.157 0.000 1.183 404 P CA 1.285 64.488 63.100 0.172 0.000 0.763 404 P CB -0.064 31.718 31.700 0.137 0.000 0.807 405 G N 2.866 111.771 108.800 0.177 0.000 2.217 405 G HA2 -0.262 3.698 3.960 0.000 0.000 0.246 405 G HA3 -0.262 3.698 3.960 0.000 0.000 0.246 405 G C 0.792 175.811 174.900 0.198 0.000 0.990 405 G CA 0.102 45.297 45.100 0.158 0.000 0.627 405 G HN 0.435 nan 8.290 nan 0.000 0.522 406 I N 0.174 120.893 120.570 0.248 0.000 2.494 406 I HA 0.175 4.345 4.170 0.000 0.000 0.250 406 I C 2.614 178.974 176.117 0.404 0.000 1.112 406 I CA 1.247 62.752 61.300 0.342 0.000 1.438 406 I CB -1.189 36.947 38.000 0.226 0.000 1.111 406 I HN 0.269 nan 8.210 nan 0.000 0.431 407 L N 1.210 122.639 121.223 0.343 0.000 2.083 407 L HA -0.200 4.140 4.340 0.000 0.000 0.209 407 L C 2.614 179.549 176.870 0.108 0.000 1.083 407 L CA 2.448 57.346 54.840 0.097 0.000 0.752 407 L CB -0.922 41.076 42.059 -0.102 0.000 0.899 407 L HN 0.426 nan 8.230 nan 0.000 0.433 408 T N -4.400 110.234 114.554 0.132 0.000 2.904 408 T HA -0.130 4.220 4.350 0.000 0.000 0.267 408 T C 1.797 176.462 174.700 -0.057 0.000 1.059 408 T CA 0.879 63.032 62.100 0.088 0.000 1.137 408 T CB -0.285 68.640 68.868 0.095 0.000 0.879 408 T HN 0.352 nan 8.240 nan 0.000 0.467 409 Q N -0.175 119.593 119.800 -0.053 0.000 2.163 409 Q HA 0.129 4.469 4.340 0.000 0.000 0.198 409 Q C 1.053 176.749 176.000 -0.507 0.000 0.954 409 Q CA 1.147 56.781 55.803 -0.282 0.000 0.851 409 Q CB 0.037 28.610 28.738 -0.276 0.000 0.928 409 Q HN 0.765 nan 8.270 nan 0.000 0.459 410 Y N -1.720 118.515 120.300 -0.107 0.000 2.448 410 Y HA 0.262 4.812 4.550 0.000 0.000 0.257 410 Y C 2.006 177.795 175.900 -0.184 0.000 1.089 410 Y CA 0.092 58.115 58.100 -0.128 0.000 1.245 410 Y CB 0.232 38.661 38.460 -0.051 0.000 1.282 410 Y HN 0.085 nan 8.280 nan 0.000 0.529 411 G N 1.743 110.476 108.800 -0.111 0.000 2.442 411 G HA2 -0.284 3.676 3.960 0.000 0.000 0.219 411 G HA3 -0.284 3.676 3.960 0.000 0.000 0.219 411 G C 1.775 176.278 174.900 -0.662 0.000 1.141 411 G CA 1.201 46.156 45.100 -0.241 0.000 0.763 411 G HN 0.389 nan 8.290 nan 0.000 0.554 412 R N 0.742 120.533 120.500 -1.181 0.000 2.193 412 R HA -0.029 4.311 4.340 0.000 0.000 0.229 412 R C 2.131 178.191 176.300 -0.399 0.000 1.110 412 R CA 1.703 57.130 56.100 -1.121 0.000 0.988 412 R CB -0.870 28.800 30.300 -1.050 0.000 0.871 412 R HN 0.584 nan 8.270 nan 0.000 0.458 413 V N -1.958 117.789 119.914 -0.278 0.000 3.649 413 V HA 0.108 4.228 4.120 0.000 0.000 0.275 413 V C 2.088 178.090 176.094 -0.155 0.000 1.281 413 V CA 0.164 62.365 62.300 -0.165 0.000 1.143 413 V CB -0.313 31.422 31.823 -0.146 0.000 0.892 413 V HN 0.151 nan 8.190 nan 0.000 0.441 414 L N 1.631 122.800 121.223 -0.090 0.000 2.021 414 L HA -0.181 4.159 4.340 0.000 0.000 0.215 414 L C 2.756 179.580 176.870 -0.076 0.000 1.074 414 L CA 2.755 57.567 54.840 -0.048 0.000 0.760 414 L CB -0.055 42.072 42.059 0.114 0.000 0.889 414 L HN 0.570 nan 8.230 nan 0.000 0.433 415 R N -0.944 119.602 120.500 0.078 0.000 2.577 415 R HA 0.155 4.495 4.340 0.000 0.000 0.344 415 R C 0.460 176.912 176.300 0.254 0.000 1.037 415 R CA -0.247 55.985 56.100 0.220 0.000 1.102 415 R CB -0.060 30.432 30.300 0.320 0.000 1.313 415 R HN 0.213 nan 8.270 nan 0.000 0.561 416 Q N 2.648 122.521 119.800 0.121 0.000 2.286 416 Q HA 0.203 4.543 4.340 0.000 0.000 0.267 416 Q C -2.097 174.021 176.000 0.197 0.000 1.028 416 Q CA -2.078 53.796 55.803 0.118 0.000 0.901 416 Q CB 0.856 29.606 28.738 0.019 0.000 1.183 416 Q HN 0.041 nan 8.270 nan 0.000 0.392 417 P HA -0.045 nan 4.420 nan 0.000 0.269 417 P C -1.255 176.035 177.300 -0.017 0.000 1.209 417 P CA -0.060 62.974 63.100 -0.109 0.000 0.776 417 P CB 0.663 32.024 31.700 -0.565 0.000 0.876 418 V N 3.380 123.290 119.914 -0.006 0.000 2.275 418 V HA 0.144 4.264 4.120 0.000 0.000 0.272 418 V C 0.691 176.743 176.094 -0.070 0.000 1.028 418 V CA 0.139 62.441 62.300 0.002 0.000 0.810 418 V CB 0.020 31.889 31.823 0.077 0.000 1.043 418 V HN 0.784 nan 8.190 nan 0.000 0.453 419 D N 4.072 124.436 120.400 -0.061 0.000 4.372 419 D HA -0.309 4.331 4.640 0.000 0.000 0.169 419 D C 1.361 177.642 176.300 -0.032 0.000 0.680 419 D CA 2.434 56.417 54.000 -0.028 0.000 1.152 419 D CB -0.270 40.527 40.800 -0.004 0.000 0.585 419 D HN 0.561 nan 8.370 nan 0.000 0.493 420 R N -0.142 120.368 120.500 0.016 0.000 2.432 420 R HA 0.442 4.782 4.340 0.000 0.000 0.260 420 R C -0.154 176.243 176.300 0.162 0.000 0.935 420 R CA -0.163 56.047 56.100 0.183 0.000 1.080 420 R CB 0.420 30.776 30.300 0.093 0.000 1.155 420 R HN 0.297 nan 8.270 nan 0.000 0.531 421 I N 1.280 121.789 120.570 -0.103 0.000 2.342 421 I HA 0.198 4.368 4.170 0.000 0.000 0.291 421 I C -0.566 175.187 176.117 -0.607 0.000 1.010 421 I CA -0.561 60.592 61.300 -0.245 0.000 1.308 421 I CB 0.606 38.432 38.000 -0.289 0.000 1.400 421 I HN -0.084 nan 8.210 nan 0.000 0.488 422 Y N 5.363 125.411 120.300 -0.421 0.000 2.487 422 Y HA 0.543 5.093 4.550 0.000 0.000 0.337 422 Y C -0.518 175.058 175.900 -0.541 0.000 1.076 422 Y CA -0.704 57.183 58.100 -0.356 0.000 1.115 422 Y CB 1.564 39.945 38.460 -0.132 0.000 1.235 422 Y HN 0.282 nan 8.280 nan 0.000 0.468 423 F N 1.319 121.379 119.950 0.183 0.000 2.449 423 F HA 0.725 5.252 4.527 0.000 0.000 0.342 423 F C 0.401 176.280 175.800 0.132 0.000 1.127 423 F CA -0.567 57.514 58.000 0.135 0.000 0.975 423 F CB 1.202 40.265 39.000 0.105 0.000 1.146 423 F HN 0.600 nan 8.300 nan 0.000 0.444 424 A N 2.196 125.171 122.820 0.258 0.000 3.521 424 A HA 0.966 5.286 4.320 0.000 0.000 0.181 424 A C 0.287 178.001 177.584 0.218 0.000 1.386 424 A CA -0.462 51.690 52.037 0.191 0.000 0.873 424 A CB 0.149 19.218 19.000 0.114 0.000 1.634 424 A HN 1.516 nan 8.150 nan 0.000 0.551 425 G N -2.415 106.491 108.800 0.178 0.000 2.785 425 G HA2 0.110 4.070 3.960 0.000 0.000 0.686 425 G HA3 0.110 4.070 3.960 0.000 0.000 0.686 425 G C 0.422 175.451 174.900 0.215 0.000 1.155 425 G CA 0.621 45.833 45.100 0.186 0.000 0.760 425 G HN 1.564 nan 8.290 nan 0.000 0.624 426 T N 0.240 114.922 114.554 0.212 0.000 2.822 426 T HA -0.124 4.226 4.350 0.000 0.000 0.270 426 T C 2.100 176.998 174.700 0.329 0.000 1.064 426 T CA 2.723 64.976 62.100 0.254 0.000 1.131 426 T CB -0.171 68.844 68.868 0.244 0.000 0.858 426 T HN 0.627 nan 8.240 nan 0.000 0.483 427 E N 0.423 120.822 120.200 0.332 0.000 2.265 427 E HA -0.059 4.291 4.350 0.000 0.000 0.196 427 E C 2.205 179.060 176.600 0.425 0.000 0.996 427 E CA 1.502 58.149 56.400 0.412 0.000 0.832 427 E CB -0.155 29.749 29.700 0.340 0.000 0.756 427 E HN 0.711 nan 8.360 nan 0.000 0.491 428 T N -2.659 112.109 114.554 0.356 0.000 3.086 428 T HA 0.465 4.815 4.350 0.000 0.000 0.250 428 T C 0.774 175.712 174.700 0.397 0.000 1.074 428 T CA -0.015 62.298 62.100 0.355 0.000 0.988 428 T CB 0.235 69.289 68.868 0.311 0.000 0.988 428 T HN 0.091 nan 8.240 nan 0.000 0.530 429 A N 1.730 124.788 122.820 0.397 0.000 2.346 429 A HA 0.547 4.867 4.320 0.000 0.000 0.252 429 A C 1.484 179.337 177.584 0.448 0.000 1.089 429 A CA 0.097 52.370 52.037 0.394 0.000 0.797 429 A CB 0.366 19.557 19.000 0.319 0.000 1.047 429 A HN 0.504 nan 8.150 nan 0.000 0.494 430 T N -2.477 112.319 114.554 0.403 0.000 3.044 430 T HA 0.241 4.591 4.350 0.000 0.000 0.260 430 T C 0.232 175.040 174.700 0.179 0.000 1.019 430 T CA 0.628 62.919 62.100 0.318 0.000 0.921 430 T CB -0.378 68.620 68.868 0.217 0.000 1.053 430 T HN 0.746 nan 8.240 nan 0.000 0.533 431 H N -1.007 118.094 119.070 0.052 0.000 3.018 431 H HA 0.276 4.832 4.556 0.000 0.000 0.334 431 H C -1.002 174.352 175.328 0.042 0.000 0.983 431 H CA -1.135 54.871 56.048 -0.069 0.000 1.363 431 H CB 0.865 30.645 29.762 0.031 0.000 1.668 431 H HN 0.308 nan 8.280 nan 0.000 0.513 432 W N 2.205 123.276 121.300 -0.382 0.000 5.121 432 W HA -0.249 4.411 4.660 0.000 0.000 0.372 432 W C 0.482 176.939 176.519 -0.102 0.000 1.394 432 W CA 0.917 57.991 57.345 -0.451 0.000 0.885 432 W CB -1.687 27.420 29.460 -0.587 0.000 2.520 432 W HN 0.387 nan 8.180 nan 0.000 1.455 433 S N 0.470 116.214 115.700 0.073 0.000 2.558 433 S HA 0.371 4.841 4.470 0.000 0.000 0.293 433 S C 1.406 176.219 174.600 0.355 0.000 1.292 433 S CA 1.774 60.128 58.200 0.256 0.000 1.063 433 S CB 0.737 64.153 63.200 0.360 0.000 0.831 433 S HN 1.414 nan 8.310 nan 0.000 0.499 434 G N 3.042 112.125 108.800 0.472 0.000 2.232 434 G HA2 -0.204 3.756 3.960 0.000 0.000 0.226 434 G HA3 -0.204 3.756 3.960 0.000 0.000 0.226 434 G C -0.206 174.814 174.900 0.200 0.000 0.996 434 G CA 0.243 45.623 45.100 0.467 0.000 0.626 434 G HN 0.681 nan 8.290 nan 0.000 0.509 435 Y N -0.487 119.928 120.300 0.192 0.000 2.621 435 Y HA 0.713 5.263 4.550 0.000 0.000 0.334 435 Y C 1.960 177.902 175.900 0.070 0.000 1.074 435 Y CA -0.738 57.426 58.100 0.106 0.000 1.149 435 Y CB 0.898 39.411 38.460 0.087 0.000 1.302 435 Y HN -0.025 nan 8.280 nan 0.000 0.501 436 M N -0.093 119.617 119.600 0.183 0.000 2.106 436 M HA -0.225 4.255 4.480 0.000 0.000 0.259 436 M C 1.869 178.231 176.300 0.103 0.000 1.068 436 M CA 2.044 57.416 55.300 0.120 0.000 1.100 436 M CB -0.249 32.415 32.600 0.106 0.000 1.351 436 M HN 0.791 nan 8.290 nan 0.000 0.404 437 E N 0.665 120.900 120.200 0.059 0.000 2.049 437 E HA -0.163 4.187 4.350 0.000 0.000 0.198 437 E C 1.947 178.608 176.600 0.102 0.000 1.007 437 E CA 2.128 58.529 56.400 0.001 0.000 0.809 437 E CB -0.715 28.851 29.700 -0.224 0.000 0.749 437 E HN 0.441 nan 8.360 nan 0.000 0.450 438 G N 0.092 109.004 108.800 0.187 0.000 2.422 438 G HA2 -0.238 3.722 3.960 0.000 0.000 0.218 438 G HA3 -0.238 3.722 3.960 0.000 0.000 0.218 438 G C 1.728 176.743 174.900 0.192 0.000 1.146 438 G CA 1.254 46.488 45.100 0.222 0.000 0.769 438 G HN 0.486 nan 8.290 nan 0.000 0.547 439 A N 0.184 123.106 122.820 0.169 0.000 1.908 439 A HA 0.017 4.337 4.320 0.000 0.000 0.218 439 A C 2.616 180.261 177.584 0.102 0.000 1.181 439 A CA 2.012 54.130 52.037 0.135 0.000 0.627 439 A CB -0.643 18.425 19.000 0.114 0.000 0.818 439 A HN 0.286 nan 8.150 nan 0.000 0.445 440 V N 0.057 120.023 119.914 0.087 0.000 2.358 440 V HA -0.244 3.876 4.120 0.000 0.000 0.246 440 V C 2.537 178.669 176.094 0.064 0.000 1.047 440 V CA 2.145 64.481 62.300 0.060 0.000 1.035 440 V CB -0.753 31.098 31.823 0.046 0.000 0.658 440 V HN 0.755 nan 8.190 nan 0.000 0.452 441 E N 0.612 120.870 120.200 0.096 0.000 2.058 441 E HA -0.261 4.089 4.350 0.000 0.000 0.194 441 E C 2.213 178.852 176.600 0.065 0.000 0.997 441 E CA 1.702 58.167 56.400 0.108 0.000 0.801 441 E CB -0.162 29.651 29.700 0.187 0.000 0.746 441 E HN 0.546 nan 8.360 nan 0.000 0.450 442 A N 0.659 123.540 122.820 0.101 0.000 1.929 442 A HA -0.021 4.299 4.320 0.000 0.000 0.216 442 A C 2.395 179.999 177.584 0.033 0.000 1.176 442 A CA 1.545 53.633 52.037 0.084 0.000 0.628 442 A CB -0.923 18.174 19.000 0.163 0.000 0.816 442 A HN 0.442 nan 8.150 nan 0.000 0.444 443 G N -0.312 108.512 108.800 0.040 0.000 2.404 443 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 443 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 443 G C 1.428 176.312 174.900 -0.026 0.000 1.174 443 G CA 0.933 46.043 45.100 0.018 0.000 0.780 443 G HN 0.635 nan 8.290 nan 0.000 0.537 444 E N -0.198 119.982 120.200 -0.033 0.000 2.106 444 E HA -0.067 4.283 4.350 0.000 0.000 0.192 444 E C 2.566 179.088 176.600 -0.130 0.000 0.984 444 E CA 0.227 56.590 56.400 -0.062 0.000 0.806 444 E CB -0.084 29.594 29.700 -0.035 0.000 0.750 444 E HN 0.202 nan 8.360 nan 0.000 0.458 445 R N 1.251 121.638 120.500 -0.189 0.000 2.066 445 R HA -0.081 4.259 4.340 0.000 0.000 0.232 445 R C 2.135 178.255 176.300 -0.301 0.000 1.131 445 R CA 1.439 57.311 56.100 -0.380 0.000 0.955 445 R CB -0.347 29.552 30.300 -0.667 0.000 0.851 445 R HN 0.144 nan 8.270 nan 0.000 0.432 446 A N 0.950 123.669 122.820 -0.168 0.000 1.883 446 A HA -0.105 4.215 4.320 0.000 0.000 0.217 446 A C 2.440 179.915 177.584 -0.182 0.000 1.186 446 A CA 1.992 53.969 52.037 -0.099 0.000 0.624 446 A CB -0.827 18.174 19.000 0.001 0.000 0.822 446 A HN 0.509 nan 8.150 nan 0.000 0.444 447 A N -0.208 122.522 122.820 -0.150 0.000 1.883 447 A HA -0.205 4.115 4.320 0.000 0.000 0.217 447 A C 2.254 179.715 177.584 -0.205 0.000 1.186 447 A CA 1.669 53.610 52.037 -0.161 0.000 0.624 447 A CB -0.500 18.441 19.000 -0.099 0.000 0.822 447 A HN 0.559 nan 8.150 nan 0.000 0.444 448 R N -0.540 119.846 120.500 -0.191 0.000 2.148 448 R HA -0.082 4.258 4.340 0.000 0.000 0.227 448 R C 2.036 178.215 176.300 -0.201 0.000 1.103 448 R CA 1.227 57.222 56.100 -0.176 0.000 0.983 448 R CB -0.268 29.938 30.300 -0.157 0.000 0.874 448 R HN 0.684 nan 8.270 nan 0.000 0.451 449 E N 0.687 120.727 120.200 -0.267 0.000 2.085 449 E HA -0.189 4.161 4.350 0.000 0.000 0.194 449 E C 1.954 178.244 176.600 -0.516 0.000 0.994 449 E CA 1.104 57.334 56.400 -0.284 0.000 0.801 449 E CB -0.062 29.500 29.700 -0.230 0.000 0.743 449 E HN 0.339 nan 8.360 nan 0.000 0.453 450 I N 0.858 121.002 120.570 -0.710 0.000 2.252 450 I HA -0.266 3.904 4.170 0.000 0.000 0.245 450 I C 2.309 178.109 176.117 -0.529 0.000 1.102 450 I CA 0.824 61.609 61.300 -0.858 0.000 1.385 450 I CB -0.170 37.378 38.000 -0.753 0.000 1.064 450 I HN 0.115 nan 8.210 nan 0.000 0.414 451 L N 0.004 121.041 121.223 -0.310 0.000 2.042 451 L HA -0.292 4.048 4.340 0.000 0.000 0.210 451 L C 2.725 179.520 176.870 -0.125 0.000 1.076 451 L CA 1.666 56.399 54.840 -0.179 0.000 0.749 451 L CB -0.941 41.051 42.059 -0.112 0.000 0.893 451 L HN 0.364 nan 8.230 nan 0.000 0.432 452 H N 0.083 119.040 119.070 -0.188 0.000 2.357 452 H HA -0.102 4.454 4.556 0.000 0.000 0.301 452 H C 2.120 177.384 175.328 -0.108 0.000 1.082 452 H CA 1.443 57.421 56.048 -0.117 0.000 1.342 452 H CB 0.069 29.781 29.762 -0.082 0.000 1.389 452 H HN 0.260 nan 8.280 nan 0.000 0.511 453 A N 0.360 123.004 122.820 -0.294 0.000 1.972 453 A HA -0.128 4.192 4.320 0.000 0.000 0.219 453 A C 2.252 179.727 177.584 -0.183 0.000 1.169 453 A CA 1.690 53.568 52.037 -0.266 0.000 0.635 453 A CB -0.582 18.247 19.000 -0.286 0.000 0.810 453 A HN 0.557 nan 8.150 nan 0.000 0.446 454 M N -1.382 118.099 119.600 -0.199 0.000 2.618 454 M HA 0.165 4.645 4.480 0.000 0.000 0.240 454 M C 1.284 177.541 176.300 -0.073 0.000 1.123 454 M CA 0.764 56.023 55.300 -0.068 0.000 1.060 454 M CB 0.228 32.797 32.600 -0.052 0.000 1.535 454 M HN 0.606 nan 8.290 nan 0.000 0.507 455 G N 1.157 109.875 108.800 -0.136 0.000 2.147 455 G HA2 -0.269 3.691 3.960 0.000 0.000 0.244 455 G HA3 -0.269 3.691 3.960 0.000 0.000 0.244 455 G C 0.789 175.657 174.900 -0.053 0.000 1.005 455 G CA 0.451 45.487 45.100 -0.106 0.000 0.713 455 G HN 0.471 nan 8.290 nan 0.000 0.515 456 K N -0.544 119.826 120.400 -0.051 0.000 2.314 456 K HA 0.353 4.673 4.320 0.000 0.000 0.198 456 K C 1.321 177.919 176.600 -0.004 0.000 1.045 456 K CA 1.223 57.493 56.287 -0.027 0.000 0.988 456 K CB 0.312 32.789 32.500 -0.038 0.000 0.783 456 K HN 0.800 nan 8.250 nan 0.000 0.484 457 I N -1.801 118.783 120.570 0.022 0.000 2.865 457 I HA 0.473 4.643 4.170 0.000 0.000 0.302 457 I C -2.974 173.228 176.117 0.143 0.000 1.140 457 I CA -3.004 58.329 61.300 0.055 0.000 1.021 457 I CB 2.321 40.339 38.000 0.031 0.000 1.233 457 I HN -0.253 nan 8.210 nan 0.000 0.427 458 P HA 0.125 nan 4.420 nan 0.000 0.276 458 P C 0.263 177.600 177.300 0.061 0.000 1.252 458 P CA -0.051 63.132 63.100 0.138 0.000 0.802 458 P CB 1.191 32.933 31.700 0.069 0.000 1.035 459 E N 0.943 121.106 120.200 -0.062 0.000 2.097 459 E HA -0.265 4.085 4.350 0.000 0.000 0.196 459 E C 0.951 177.470 176.600 -0.135 0.000 1.000 459 E CA 1.839 58.011 56.400 -0.380 0.000 0.804 459 E CB -0.191 29.353 29.700 -0.259 0.000 0.740 459 E HN 0.491 nan 8.360 nan 0.000 0.454 460 D N -0.183 120.198 120.400 -0.032 0.000 2.392 460 D HA -0.145 4.495 4.640 0.000 0.000 0.228 460 D C 0.903 177.226 176.300 0.039 0.000 1.003 460 D CA 0.684 54.696 54.000 0.019 0.000 0.917 460 D CB -0.262 40.552 40.800 0.022 0.000 0.890 460 D HN 0.342 nan 8.370 nan 0.000 0.532 461 E N -0.533 119.675 120.200 0.014 0.000 2.481 461 E HA 0.196 4.546 4.350 0.000 0.000 0.198 461 E C 1.811 178.406 176.600 -0.009 0.000 1.027 461 E CA -0.272 56.138 56.400 0.016 0.000 0.900 461 E CB 0.299 30.006 29.700 0.010 0.000 0.993 461 E HN 0.301 nan 8.360 nan 0.000 0.482 462 I N 0.063 120.615 120.570 -0.030 0.000 2.142 462 I HA -0.188 3.982 4.170 0.000 0.000 0.240 462 I C 0.485 176.471 176.117 -0.219 0.000 1.078 462 I CA 1.168 62.386 61.300 -0.136 0.000 1.343 462 I CB 0.042 37.956 38.000 -0.143 0.000 1.046 462 I HN 0.095 nan 8.210 nan 0.000 0.405 463 W N 1.824 123.120 121.300 -0.007 0.000 2.335 463 W HA 0.473 5.133 4.660 -0.000 0.000 0.307 463 W C -0.241 176.283 176.519 0.009 0.000 1.117 463 W CA -0.259 57.093 57.345 0.013 0.000 1.228 463 W CB 0.572 30.041 29.460 0.016 0.000 1.240 463 W HN -0.028 nan 8.180 nan 0.000 0.468 464 Q N 2.104 122.017 119.800 0.187 0.000 2.337 464 Q HA 0.361 4.701 4.340 0.000 0.000 0.270 464 Q C 0.085 176.160 176.000 0.125 0.000 1.043 464 Q CA -0.798 55.078 55.803 0.122 0.000 0.794 464 Q CB 2.300 31.074 28.738 0.060 0.000 1.281 464 Q HN 0.538 nan 8.270 nan 0.000 0.446 465 S N 1.250 117.009 115.700 0.098 0.000 2.584 465 S HA 0.251 4.721 4.470 0.000 0.000 0.270 465 S C -0.149 174.494 174.600 0.072 0.000 1.346 465 S CA -0.508 57.741 58.200 0.081 0.000 1.018 465 S CB 1.166 64.397 63.200 0.053 0.000 0.899 465 S HN 0.606 nan 8.310 nan 0.000 0.542 466 E N 0.915 121.159 120.200 0.074 0.000 2.199 466 E HA 0.562 4.912 4.350 0.000 0.000 0.265 466 E C -2.824 173.808 176.600 0.053 0.000 0.882 466 E CA -2.154 54.285 56.400 0.065 0.000 0.759 466 E CB 0.997 30.746 29.700 0.082 0.000 1.148 466 E HN 0.530 nan 8.360 nan 0.000 0.412 467 P HA 0.038 nan 4.420 nan 0.000 0.266 467 P C -0.798 176.522 177.300 0.033 0.000 1.195 467 P CA -0.092 63.027 63.100 0.031 0.000 0.768 467 P CB 0.494 32.208 31.700 0.024 0.000 0.838 468 E N 2.050 122.268 120.200 0.030 0.000 2.414 468 E HA 0.055 4.405 4.350 0.000 0.000 0.263 468 E C -0.087 176.525 176.600 0.020 0.000 1.000 468 E CA -0.262 56.155 56.400 0.028 0.000 0.914 468 E CB 0.374 30.088 29.700 0.024 0.000 0.948 468 E HN 0.364 nan 8.360 nan 0.000 0.444 469 S N 2.904 118.614 115.700 0.016 0.000 2.552 469 S HA -0.054 4.416 4.470 0.000 0.000 0.289 469 S C 1.107 175.712 174.600 0.008 0.000 1.304 469 S CA -0.071 58.135 58.200 0.010 0.000 1.063 469 S CB 0.749 63.949 63.200 0.001 0.000 0.848 469 S HN 0.569 nan 8.310 nan 0.000 0.499 470 V N 1.826 121.746 119.914 0.010 0.000 3.129 470 V HA 0.114 4.234 4.120 0.000 0.000 0.259 470 V C 1.328 177.426 176.094 0.008 0.000 1.116 470 V CA 1.257 63.562 62.300 0.009 0.000 1.127 470 V CB -0.449 31.380 31.823 0.010 0.000 0.742 470 V HN 0.798 nan 8.190 nan 0.000 0.474 471 D N 1.047 121.452 120.400 0.008 0.000 2.271 471 D HA 0.116 4.756 4.640 0.000 0.000 0.206 471 D C 0.728 177.026 176.300 -0.004 0.000 0.967 471 D CA 0.996 55.000 54.000 0.007 0.000 0.867 471 D CB 0.910 41.718 40.800 0.014 0.000 0.960 471 D HN 0.505 nan 8.370 nan 0.000 0.509 472 V N 3.970 123.877 119.914 -0.012 0.000 2.313 472 V HA 0.199 4.319 4.120 0.000 0.000 0.262 472 V C -2.382 173.701 176.094 -0.019 0.000 1.011 472 V CA -1.363 60.921 62.300 -0.027 0.000 0.858 472 V CB 1.262 33.052 31.823 -0.055 0.000 1.104 472 V HN -0.051 nan 8.190 nan 0.000 0.456 473 P HA 0.284 nan 4.420 nan 0.000 0.271 473 P C -0.351 176.946 177.300 -0.004 0.000 1.216 473 P CA 0.116 63.214 63.100 -0.003 0.000 0.776 473 P CB 1.432 33.131 31.700 -0.001 0.000 0.881 474 A N 3.734 126.556 122.820 0.004 0.000 2.260 474 A HA 0.263 4.583 4.320 0.000 0.000 0.312 474 A C 0.405 177.994 177.584 0.008 0.000 1.321 474 A CA -0.558 51.485 52.037 0.010 0.000 0.928 474 A CB 0.088 19.105 19.000 0.028 0.000 1.158 474 A HN 0.437 nan 8.150 nan 0.000 0.542 475 Q N 3.001 122.804 119.800 0.004 0.000 2.352 475 Q HA 0.252 4.592 4.340 0.000 0.000 0.260 475 Q C -2.185 173.817 176.000 0.003 0.000 0.976 475 Q CA -1.476 54.328 55.803 0.003 0.000 0.881 475 Q CB 0.515 29.253 28.738 0.000 0.000 1.235 475 Q HN 0.564 nan 8.270 nan 0.000 0.419 476 P HA 0.149 nan 4.420 nan 0.000 0.272 476 P C -0.278 177.018 177.300 -0.007 0.000 1.230 476 P CA -0.326 62.772 63.100 -0.004 0.000 0.788 476 P CB 0.740 32.436 31.700 -0.006 0.000 0.949 477 I N 2.008 122.570 120.570 -0.014 0.000 2.396 477 I HA 0.164 4.334 4.170 0.000 0.000 0.289 477 I C 1.212 177.317 176.117 -0.020 0.000 1.056 477 I CA 0.269 61.559 61.300 -0.017 0.000 1.365 477 I CB 0.043 38.025 38.000 -0.029 0.000 1.407 477 I HN 0.422 nan 8.210 nan 0.000 0.509 478 T N 2.054 116.600 114.554 -0.013 0.000 2.924 478 T HA 0.803 5.153 4.350 0.000 0.000 0.291 478 T C -0.015 174.671 174.700 -0.023 0.000 1.045 478 T CA -0.684 61.408 62.100 -0.014 0.000 1.015 478 T CB 2.250 71.117 68.868 -0.002 0.000 1.103 478 T HN 0.640 nan 8.240 nan 0.000 0.496 479 T N -1.199 113.337 114.554 -0.030 0.000 2.930 479 T HA 0.754 5.104 4.350 0.000 0.000 0.290 479 T C 0.251 174.943 174.700 -0.013 0.000 1.052 479 T CA -0.695 61.378 62.100 -0.045 0.000 1.017 479 T CB 1.335 70.150 68.868 -0.087 0.000 1.137 479 T HN 1.026 nan 8.240 nan 0.000 0.511 480 T N -0.719 113.830 114.554 -0.008 0.000 2.927 480 T HA 0.436 4.786 4.350 0.000 0.000 0.281 480 T C 0.816 175.559 174.700 0.072 0.000 0.998 480 T CA -0.875 61.256 62.100 0.052 0.000 1.019 480 T CB 0.776 69.682 68.868 0.063 0.000 1.061 480 T HN 0.526 nan 8.240 nan 0.000 0.518 481 F N 0.823 120.785 119.950 0.020 0.000 2.091 481 F HA -0.046 4.481 4.527 0.000 0.000 0.299 481 F C 1.924 177.775 175.800 0.085 0.000 1.103 481 F CA 1.498 59.545 58.000 0.079 0.000 1.228 481 F CB -0.495 38.562 39.000 0.096 0.000 0.984 481 F HN 0.512 nan 8.300 nan 0.000 0.477 482 L N -0.113 121.213 121.223 0.172 0.000 2.046 482 L HA -0.210 4.130 4.340 0.000 0.000 0.208 482 L C 2.395 179.248 176.870 -0.029 0.000 1.077 482 L CA 1.692 56.581 54.840 0.081 0.000 0.747 482 L CB -0.782 41.360 42.059 0.139 0.000 0.896 482 L HN 0.166 nan 8.230 nan 0.000 0.432 483 E N -0.178 119.998 120.200 -0.041 0.000 2.110 483 E HA -0.221 4.129 4.350 0.000 0.000 0.193 483 E C 2.368 178.844 176.600 -0.207 0.000 0.988 483 E CA 1.019 57.356 56.400 -0.105 0.000 0.804 483 E CB 0.007 29.642 29.700 -0.109 0.000 0.745 483 E HN 0.379 nan 8.360 nan 0.000 0.458 484 R N -0.385 119.925 120.500 -0.318 0.000 2.075 484 R HA -0.066 4.274 4.340 0.000 0.000 0.232 484 R C 1.680 177.577 176.300 -0.672 0.000 1.126 484 R CA 1.094 56.859 56.100 -0.558 0.000 0.963 484 R CB 0.011 29.833 30.300 -0.796 0.000 0.858 484 R HN 0.314 nan 8.270 nan 0.000 0.435 485 H N -0.953 117.911 119.070 -0.343 0.000 2.986 485 H HA 0.216 4.772 4.556 0.000 0.000 0.267 485 H C 0.345 175.557 175.328 -0.194 0.000 1.072 485 H CA -0.211 55.639 56.048 -0.330 0.000 1.202 485 H CB 0.491 29.906 29.762 -0.579 0.000 1.535 485 H HN 0.026 nan 8.280 nan 0.000 0.522 486 L N 4.415 125.604 121.223 -0.057 0.000 2.485 486 L HA 0.061 4.401 4.340 0.000 0.000 0.275 486 L C -1.635 175.214 176.870 -0.035 0.000 1.207 486 L CA -1.395 53.439 54.840 -0.010 0.000 0.855 486 L CB 0.367 42.451 42.059 0.042 0.000 1.114 486 L HN -0.013 nan 8.230 nan 0.000 0.485 487 P HA 0.108 nan 4.420 nan 0.000 0.274 487 P C -0.602 176.648 177.300 -0.083 0.000 1.237 487 P CA -0.558 62.506 63.100 -0.059 0.000 0.793 487 P CB 1.012 32.677 31.700 -0.058 0.000 0.977 488 S N 0.267 115.896 115.700 -0.118 0.000 2.626 488 S HA 0.095 4.565 4.470 0.000 0.000 0.257 488 S C 1.516 175.975 174.600 -0.235 0.000 1.288 488 S CA -0.550 57.553 58.200 -0.162 0.000 0.980 488 S CB -0.377 62.719 63.200 -0.175 0.000 0.975 488 S HN 0.220 nan 8.310 nan 0.000 0.577 489 V N 2.335 122.041 119.914 -0.346 0.000 2.261 489 V HA -0.064 4.056 4.120 0.000 0.000 0.246 489 V C -0.462 175.217 176.094 -0.692 0.000 1.047 489 V CA 1.873 63.889 62.300 -0.473 0.000 1.015 489 V CB -1.892 29.653 31.823 -0.462 0.000 0.642 489 V HN 0.797 nan 8.190 nan 0.000 0.446 490 P HA -0.091 nan 4.420 nan 0.000 0.221 490 P C 1.751 178.837 177.300 -0.357 0.000 1.150 490 P CA 1.883 64.510 63.100 -0.788 0.000 0.800 490 P CB -0.258 31.054 31.700 -0.646 0.000 0.787 491 G N 0.800 109.435 108.800 -0.275 0.000 2.418 491 G HA2 -0.246 3.714 3.960 0.000 0.000 0.217 491 G HA3 -0.246 3.714 3.960 0.000 0.000 0.217 491 G C 1.520 176.340 174.900 -0.134 0.000 1.158 491 G CA 0.634 45.640 45.100 -0.158 0.000 0.771 491 G HN 0.251 nan 8.290 nan 0.000 0.545 492 L N 0.414 121.544 121.223 -0.155 0.000 2.046 492 L HA 0.120 4.460 4.340 0.000 0.000 0.208 492 L C 2.685 179.493 176.870 -0.104 0.000 1.077 492 L CA 1.306 56.080 54.840 -0.110 0.000 0.747 492 L CB -0.347 41.652 42.059 -0.101 0.000 0.896 492 L HN 0.207 nan 8.230 nan 0.000 0.432 493 L N -0.966 120.166 121.223 -0.152 0.000 2.083 493 L HA -0.194 4.146 4.340 0.000 0.000 0.209 493 L C 2.770 179.596 176.870 -0.073 0.000 1.083 493 L CA 1.201 55.974 54.840 -0.112 0.000 0.752 493 L CB -0.530 41.437 42.059 -0.152 0.000 0.899 493 L HN 0.233 nan 8.230 nan 0.000 0.433 494 R N -0.473 119.977 120.500 -0.084 0.000 2.073 494 R HA -0.167 4.173 4.340 0.000 0.000 0.234 494 R C 2.211 178.489 176.300 -0.037 0.000 1.134 494 R CA 1.120 57.190 56.100 -0.050 0.000 0.952 494 R CB -0.399 29.871 30.300 -0.051 0.000 0.850 494 R HN 0.159 nan 8.270 nan 0.000 0.433 495 L N 0.781 121.979 121.223 -0.043 0.000 2.042 495 L HA -0.174 4.166 4.340 0.000 0.000 0.210 495 L C 2.153 179.010 176.870 -0.022 0.000 1.076 495 L CA 1.593 56.415 54.840 -0.030 0.000 0.749 495 L CB -0.533 41.507 42.059 -0.031 0.000 0.893 495 L HN 0.179 nan 8.230 nan 0.000 0.432 496 I N -1.143 119.411 120.570 -0.026 0.000 2.179 496 I HA -0.224 3.946 4.170 0.000 0.000 0.242 496 I C 2.463 178.574 176.117 -0.010 0.000 1.088 496 I CA 1.430 62.721 61.300 -0.016 0.000 1.357 496 I CB -0.857 37.133 38.000 -0.017 0.000 1.051 496 I HN 0.326 nan 8.210 nan 0.000 0.409 497 G N 0.633 109.426 108.800 -0.011 0.000 2.432 497 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 497 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 497 G C 1.540 176.438 174.900 -0.003 0.000 1.135 497 G CA 0.509 45.606 45.100 -0.004 0.000 0.767 497 G HN 0.155 nan 8.290 nan 0.000 0.550 498 L N 0.838 122.057 121.223 -0.007 0.000 2.131 498 L HA 0.069 4.409 4.340 0.000 0.000 0.206 498 L C 3.070 179.937 176.870 -0.004 0.000 1.087 498 L CA 1.699 56.536 54.840 -0.005 0.000 0.767 498 L CB -0.885 41.169 42.059 -0.008 0.000 0.917 498 L HN 0.130 nan 8.230 nan 0.000 0.441 499 T N -1.660 112.891 114.554 -0.005 0.000 2.821 499 T HA -0.117 4.233 4.350 0.000 0.000 0.267 499 T C 1.158 175.857 174.700 -0.001 0.000 1.046 499 T CA 1.502 63.600 62.100 -0.003 0.000 1.139 499 T CB -0.367 68.499 68.868 -0.004 0.000 0.871 499 T HN 0.272 nan 8.240 nan 0.000 0.454 500 T N 2.030 116.584 114.554 -0.001 0.000 3.624 500 T HA 0.573 4.923 4.350 0.000 0.000 0.231 500 T C 0.178 174.880 174.700 0.002 0.000 0.865 500 T CA -0.007 62.094 62.100 0.001 0.000 0.926 500 T CB -1.481 67.389 68.868 0.003 0.000 1.189 500 T HN 0.476 nan 8.240 nan 0.000 0.640 501 I N 0.000 120.571 120.570 0.001 0.000 2.984 501 I HA 0.000 4.170 4.170 0.000 0.000 0.288 501 I CA 0.000 61.301 61.300 0.002 0.000 1.566 501 I CB 0.000 38.001 38.000 0.002 0.000 1.214 501 I HN 0.000 nan 8.210 nan 0.000 0.494