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 3gwz_1_A DATA FIRST_RESID 11 DATA SEQUENCE GTAARAAAEE TVNDILQGAW KARAIHVAVE LGVPELLQEG PRTATALAEA DATA SEQUENCE TGAHEQTLRR LLRLLATVGV FDDLGHDDLF AQNALSAVLL PDPASPVATD DATA SEQUENCE ARFQAAPWHW RAWEQLTHSV RTGEASFDVA NGTSFWQLTH EDPKARELFN DATA SEQUENCE RAXGSVSLTE AGQVAAAYDF SGAATAVDIG GGRGSLXAAV LDAFPGLRGT DATA SEQUENCE LLERPPVAEE ARELLTGRGL ADRCEILPGD FFETIPDGAD VYLIKHVLHD DATA SEQUENCE WDDDDVVRIL RRIATAXKPD SRLLVIDNLI DERPAASTLF VDLLLLVLVG DATA SEQUENCE GAERSESEFA ALLEKSGLRV ERSLPCGAGP VRIVEIRRA 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.900 174.900 0.000 0.000 0.946 11 G CA 0.000 45.100 45.100 0.000 0.000 0.502 12 T N 2.184 116.738 114.554 0.001 0.000 2.737 12 T HA 0.124 4.474 4.350 -0.000 0.000 0.265 12 T C 2.656 177.357 174.700 0.001 0.000 1.038 12 T CA 2.526 64.627 62.100 0.001 0.000 1.144 12 T CB -0.467 68.402 68.868 0.002 0.000 0.866 12 T HN 0.648 nan 8.240 nan 0.000 0.434 13 A N 1.231 124.052 122.820 0.001 0.000 1.972 13 A HA 0.177 4.497 4.320 -0.000 0.000 0.219 13 A C 2.573 180.157 177.584 -0.000 0.000 1.169 13 A CA 1.773 53.811 52.037 0.001 0.000 0.635 13 A CB -0.927 18.073 19.000 0.001 0.000 0.810 13 A HN 0.503 nan 8.150 nan 0.000 0.446 14 A N -0.154 122.666 122.820 -0.000 0.000 1.898 14 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 14 A C 2.234 179.818 177.584 -0.001 0.000 1.181 14 A CA 1.652 53.688 52.037 -0.001 0.000 0.620 14 A CB -0.462 18.537 19.000 -0.001 0.000 0.819 14 A HN 0.565 nan 8.150 nan 0.000 0.442 15 R N -0.287 120.212 120.500 -0.001 0.000 2.075 15 R HA -0.063 4.277 4.340 -0.000 0.000 0.232 15 R C 2.228 178.527 176.300 -0.002 0.000 1.126 15 R CA 1.466 57.566 56.100 -0.001 0.000 0.963 15 R CB -0.420 29.880 30.300 -0.000 0.000 0.858 15 R HN 0.400 nan 8.270 nan 0.000 0.435 16 A N 0.694 123.514 122.820 -0.001 0.000 1.933 16 A HA -0.082 4.238 4.320 -0.000 0.000 0.218 16 A C 2.343 179.925 177.584 -0.002 0.000 1.175 16 A CA 1.614 53.651 52.037 -0.001 0.000 0.628 16 A CB -0.719 18.281 19.000 0.001 0.000 0.814 16 A HN 0.555 nan 8.150 nan 0.000 0.444 17 A N -0.200 122.618 122.820 -0.003 0.000 1.930 17 A HA 0.211 4.531 4.320 -0.000 0.000 0.217 17 A C 2.484 180.064 177.584 -0.007 0.000 1.175 17 A CA 1.897 53.931 52.037 -0.004 0.000 0.627 17 A CB -0.924 18.074 19.000 -0.003 0.000 0.815 17 A HN 0.993 nan 8.150 nan 0.000 0.443 18 A N -0.065 122.751 122.820 -0.006 0.000 1.902 18 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 18 A C 1.902 179.480 177.584 -0.011 0.000 1.181 18 A CA 1.655 53.687 52.037 -0.008 0.000 0.623 18 A CB -0.558 18.438 19.000 -0.006 0.000 0.818 18 A HN 0.620 nan 8.150 nan 0.000 0.443 19 E N -0.674 119.521 120.200 -0.009 0.000 2.085 19 E HA -0.244 4.106 4.350 -0.000 0.000 0.194 19 E C 2.070 178.661 176.600 -0.015 0.000 0.994 19 E CA 1.415 57.809 56.400 -0.010 0.000 0.801 19 E CB -0.138 29.558 29.700 -0.005 0.000 0.743 19 E HN 0.836 nan 8.360 nan 0.000 0.453 20 E N 0.221 120.413 120.200 -0.013 0.000 2.072 20 E HA -0.160 4.190 4.350 -0.000 0.000 0.191 20 E C 1.877 178.462 176.600 -0.026 0.000 0.985 20 E CA 1.586 57.976 56.400 -0.017 0.000 0.801 20 E CB 0.100 29.794 29.700 -0.011 0.000 0.750 20 E HN 0.085 nan 8.360 nan 0.000 0.452 21 T N 0.351 114.892 114.554 -0.022 0.000 2.684 21 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 21 T C 1.884 176.562 174.700 -0.036 0.000 1.036 21 T CA 1.474 63.559 62.100 -0.026 0.000 1.148 21 T CB -0.192 68.665 68.868 -0.018 0.000 0.863 21 T HN 0.042 nan 8.240 nan 0.000 0.436 22 V N 1.989 121.883 119.914 -0.034 0.000 2.427 22 V HA -0.129 3.991 4.120 -0.000 0.000 0.248 22 V C 2.421 178.475 176.094 -0.066 0.000 1.051 22 V CA 1.591 63.865 62.300 -0.042 0.000 1.048 22 V CB -0.728 31.077 31.823 -0.030 0.000 0.666 22 V HN 0.430 nan 8.190 nan 0.000 0.456 23 N N 0.487 119.149 118.700 -0.063 0.000 2.166 23 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 23 N C 1.470 176.899 175.510 -0.135 0.000 1.019 23 N CA 1.420 54.416 53.050 -0.091 0.000 0.856 23 N CB -0.208 38.244 38.487 -0.057 0.000 0.993 23 N HN 0.418 nan 8.380 nan 0.000 0.426 24 D N -0.036 120.302 120.400 -0.102 0.000 2.144 24 D HA -0.089 4.551 4.640 -0.000 0.000 0.199 24 D C 1.928 178.139 176.300 -0.148 0.000 0.984 24 D CA 0.674 54.606 54.000 -0.114 0.000 0.834 24 D CB -0.172 40.585 40.800 -0.071 0.000 0.955 24 D HN 0.401 nan 8.370 nan 0.000 0.465 25 I N 0.522 121.017 120.570 -0.125 0.000 2.179 25 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 25 I C 2.375 178.371 176.117 -0.202 0.000 1.088 25 I CA 0.755 61.979 61.300 -0.128 0.000 1.357 25 I CB -0.207 37.746 38.000 -0.078 0.000 1.051 25 I HN -0.007 nan 8.210 nan 0.000 0.409 26 L N -0.061 121.020 121.223 -0.237 0.000 2.046 26 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 26 L C 2.554 179.016 176.870 -0.680 0.000 1.077 26 L CA 1.500 56.130 54.840 -0.350 0.000 0.747 26 L CB -0.722 41.163 42.059 -0.289 0.000 0.896 26 L HN 0.319 nan 8.230 nan 0.000 0.432 27 Q N -0.138 119.244 119.800 -0.697 0.000 2.291 27 Q HA -0.105 4.235 4.340 -0.000 0.000 0.205 27 Q C 2.280 177.962 176.000 -0.531 0.000 0.970 27 Q CA 0.959 56.218 55.803 -0.907 0.000 0.876 27 Q CB -0.270 28.188 28.738 -0.467 0.000 0.935 27 Q HN 0.624 nan 8.270 nan 0.000 0.455 28 G N 0.920 109.511 108.800 -0.349 0.000 2.462 28 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.220 28 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.220 28 G C 1.439 176.236 174.900 -0.172 0.000 1.121 28 G CA 0.851 45.823 45.100 -0.213 0.000 0.758 28 G HN 0.421 nan 8.290 nan 0.000 0.559 29 A N 0.468 123.154 122.820 -0.224 0.000 1.902 29 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 29 A C 2.171 179.910 177.584 0.259 0.000 1.181 29 A CA 1.594 53.647 52.037 0.027 0.000 0.623 29 A CB -0.556 18.482 19.000 0.064 0.000 0.818 29 A HN 0.481 nan 8.150 nan 0.000 0.443 30 W N 0.172 121.501 121.300 0.048 0.000 2.436 30 W HA 0.039 4.699 4.660 -0.000 0.000 0.284 30 W C 2.102 178.573 176.519 -0.080 0.000 1.225 30 W CA 0.655 57.991 57.345 -0.015 0.000 1.271 30 W CB -0.921 28.532 29.460 -0.012 0.000 1.114 30 W HN 0.390 nan 8.180 nan 0.000 0.559 31 K N 0.771 121.232 120.400 0.100 0.000 2.032 31 K HA -0.149 4.171 4.320 -0.000 0.000 0.209 31 K C 2.206 178.746 176.600 -0.101 0.000 1.048 31 K CA 1.978 58.262 56.287 -0.006 0.000 0.927 31 K CB -0.290 32.184 32.500 -0.044 0.000 0.712 31 K HN -0.034 nan 8.250 nan 0.000 0.441 32 A N 1.187 123.927 122.820 -0.133 0.000 1.877 32 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 32 A C 2.115 179.308 177.584 -0.651 0.000 1.186 32 A CA 1.675 53.520 52.037 -0.319 0.000 0.620 32 A CB -0.503 18.390 19.000 -0.177 0.000 0.822 32 A HN 0.262 nan 8.150 nan 0.000 0.443 33 R N -0.087 120.179 120.500 -0.391 0.000 2.115 33 R HA 0.025 4.365 4.340 -0.000 0.000 0.230 33 R C 2.158 178.273 176.300 -0.309 0.000 1.111 33 R CA 1.568 57.390 56.100 -0.464 0.000 0.976 33 R CB -0.745 29.274 30.300 -0.468 0.000 0.870 33 R HN 0.437 nan 8.270 nan 0.000 0.445 34 A N 0.260 122.964 122.820 -0.193 0.000 1.933 34 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 34 A C 2.192 179.712 177.584 -0.106 0.000 1.175 34 A CA 1.455 53.423 52.037 -0.115 0.000 0.628 34 A CB -0.538 18.432 19.000 -0.050 0.000 0.814 34 A HN 0.340 nan 8.150 nan 0.000 0.444 35 I N -1.082 119.384 120.570 -0.173 0.000 2.226 35 I HA -0.286 3.884 4.170 -0.000 0.000 0.245 35 I C 2.365 178.446 176.117 -0.059 0.000 1.100 35 I CA 1.609 62.834 61.300 -0.126 0.000 1.374 35 I CB -0.628 37.270 38.000 -0.171 0.000 1.057 35 I HN 0.502 nan 8.210 nan 0.000 0.413 36 H N -0.403 118.611 119.070 -0.094 0.000 2.352 36 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 36 H C 2.373 177.638 175.328 -0.106 0.000 1.097 36 H CA 1.322 57.299 56.048 -0.119 0.000 1.311 36 H CB -0.031 29.616 29.762 -0.192 0.000 1.377 36 H HN 0.109 nan 8.280 nan 0.000 0.504 37 V N 0.906 120.819 119.914 -0.002 0.000 2.427 37 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 37 V C 2.643 178.731 176.094 -0.010 0.000 1.051 37 V CA 1.445 63.724 62.300 -0.036 0.000 1.048 37 V CB -0.806 30.971 31.823 -0.075 0.000 0.666 37 V HN 0.546 nan 8.190 nan 0.000 0.456 38 A N 0.649 123.479 122.820 0.017 0.000 1.933 38 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 38 A C 2.390 180.020 177.584 0.076 0.000 1.175 38 A CA 2.316 54.396 52.037 0.071 0.000 0.628 38 A CB -0.691 18.427 19.000 0.196 0.000 0.814 38 A HN 0.625 nan 8.150 nan 0.000 0.444 39 V N -2.178 117.773 119.914 0.061 0.000 2.488 39 V HA -0.140 3.980 4.120 -0.000 0.000 0.246 39 V C 2.113 178.226 176.094 0.032 0.000 1.046 39 V CA 2.135 64.467 62.300 0.054 0.000 1.053 39 V CB -0.882 30.972 31.823 0.051 0.000 0.679 39 V HN 0.642 nan 8.190 nan 0.000 0.458 40 E N 0.602 120.811 120.200 0.015 0.000 2.077 40 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 40 E C 2.124 178.724 176.600 -0.001 0.000 0.989 40 E CA 1.794 58.193 56.400 -0.002 0.000 0.800 40 E CB -0.192 29.492 29.700 -0.027 0.000 0.746 40 E HN 0.700 nan 8.360 nan 0.000 0.452 41 L N -0.712 120.508 121.223 -0.004 0.000 2.313 41 L HA 0.072 4.412 4.340 -0.000 0.000 0.214 41 L C 1.468 178.337 176.870 -0.002 0.000 1.119 41 L CA 0.625 55.458 54.840 -0.011 0.000 0.809 41 L CB -0.049 41.993 42.059 -0.029 0.000 0.933 41 L HN 0.475 nan 8.230 nan 0.000 0.449 42 G N -0.633 108.177 108.800 0.016 0.000 2.142 42 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.225 42 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.225 42 G C 0.647 175.565 174.900 0.030 0.000 1.015 42 G CA 0.220 45.336 45.100 0.027 0.000 0.716 42 G HN 0.077 nan 8.290 nan 0.000 0.508 43 V N 0.650 120.587 119.914 0.037 0.000 2.261 43 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 43 V C 0.888 177.043 176.094 0.102 0.000 1.047 43 V CA 2.668 64.973 62.300 0.008 0.000 1.015 43 V CB -1.038 30.728 31.823 -0.095 0.000 0.642 43 V HN 0.412 nan 8.190 nan 0.000 0.446 44 P HA -0.150 nan 4.420 nan 0.000 0.216 44 P C 1.434 178.816 177.300 0.137 0.000 1.150 44 P CA 1.325 64.586 63.100 0.268 0.000 0.837 44 P CB -0.032 31.770 31.700 0.169 0.000 0.786 45 E N -0.742 119.510 120.200 0.086 0.000 2.204 45 E HA -0.085 4.265 4.350 -0.000 0.000 0.194 45 E C 1.683 178.310 176.600 0.044 0.000 0.989 45 E CA 0.767 57.200 56.400 0.055 0.000 0.824 45 E CB -0.795 28.929 29.700 0.040 0.000 0.756 45 E HN 0.262 nan 8.360 nan 0.000 0.477 46 L N -0.017 121.228 121.223 0.037 0.000 2.599 46 L HA 0.070 4.410 4.340 -0.000 0.000 0.230 46 L C 1.118 178.002 176.870 0.022 0.000 1.141 46 L CA 0.272 55.122 54.840 0.016 0.000 0.877 46 L CB 0.139 42.192 42.059 -0.011 0.000 1.009 46 L HN 0.134 nan 8.230 nan 0.000 0.447 47 L N -0.802 120.453 121.223 0.052 0.000 2.910 47 L HA 0.123 4.463 4.340 -0.000 0.000 0.252 47 L C 1.492 178.403 176.870 0.067 0.000 1.195 47 L CA 0.002 54.881 54.840 0.065 0.000 1.003 47 L CB 0.256 42.384 42.059 0.114 0.000 1.328 47 L HN 0.261 nan 8.230 nan 0.000 0.540 48 Q N 0.225 120.056 119.800 0.052 0.000 2.432 48 Q HA -0.012 4.328 4.340 -0.000 0.000 0.205 48 Q C 0.233 176.254 176.000 0.035 0.000 0.945 48 Q CA 0.675 56.504 55.803 0.045 0.000 0.924 48 Q CB 0.341 29.102 28.738 0.038 0.000 1.016 48 Q HN 0.474 nan 8.270 nan 0.000 0.503 49 E N 0.435 120.653 120.200 0.031 0.000 3.388 49 E HA 0.344 4.694 4.350 -0.000 0.000 0.214 49 E C -0.242 176.373 176.600 0.025 0.000 1.040 49 E CA -0.319 56.096 56.400 0.025 0.000 1.327 49 E CB 0.985 30.697 29.700 0.019 0.000 1.243 49 E HN 0.317 nan 8.360 nan 0.000 0.444 50 G N 2.087 110.905 108.800 0.031 0.000 2.710 50 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.668 50 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.668 50 G C -2.874 172.044 174.900 0.030 0.000 1.320 50 G CA -1.331 43.786 45.100 0.029 0.000 0.860 50 G HN 0.089 nan 8.290 nan 0.000 0.538 51 P HA 0.515 nan 4.420 nan 0.000 0.272 51 P C -0.271 177.036 177.300 0.012 0.000 1.223 51 P CA -0.178 62.932 63.100 0.018 0.000 0.784 51 P CB 0.636 32.328 31.700 -0.015 0.000 0.923 52 R N -0.083 120.429 120.500 0.020 0.000 2.771 52 R HA 0.488 4.828 4.340 -0.000 0.000 0.274 52 R C -0.171 176.154 176.300 0.043 0.000 0.987 52 R CA -0.634 55.474 56.100 0.015 0.000 0.908 52 R CB 1.302 31.602 30.300 0.000 0.000 1.213 52 R HN 0.506 nan 8.270 nan 0.000 0.468 53 T N -1.855 112.716 114.554 0.029 0.000 2.899 53 T HA 0.285 4.635 4.350 -0.000 0.000 0.295 53 T C 1.477 176.215 174.700 0.064 0.000 1.033 53 T CA -0.018 62.118 62.100 0.059 0.000 1.084 53 T CB 1.355 70.234 68.868 0.019 0.000 0.979 53 T HN 0.584 nan 8.240 nan 0.000 0.532 54 A N 2.214 125.107 122.820 0.121 0.000 1.940 54 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 54 A C 2.476 180.033 177.584 -0.045 0.000 1.176 54 A CA 2.269 54.301 52.037 -0.007 0.000 0.631 54 A CB -1.808 17.207 19.000 0.025 0.000 0.814 54 A HN 0.952 nan 8.150 nan 0.000 0.446 55 T N 0.343 114.884 114.554 -0.021 0.000 2.652 55 T HA -0.111 4.239 4.350 -0.000 0.000 0.267 55 T C 2.231 176.906 174.700 -0.042 0.000 1.039 55 T CA 1.989 64.066 62.100 -0.039 0.000 1.153 55 T CB -0.536 68.316 68.868 -0.027 0.000 0.863 55 T HN 0.640 nan 8.240 nan 0.000 0.428 56 A N 0.980 123.782 122.820 -0.029 0.000 1.898 56 A HA 0.063 4.383 4.320 -0.000 0.000 0.216 56 A C 2.342 179.901 177.584 -0.042 0.000 1.181 56 A CA 1.115 53.134 52.037 -0.029 0.000 0.620 56 A CB -0.830 18.159 19.000 -0.018 0.000 0.819 56 A HN 0.475 nan 8.150 nan 0.000 0.442 57 L N -0.737 120.451 121.223 -0.059 0.000 2.083 57 L HA -0.203 4.137 4.340 -0.000 0.000 0.209 57 L C 3.078 179.897 176.870 -0.086 0.000 1.083 57 L CA 1.047 55.836 54.840 -0.086 0.000 0.752 57 L CB -0.553 41.419 42.059 -0.144 0.000 0.899 57 L HN 0.444 nan 8.230 nan 0.000 0.433 58 A N -0.022 122.746 122.820 -0.086 0.000 1.898 58 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 58 A C 2.269 179.819 177.584 -0.056 0.000 1.181 58 A CA 1.821 53.810 52.037 -0.079 0.000 0.620 58 A CB -0.518 18.427 19.000 -0.092 0.000 0.819 58 A HN 0.481 nan 8.150 nan 0.000 0.442 59 E N -0.036 120.134 120.200 -0.050 0.000 2.085 59 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 59 E C 2.020 178.602 176.600 -0.029 0.000 0.994 59 E CA 1.250 57.629 56.400 -0.036 0.000 0.801 59 E CB -0.290 29.391 29.700 -0.031 0.000 0.743 59 E HN 0.512 nan 8.360 nan 0.000 0.453 60 A N 0.170 122.971 122.820 -0.031 0.000 2.015 60 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 60 A C 2.325 179.895 177.584 -0.024 0.000 1.163 60 A CA 1.885 53.907 52.037 -0.025 0.000 0.646 60 A CB -0.666 18.320 19.000 -0.024 0.000 0.806 60 A HN 0.499 nan 8.150 nan 0.000 0.448 61 T N -4.948 109.586 114.554 -0.033 0.000 3.044 61 T HA 0.401 4.751 4.350 -0.000 0.000 0.250 61 T C 1.310 175.995 174.700 -0.024 0.000 1.081 61 T CA 1.063 63.145 62.100 -0.030 0.000 1.040 61 T CB 0.083 68.924 68.868 -0.044 0.000 0.962 61 T HN 1.669 nan 8.240 nan 0.000 0.506 62 G N 1.260 110.047 108.800 -0.022 0.000 2.160 62 G HA2 0.054 4.014 3.960 -0.000 0.000 0.244 62 G HA3 0.054 4.014 3.960 -0.000 0.000 0.244 62 G C 0.153 175.047 174.900 -0.011 0.000 1.022 62 G CA -0.093 44.999 45.100 -0.014 0.000 0.741 62 G HN 1.150 nan 8.290 nan 0.000 0.508 63 A N -0.265 122.543 122.820 -0.019 0.000 2.282 63 A HA 0.714 5.034 4.320 -0.000 0.000 0.319 63 A C 0.366 177.960 177.584 0.017 0.000 1.121 63 A CA -0.392 51.642 52.037 -0.006 0.000 0.836 63 A CB 0.584 19.563 19.000 -0.035 0.000 1.146 63 A HN 0.778 nan 8.150 nan 0.000 0.494 64 H N 0.984 120.021 119.070 -0.054 0.000 2.899 64 H HA 0.041 4.597 4.556 -0.000 0.000 0.303 64 H C 0.987 176.282 175.328 -0.054 0.000 1.042 64 H CA 0.787 56.806 56.048 -0.048 0.000 1.479 64 H CB 0.776 30.510 29.762 -0.047 0.000 1.493 64 H HN 0.988 nan 8.280 nan 0.000 0.534 65 E N 3.582 123.540 120.200 -0.403 0.000 2.033 65 E HA -0.296 4.054 4.350 -0.000 0.000 0.199 65 E C 1.905 178.379 176.600 -0.211 0.000 1.011 65 E CA 1.518 57.760 56.400 -0.264 0.000 0.815 65 E CB 0.031 29.589 29.700 -0.236 0.000 0.755 65 E HN 0.849 nan 8.360 nan 0.000 0.451 66 Q N -0.425 119.201 119.800 -0.290 0.000 2.135 66 Q HA -0.168 4.172 4.340 -0.000 0.000 0.204 66 Q C 1.925 177.940 176.000 0.024 0.000 0.981 66 Q CA 2.236 57.992 55.803 -0.079 0.000 0.856 66 Q CB -0.035 28.700 28.738 -0.005 0.000 0.902 66 Q HN 0.294 nan 8.270 nan 0.000 0.425 67 T N 1.232 115.876 114.554 0.150 0.000 2.857 67 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 67 T C 1.686 176.380 174.700 -0.010 0.000 1.048 67 T CA 0.859 63.019 62.100 0.099 0.000 1.139 67 T CB -0.184 68.766 68.868 0.137 0.000 0.874 67 T HN 0.204 nan 8.240 nan 0.000 0.455 68 L N 1.583 122.780 121.223 -0.042 0.000 2.083 68 L HA 0.059 4.399 4.340 -0.000 0.000 0.209 68 L C 2.501 179.260 176.870 -0.185 0.000 1.083 68 L CA 1.656 56.423 54.840 -0.122 0.000 0.752 68 L CB -0.567 41.410 42.059 -0.138 0.000 0.899 68 L HN 0.071 nan 8.230 nan 0.000 0.433 69 R N -0.701 119.717 120.500 -0.137 0.000 2.083 69 R HA -0.184 4.156 4.340 -0.000 0.000 0.237 69 R C 2.423 178.675 176.300 -0.079 0.000 1.137 69 R CA 1.709 57.738 56.100 -0.118 0.000 0.951 69 R CB -0.158 30.133 30.300 -0.016 0.000 0.851 69 R HN 0.322 nan 8.270 nan 0.000 0.434 70 R N 0.136 120.610 120.500 -0.043 0.000 2.083 70 R HA -0.170 4.170 4.340 -0.000 0.000 0.237 70 R C 2.396 178.668 176.300 -0.047 0.000 1.137 70 R CA 1.649 57.735 56.100 -0.023 0.000 0.951 70 R CB -0.565 29.726 30.300 -0.014 0.000 0.851 70 R HN 0.201 nan 8.270 nan 0.000 0.434 71 L N 0.888 122.060 121.223 -0.084 0.000 2.017 71 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 71 L C 2.018 178.817 176.870 -0.117 0.000 1.073 71 L CA 1.632 56.419 54.840 -0.089 0.000 0.745 71 L CB -0.231 41.765 42.059 -0.104 0.000 0.894 71 L HN 0.156 nan 8.230 nan 0.000 0.432 72 L N -1.160 119.903 121.223 -0.266 0.000 2.093 72 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 72 L C 2.766 179.542 176.870 -0.157 0.000 1.085 72 L CA 1.082 55.654 54.840 -0.447 0.000 0.755 72 L CB -0.530 40.808 42.059 -1.202 0.000 0.904 72 L HN 0.223 nan 8.230 nan 0.000 0.435 73 R N -0.220 120.273 120.500 -0.012 0.000 2.083 73 R HA -0.207 4.133 4.340 -0.000 0.000 0.237 73 R C 2.245 178.615 176.300 0.116 0.000 1.137 73 R CA 1.524 57.731 56.100 0.177 0.000 0.951 73 R CB -0.644 29.741 30.300 0.142 0.000 0.851 73 R HN 0.200 nan 8.270 nan 0.000 0.434 74 L N 1.274 122.534 121.223 0.060 0.000 2.017 74 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 74 L C 2.061 178.973 176.870 0.070 0.000 1.073 74 L CA 1.640 56.515 54.840 0.059 0.000 0.745 74 L CB -0.484 41.599 42.059 0.041 0.000 0.894 74 L HN 0.124 nan 8.230 nan 0.000 0.432 75 L N -0.463 120.806 121.223 0.077 0.000 2.012 75 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 75 L C 2.700 179.650 176.870 0.132 0.000 1.073 75 L CA 1.354 56.258 54.840 0.107 0.000 0.748 75 L CB -0.934 41.239 42.059 0.190 0.000 0.891 75 L HN 0.423 nan 8.230 nan 0.000 0.431 76 A N -0.661 122.273 122.820 0.190 0.000 1.940 76 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 76 A C 2.318 179.973 177.584 0.117 0.000 1.176 76 A CA 2.316 54.473 52.037 0.199 0.000 0.631 76 A CB -0.923 18.250 19.000 0.287 0.000 0.814 76 A HN 0.411 nan 8.150 nan 0.000 0.446 77 T N -0.245 114.369 114.554 0.100 0.000 2.881 77 T HA -0.073 4.277 4.350 -0.000 0.000 0.270 77 T C 1.498 176.225 174.700 0.045 0.000 1.068 77 T CA 1.717 63.857 62.100 0.066 0.000 1.131 77 T CB -0.402 68.503 68.868 0.062 0.000 0.871 77 T HN 0.714 nan 8.240 nan 0.000 0.479 78 V N -1.805 118.134 119.914 0.041 0.000 3.342 78 V HA 0.732 4.852 4.120 -0.000 0.000 0.322 78 V C 1.371 177.467 176.094 0.004 0.000 1.370 78 V CA 0.173 62.482 62.300 0.016 0.000 1.170 78 V CB -0.509 31.317 31.823 0.005 0.000 1.101 78 V HN 0.478 nan 8.190 nan 0.000 0.442 79 G N -0.079 108.732 108.800 0.018 0.000 2.179 79 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 79 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 79 G C 0.000 174.886 174.900 -0.023 0.000 0.990 79 G CA -0.071 45.030 45.100 0.002 0.000 0.646 79 G HN 0.841 nan 8.290 nan 0.000 0.517 80 V N 1.751 121.647 119.914 -0.029 0.000 2.350 80 V HA 0.733 4.853 4.120 -0.000 0.000 0.276 80 V C 0.622 176.683 176.094 -0.056 0.000 1.028 80 V CA -0.135 62.071 62.300 -0.157 0.000 0.860 80 V CB -0.260 31.438 31.823 -0.209 0.000 0.990 80 V HN 0.724 nan 8.190 nan 0.000 0.453 81 F N 1.886 121.853 119.950 0.028 0.000 2.182 81 F HA -0.175 4.352 4.527 0.000 0.000 0.320 81 F C 0.159 176.011 175.800 0.086 0.000 1.254 81 F CA 0.112 58.149 58.000 0.061 0.000 0.920 81 F CB -0.192 38.853 39.000 0.075 0.000 4.124 81 F HN 0.461 nan 8.300 nan 0.000 0.152 82 D N 1.241 121.823 120.400 0.304 0.000 2.168 82 D HA 0.239 4.879 4.640 -0.000 0.000 0.246 82 D C -0.772 175.627 176.300 0.164 0.000 1.050 82 D CA -0.261 53.845 54.000 0.177 0.000 0.857 82 D CB 1.491 42.347 40.800 0.093 0.000 1.169 82 D HN 0.380 nan 8.370 nan 0.000 0.453 83 D N 2.608 123.049 120.400 0.069 0.000 2.347 83 D HA 0.090 4.730 4.640 -0.000 0.000 0.235 83 D C 1.118 177.259 176.300 -0.265 0.000 1.149 83 D CA -0.333 53.533 54.000 -0.224 0.000 0.850 83 D CB 0.926 41.665 40.800 -0.100 0.000 1.061 83 D HN 0.286 nan 8.370 nan 0.000 0.487 84 L N 3.222 124.202 121.223 -0.404 0.000 2.376 84 L HA 0.051 4.391 4.340 -0.000 0.000 0.219 84 L C 1.767 178.495 176.870 -0.236 0.000 1.133 84 L CA 0.754 55.411 54.840 -0.304 0.000 0.816 84 L CB -0.432 41.353 42.059 -0.456 0.000 0.933 84 L HN 0.765 nan 8.230 nan 0.000 0.449 85 G N 0.707 109.334 108.800 -0.288 0.000 2.155 85 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.257 85 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.257 85 G C 0.088 174.965 174.900 -0.039 0.000 0.983 85 G CA 0.758 45.776 45.100 -0.136 0.000 0.676 85 G HN 0.743 nan 8.290 nan 0.000 0.528 86 H N -3.919 115.067 119.070 -0.140 0.000 3.046 86 H HA 0.585 5.141 4.556 -0.000 0.000 0.363 86 H C 0.195 175.461 175.328 -0.104 0.000 1.203 86 H CA -0.425 55.563 56.048 -0.099 0.000 1.169 86 H CB 0.930 30.650 29.762 -0.069 0.000 1.851 86 H HN -0.033 nan 8.280 nan 0.000 0.546 87 D N 1.041 121.460 120.400 0.032 0.000 3.059 87 D HA -0.220 4.420 4.640 -0.000 0.000 0.220 87 D C -0.081 176.172 176.300 -0.080 0.000 1.169 87 D CA 1.861 55.864 54.000 0.004 0.000 0.902 87 D CB -0.789 40.070 40.800 0.097 0.000 1.116 87 D HN 0.964 nan 8.370 nan 0.000 0.417 88 D N -0.995 119.328 120.400 -0.129 0.000 2.945 88 D HA -0.209 4.431 4.640 -0.000 0.000 0.225 88 D C -0.256 175.947 176.300 -0.162 0.000 1.158 88 D CA 0.638 54.573 54.000 -0.108 0.000 0.805 88 D CB -1.040 39.757 40.800 -0.005 0.000 1.098 88 D HN 0.502 nan 8.370 nan 0.000 0.426 89 L N -0.013 120.998 121.223 -0.353 0.000 2.350 89 L HA 0.543 4.883 4.340 -0.000 0.000 0.275 89 L C 0.433 176.961 176.870 -0.570 0.000 1.099 89 L CA -0.483 54.164 54.840 -0.323 0.000 0.808 89 L CB 0.718 42.565 42.059 -0.353 0.000 1.149 89 L HN -0.102 nan 8.230 nan 0.000 0.442 90 F N 0.960 120.832 119.950 -0.131 0.000 2.577 90 F HA 0.774 5.301 4.527 -0.000 0.000 0.318 90 F C 0.149 175.907 175.800 -0.069 0.000 1.065 90 F CA -0.600 57.335 58.000 -0.109 0.000 0.929 90 F CB 2.056 40.953 39.000 -0.171 0.000 1.237 90 F HN 0.428 nan 8.300 nan 0.000 0.468 91 A N 1.402 124.328 122.820 0.176 0.000 2.515 91 A HA 0.682 5.002 4.320 -0.000 0.000 0.296 91 A C -1.205 176.529 177.584 0.250 0.000 1.094 91 A CA -0.835 51.290 52.037 0.146 0.000 0.718 91 A CB 1.582 20.629 19.000 0.078 0.000 1.307 91 A HN 0.650 nan 8.150 nan 0.000 0.408 92 Q N 0.868 120.795 119.800 0.212 0.000 2.361 92 Q HA 0.326 4.666 4.340 -0.000 0.000 0.276 92 Q C 0.097 176.175 176.000 0.130 0.000 1.022 92 Q CA 0.715 56.645 55.803 0.213 0.000 0.898 92 Q CB 0.398 29.215 28.738 0.131 0.000 1.246 92 Q HN 0.890 nan 8.270 nan 0.000 0.410 93 N N 1.197 119.940 118.700 0.072 0.000 3.167 93 N HA 0.460 5.200 4.740 -0.000 0.000 0.323 93 N C -0.226 175.272 175.510 -0.020 0.000 1.478 93 N CA -0.131 52.933 53.050 0.025 0.000 0.753 93 N CB 0.000 38.504 38.487 0.028 0.000 1.721 93 N HN 0.420 nan 8.380 nan 0.000 0.618 94 A N -0.063 122.745 122.820 -0.020 0.000 1.908 94 A HA -0.037 4.283 4.320 -0.000 0.000 0.218 94 A C 2.019 179.569 177.584 -0.057 0.000 1.181 94 A CA 1.355 53.376 52.037 -0.028 0.000 0.627 94 A CB -1.075 17.914 19.000 -0.018 0.000 0.818 94 A HN 0.572 nan 8.150 nan 0.000 0.445 95 L N 0.030 121.203 121.223 -0.083 0.000 2.044 95 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 95 L C 3.028 179.781 176.870 -0.195 0.000 1.075 95 L CA 1.605 56.373 54.840 -0.120 0.000 0.747 95 L CB -0.628 41.358 42.059 -0.122 0.000 0.903 95 L HN 0.623 nan 8.230 nan 0.000 0.435 96 S N 0.268 115.790 115.700 -0.296 0.000 2.423 96 S HA -0.103 4.367 4.470 -0.000 0.000 0.231 96 S C 2.118 176.589 174.600 -0.215 0.000 1.014 96 S CA 0.753 58.667 58.200 -0.477 0.000 0.965 96 S CB -0.272 62.353 63.200 -0.958 0.000 0.785 96 S HN 0.324 nan 8.310 nan 0.000 0.495 97 A N 1.909 124.662 122.820 -0.111 0.000 1.972 97 A HA 0.057 4.377 4.320 -0.000 0.000 0.219 97 A C 2.391 179.952 177.584 -0.038 0.000 1.169 97 A CA 1.537 53.548 52.037 -0.042 0.000 0.635 97 A CB -1.133 17.856 19.000 -0.018 0.000 0.810 97 A HN 1.182 nan 8.150 nan 0.000 0.446 98 V N -2.684 117.198 119.914 -0.054 0.000 3.305 98 V HA 0.069 4.189 4.120 -0.000 0.000 0.269 98 V C 1.610 177.684 176.094 -0.032 0.000 1.157 98 V CA 1.339 63.618 62.300 -0.035 0.000 1.157 98 V CB -0.725 31.077 31.823 -0.035 0.000 0.772 98 V HN 0.431 nan 8.190 nan 0.000 0.498 99 L N -0.162 121.031 121.223 -0.050 0.000 2.592 99 L HA 0.343 4.683 4.340 -0.000 0.000 0.227 99 L C 0.879 177.750 176.870 0.002 0.000 1.127 99 L CA -0.052 54.769 54.840 -0.031 0.000 0.884 99 L CB -0.017 42.003 42.059 -0.066 0.000 1.065 99 L HN 0.273 nan 8.230 nan 0.000 0.457 100 L N 2.498 123.724 121.223 0.006 0.000 2.490 100 L HA 0.071 4.411 4.340 -0.000 0.000 0.274 100 L C -1.725 175.159 176.870 0.023 0.000 1.201 100 L CA -1.533 53.321 54.840 0.023 0.000 0.869 100 L CB -0.060 42.012 42.059 0.022 0.000 1.123 100 L HN -0.130 nan 8.230 nan 0.000 0.484 101 P HA 0.042 nan 4.420 nan 0.000 0.267 101 P C -1.058 176.257 177.300 0.025 0.000 1.209 101 P CA 0.153 63.271 63.100 0.029 0.000 0.763 101 P CB 0.840 32.559 31.700 0.032 0.000 0.816 102 D N 4.383 124.797 120.400 0.023 0.000 2.484 102 D HA 0.110 4.750 4.640 -0.000 0.000 0.206 102 D C -2.170 174.141 176.300 0.018 0.000 1.322 102 D CA -1.625 52.387 54.000 0.019 0.000 0.913 102 D CB 1.295 42.105 40.800 0.017 0.000 1.559 102 D HN 0.039 nan 8.370 nan 0.000 0.565 103 P HA 0.007 nan 4.420 nan 0.000 0.228 103 P C 0.791 178.095 177.300 0.007 0.000 1.151 103 P CA 0.492 63.598 63.100 0.009 0.000 0.770 103 P CB 0.295 31.999 31.700 0.007 0.000 0.786 104 A N -0.786 122.040 122.820 0.011 0.000 2.308 104 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 104 A C 1.245 178.839 177.584 0.016 0.000 1.216 104 A CA 0.140 52.185 52.037 0.013 0.000 0.864 104 A CB -0.336 18.672 19.000 0.013 0.000 0.902 104 A HN 0.214 nan 8.150 nan 0.000 0.499 105 S N 0.393 116.104 115.700 0.017 0.000 2.422 105 S HA 0.456 4.926 4.470 -0.000 0.000 0.308 105 S C -1.840 172.775 174.600 0.026 0.000 1.097 105 S CA -1.560 56.652 58.200 0.020 0.000 1.099 105 S CB 1.078 64.289 63.200 0.018 0.000 0.976 105 S HN 0.073 nan 8.310 nan 0.000 0.471 106 P HA -0.098 nan 4.420 nan 0.000 0.215 106 P C 1.476 178.805 177.300 0.048 0.000 1.157 106 P CA 0.773 63.896 63.100 0.040 0.000 0.868 106 P CB 0.072 31.799 31.700 0.045 0.000 0.788 107 V N 0.051 119.988 119.914 0.038 0.000 2.358 107 V HA -0.210 3.910 4.120 -0.000 0.000 0.246 107 V C 2.478 178.595 176.094 0.039 0.000 1.047 107 V CA 2.162 64.484 62.300 0.036 0.000 1.035 107 V CB -1.775 30.057 31.823 0.016 0.000 0.658 107 V HN 0.088 nan 8.190 nan 0.000 0.452 108 A N 0.995 123.834 122.820 0.031 0.000 1.898 108 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 108 A C 2.495 180.109 177.584 0.051 0.000 1.181 108 A CA 2.493 54.550 52.037 0.033 0.000 0.620 108 A CB -0.967 18.047 19.000 0.024 0.000 0.819 108 A HN 0.628 nan 8.150 nan 0.000 0.442 109 T N -2.711 111.875 114.554 0.054 0.000 2.857 109 T HA -0.122 4.228 4.350 -0.000 0.000 0.266 109 T C 1.576 176.348 174.700 0.121 0.000 1.048 109 T CA 1.469 63.610 62.100 0.068 0.000 1.139 109 T CB -0.367 68.522 68.868 0.035 0.000 0.874 109 T HN 0.306 nan 8.240 nan 0.000 0.455 110 D N 1.844 122.321 120.400 0.127 0.000 2.144 110 D HA 0.090 4.730 4.640 -0.000 0.000 0.200 110 D C 2.394 178.778 176.300 0.139 0.000 0.978 110 D CA 1.227 55.348 54.000 0.203 0.000 0.833 110 D CB -0.547 40.358 40.800 0.175 0.000 0.961 110 D HN 0.474 nan 8.370 nan 0.000 0.470 111 A N 0.530 123.405 122.820 0.093 0.000 1.908 111 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 111 A C 2.256 179.853 177.584 0.021 0.000 1.181 111 A CA 1.454 53.543 52.037 0.087 0.000 0.627 111 A CB -0.441 18.613 19.000 0.090 0.000 0.818 111 A HN 0.186 nan 8.150 nan 0.000 0.445 112 R N -2.171 118.359 120.500 0.050 0.000 2.115 112 R HA -0.014 4.326 4.340 -0.000 0.000 0.226 112 R C 1.957 178.279 176.300 0.037 0.000 1.100 112 R CA 1.219 57.339 56.100 0.033 0.000 0.980 112 R CB -0.402 29.940 30.300 0.069 0.000 0.875 112 R HN 0.569 nan 8.270 nan 0.000 0.445 113 F N 2.204 122.111 119.950 -0.071 0.000 2.102 113 F HA -0.183 4.344 4.527 0.000 0.000 0.298 113 F C 1.885 177.476 175.800 -0.349 0.000 1.105 113 F CA 1.625 59.598 58.000 -0.045 0.000 1.239 113 F CB -0.322 38.752 39.000 0.124 0.000 0.991 113 F HN -0.069 nan 8.300 nan 0.000 0.474 114 Q N -0.168 119.228 119.800 -0.673 0.000 2.291 114 Q HA -0.065 4.275 4.340 -0.000 0.000 0.205 114 Q C 2.322 177.695 176.000 -1.045 0.000 0.970 114 Q CA 1.008 56.051 55.803 -1.268 0.000 0.876 114 Q CB -0.394 27.791 28.738 -0.921 0.000 0.935 114 Q HN 0.515 nan 8.270 nan 0.000 0.455 115 A N 1.364 123.730 122.820 -0.757 0.000 2.015 115 A HA 0.083 4.403 4.320 -0.000 0.000 0.219 115 A C 1.269 178.593 177.584 -0.434 0.000 1.163 115 A CA 0.699 52.420 52.037 -0.528 0.000 0.646 115 A CB -0.500 18.357 19.000 -0.238 0.000 0.806 115 A HN 0.350 nan 8.150 nan 0.000 0.448 116 A N 0.642 123.135 122.820 -0.546 0.000 2.546 116 A HA 0.366 4.686 4.320 -0.000 0.000 0.243 116 A C -0.564 176.648 177.584 -0.621 0.000 1.063 116 A CA -0.404 51.194 52.037 -0.731 0.000 0.757 116 A CB 0.027 18.128 19.000 -1.497 0.000 0.991 116 A HN 0.316 nan 8.150 nan 0.000 0.503 117 P HA -0.163 nan 4.420 nan 0.000 0.218 117 P C 1.362 178.644 177.300 -0.030 0.000 1.148 117 P CA 1.675 64.694 63.100 -0.134 0.000 0.822 117 P CB -0.197 31.478 31.700 -0.042 0.000 0.784 118 W N -0.769 120.581 121.300 0.082 0.000 2.519 118 W HA -0.043 4.617 4.660 -0.000 0.000 0.266 118 W C 1.946 178.472 176.519 0.012 0.000 1.253 118 W CA 0.219 57.548 57.345 -0.027 0.000 1.274 118 W CB -2.008 27.431 29.460 -0.034 0.000 1.114 118 W HN 0.093 nan 8.180 nan 0.000 0.596 119 H N 0.228 119.255 119.070 -0.072 0.000 2.284 119 H HA -0.196 4.360 4.556 -0.000 0.000 0.304 119 H C 2.115 177.551 175.328 0.180 0.000 1.069 119 H CA 2.080 58.148 56.048 0.033 0.000 1.327 119 H CB -1.174 28.315 29.762 -0.455 0.000 1.387 119 H HN 0.161 nan 8.280 nan 0.000 0.498 120 W N 2.402 123.801 121.300 0.166 0.000 2.325 120 W HA -0.201 4.458 4.660 -0.000 0.000 0.299 120 W C 2.530 179.152 176.519 0.172 0.000 1.215 120 W CA 1.522 58.986 57.345 0.199 0.000 1.244 120 W CB -0.252 29.238 29.460 0.050 0.000 1.140 120 W HN 0.241 nan 8.180 nan 0.000 0.523 121 R N 0.428 121.063 120.500 0.225 0.000 2.148 121 R HA -0.094 4.246 4.340 -0.000 0.000 0.227 121 R C 2.435 178.690 176.300 -0.075 0.000 1.103 121 R CA 1.320 57.460 56.100 0.068 0.000 0.983 121 R CB -0.484 29.839 30.300 0.039 0.000 0.874 121 R HN 0.081 nan 8.270 nan 0.000 0.451 122 A N -0.033 122.703 122.820 -0.139 0.000 1.933 122 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 122 A C 1.602 178.984 177.584 -0.336 0.000 1.175 122 A CA 1.150 53.021 52.037 -0.277 0.000 0.628 122 A CB -0.817 18.017 19.000 -0.277 0.000 0.814 122 A HN 0.541 nan 8.150 nan 0.000 0.444 123 W N -0.095 121.079 121.300 -0.209 0.000 2.425 123 W HA -0.026 4.634 4.660 -0.000 0.000 0.277 123 W C 2.165 178.534 176.519 -0.250 0.000 1.231 123 W CA 0.947 58.136 57.345 -0.259 0.000 1.248 123 W CB -0.064 29.154 29.460 -0.402 0.000 1.117 123 W HN 0.518 nan 8.180 nan 0.000 0.568 124 E N 0.258 120.423 120.200 -0.059 0.000 2.130 124 E HA -0.255 4.095 4.350 -0.000 0.000 0.196 124 E C 1.278 177.861 176.600 -0.028 0.000 0.998 124 E CA 1.161 57.535 56.400 -0.044 0.000 0.806 124 E CB -0.034 29.658 29.700 -0.013 0.000 0.738 124 E HN 0.187 nan 8.360 nan 0.000 0.459 125 Q N 0.367 120.130 119.800 -0.062 0.000 2.211 125 Q HA 0.045 4.385 4.340 -0.000 0.000 0.231 125 Q C 1.459 177.434 176.000 -0.042 0.000 0.865 125 Q CA -0.173 55.601 55.803 -0.048 0.000 0.997 125 Q CB 0.687 29.373 28.738 -0.087 0.000 1.101 125 Q HN 0.271 nan 8.270 nan 0.000 0.468 126 L N 0.740 121.932 121.223 -0.052 0.000 2.081 126 L HA -0.190 4.150 4.340 -0.000 0.000 0.212 126 L C 1.816 178.675 176.870 -0.018 0.000 1.080 126 L CA 2.059 56.863 54.840 -0.060 0.000 0.754 126 L CB -0.765 41.316 42.059 0.036 0.000 0.893 126 L HN 0.127 nan 8.230 nan 0.000 0.433 127 T N -1.647 112.913 114.554 0.010 0.000 2.699 127 T HA -0.311 4.039 4.350 -0.000 0.000 0.268 127 T C 1.731 176.434 174.700 0.004 0.000 1.036 127 T CA 1.823 63.928 62.100 0.009 0.000 1.147 127 T CB -0.526 68.353 68.868 0.018 0.000 0.862 127 T HN 0.673 nan 8.240 nan 0.000 0.446 128 H N 0.900 119.938 119.070 -0.054 0.000 2.319 128 H HA -0.057 4.499 4.556 -0.000 0.000 0.299 128 H C 2.383 177.673 175.328 -0.065 0.000 1.092 128 H CA 1.942 57.957 56.048 -0.055 0.000 1.302 128 H CB -0.274 29.452 29.762 -0.059 0.000 1.373 128 H HN 0.194 nan 8.280 nan 0.000 0.497 129 S N -0.745 114.946 115.700 -0.014 0.000 2.382 129 S HA -0.121 4.349 4.470 -0.000 0.000 0.228 129 S C 2.283 176.814 174.600 -0.115 0.000 1.027 129 S CA 1.084 59.236 58.200 -0.080 0.000 0.991 129 S CB -0.208 62.931 63.200 -0.101 0.000 0.823 129 S HN 0.278 nan 8.310 nan 0.000 0.469 130 V N 1.808 121.669 119.914 -0.089 0.000 2.626 130 V HA -0.074 4.046 4.120 -0.000 0.000 0.252 130 V C 2.204 178.243 176.094 -0.092 0.000 1.067 130 V CA 1.387 63.643 62.300 -0.074 0.000 1.081 130 V CB -0.588 31.209 31.823 -0.043 0.000 0.686 130 V HN 0.384 nan 8.190 nan 0.000 0.468 131 R N 0.193 120.615 120.500 -0.131 0.000 2.240 131 R HA -0.024 4.316 4.340 -0.000 0.000 0.203 131 R C 2.047 178.242 176.300 -0.174 0.000 1.011 131 R CA 1.526 57.540 56.100 -0.144 0.000 1.007 131 R CB -0.090 30.117 30.300 -0.156 0.000 0.911 131 R HN 0.729 nan 8.270 nan 0.000 0.468 132 T N -5.645 108.780 114.554 -0.215 0.000 2.966 132 T HA 0.199 4.549 4.350 -0.000 0.000 0.254 132 T C 1.387 176.020 174.700 -0.112 0.000 0.961 132 T CA 0.479 62.464 62.100 -0.193 0.000 0.915 132 T CB 1.027 69.709 68.868 -0.309 0.000 1.186 132 T HN 0.230 nan 8.240 nan 0.000 0.505 133 G N 1.518 110.257 108.800 -0.101 0.000 2.168 133 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.263 133 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.263 133 G C -0.217 174.649 174.900 -0.056 0.000 0.977 133 G CA 0.487 45.545 45.100 -0.069 0.000 0.659 133 G HN 0.702 nan 8.290 nan 0.000 0.533 134 E N -0.267 119.900 120.200 -0.055 0.000 2.264 134 E HA 0.678 5.028 4.350 -0.000 0.000 0.260 134 E C 0.600 177.195 176.600 -0.008 0.000 0.961 134 E CA -0.561 55.831 56.400 -0.014 0.000 0.834 134 E CB 1.463 31.183 29.700 0.033 0.000 1.230 134 E HN 0.630 nan 8.360 nan 0.000 0.412 135 A N 0.855 123.661 122.820 -0.024 0.000 2.540 135 A HA 0.023 4.343 4.320 -0.000 0.000 0.239 135 A C 1.003 178.596 177.584 0.015 0.000 1.061 135 A CA 0.438 52.441 52.037 -0.058 0.000 0.758 135 A CB -0.000 18.948 19.000 -0.086 0.000 0.991 135 A HN 0.646 nan 8.150 nan 0.000 0.502 136 S N 1.799 117.469 115.700 -0.049 0.000 2.524 136 S HA -0.043 4.427 4.470 -0.000 0.000 0.216 136 S C 1.419 175.953 174.600 -0.110 0.000 0.987 136 S CA 0.678 58.833 58.200 -0.075 0.000 0.909 136 S CB -0.513 62.613 63.200 -0.124 0.000 0.781 136 S HN 0.711 nan 8.310 nan 0.000 0.521 137 F N 3.369 123.198 119.950 -0.202 0.000 2.120 137 F HA -0.156 4.371 4.527 0.000 0.000 0.300 137 F C 1.506 177.237 175.800 -0.114 0.000 1.095 137 F CA 2.090 59.998 58.000 -0.153 0.000 1.249 137 F CB -0.370 38.541 39.000 -0.148 0.000 0.995 137 F HN 0.176 nan 8.300 nan 0.000 0.480 138 D N -0.551 119.908 120.400 0.098 0.000 2.097 138 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 138 D C 2.315 178.556 176.300 -0.098 0.000 0.984 138 D CA 1.465 55.484 54.000 0.033 0.000 0.826 138 D CB -0.801 40.016 40.800 0.028 0.000 0.973 138 D HN 0.245 nan 8.370 nan 0.000 0.460 139 V N 0.342 120.137 119.914 -0.198 0.000 2.515 139 V HA -0.152 3.968 4.120 -0.000 0.000 0.250 139 V C 2.009 177.988 176.094 -0.192 0.000 1.058 139 V CA 1.926 64.077 62.300 -0.247 0.000 1.064 139 V CB -0.398 31.137 31.823 -0.480 0.000 0.675 139 V HN 0.230 nan 8.190 nan 0.000 0.461 140 A N -0.025 122.668 122.820 -0.212 0.000 1.897 140 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 140 A C 1.882 179.353 177.584 -0.188 0.000 1.181 140 A CA 1.782 53.702 52.037 -0.194 0.000 0.620 140 A CB -0.370 18.488 19.000 -0.236 0.000 0.821 140 A HN 0.639 nan 8.150 nan 0.000 0.443 141 N N -1.818 116.727 118.700 -0.258 0.000 2.197 141 N HA 0.177 4.917 4.740 -0.000 0.000 0.201 141 N C 1.002 176.448 175.510 -0.106 0.000 1.148 141 N CA 0.916 53.831 53.050 -0.225 0.000 0.883 141 N CB 0.923 39.124 38.487 -0.476 0.000 1.012 141 N HN 0.595 nan 8.380 nan 0.000 0.507 142 G N 0.778 109.531 108.800 -0.079 0.000 2.148 142 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 142 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 142 G C 0.155 175.056 174.900 0.001 0.000 0.981 142 G CA 1.020 46.099 45.100 -0.034 0.000 0.670 142 G HN 0.535 nan 8.290 nan 0.000 0.528 143 T N -1.039 113.537 114.554 0.036 0.000 2.786 143 T HA 0.631 4.981 4.350 -0.000 0.000 0.316 143 T C 0.236 175.053 174.700 0.194 0.000 1.503 143 T CA 0.870 63.019 62.100 0.083 0.000 1.019 143 T CB 1.104 70.009 68.868 0.060 0.000 1.415 143 T HN 1.454 nan 8.240 nan 0.000 0.496 144 S N 1.618 117.395 115.700 0.128 0.000 2.617 144 S HA 0.418 4.888 4.470 -0.000 0.000 0.269 144 S C 1.116 175.631 174.600 -0.142 0.000 1.292 144 S CA -0.553 57.697 58.200 0.083 0.000 1.010 144 S CB 0.521 63.751 63.200 0.048 0.000 0.944 144 S HN 0.661 nan 8.310 nan 0.000 0.536 145 F N 0.720 120.186 119.950 -0.806 0.000 2.126 145 F HA 0.007 4.534 4.527 -0.000 0.000 0.299 145 F C 1.606 176.957 175.800 -0.748 0.000 1.096 145 F CA 1.195 58.353 58.000 -1.404 0.000 1.255 145 F CB -0.381 37.592 39.000 -1.712 0.000 0.997 145 F HN 0.734 nan 8.300 nan 0.000 0.479 146 W N -0.163 120.975 121.300 -0.270 0.000 2.436 146 W HA -0.142 4.518 4.660 0.000 0.000 0.284 146 W C 2.530 178.945 176.519 -0.172 0.000 1.225 146 W CA 0.604 57.827 57.345 -0.203 0.000 1.271 146 W CB -0.473 28.980 29.460 -0.012 0.000 1.114 146 W HN 0.058 nan 8.180 nan 0.000 0.559 147 Q N 0.850 120.694 119.800 0.073 0.000 2.083 147 Q HA -0.165 4.175 4.340 -0.000 0.000 0.198 147 Q C 2.047 178.046 176.000 -0.001 0.000 0.969 147 Q CA 1.415 57.258 55.803 0.066 0.000 0.838 147 Q CB -0.667 28.104 28.738 0.054 0.000 0.900 147 Q HN 0.300 nan 8.270 nan 0.000 0.436 148 L N 0.178 121.310 121.223 -0.152 0.000 2.017 148 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 148 L C 2.161 178.860 176.870 -0.285 0.000 1.073 148 L CA 2.624 57.317 54.840 -0.244 0.000 0.745 148 L CB -1.122 40.713 42.059 -0.373 0.000 0.894 148 L HN 0.499 nan 8.230 nan 0.000 0.432 149 T N -4.190 110.128 114.554 -0.393 0.000 2.995 149 T HA -0.213 4.137 4.350 -0.000 0.000 0.269 149 T C 1.854 176.535 174.700 -0.031 0.000 1.091 149 T CA 1.282 63.228 62.100 -0.256 0.000 1.128 149 T CB -0.754 67.905 68.868 -0.348 0.000 0.891 149 T HN 0.614 nan 8.240 nan 0.000 0.492 150 H N 1.596 120.631 119.070 -0.059 0.000 2.326 150 H HA 0.084 4.640 4.556 -0.000 0.000 0.301 150 H C 2.145 177.460 175.328 -0.022 0.000 1.081 150 H CA 1.871 57.912 56.048 -0.011 0.000 1.334 150 H CB -0.106 29.660 29.762 0.006 0.000 1.385 150 H HN 0.504 nan 8.280 nan 0.000 0.504 151 E N -0.770 119.359 120.200 -0.117 0.000 2.190 151 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 151 E C -0.012 176.517 176.600 -0.118 0.000 0.978 151 E CA 0.509 56.820 56.400 -0.149 0.000 0.839 151 E CB 0.419 30.108 29.700 -0.019 0.000 0.787 151 E HN 0.343 nan 8.360 nan 0.000 0.473 152 D N 0.229 120.571 120.400 -0.097 0.000 2.427 152 D HA 0.104 4.744 4.640 -0.000 0.000 0.226 152 D C -2.070 174.212 176.300 -0.029 0.000 1.076 152 D CA -2.545 51.419 54.000 -0.059 0.000 0.849 152 D CB 1.593 42.347 40.800 -0.075 0.000 1.052 152 D HN -0.230 nan 8.370 nan 0.000 0.515 153 P HA -0.080 nan 4.420 nan 0.000 0.217 153 P C 0.991 178.330 177.300 0.064 0.000 1.150 153 P CA 1.159 64.269 63.100 0.016 0.000 0.832 153 P CB 0.486 32.193 31.700 0.011 0.000 0.787 154 K N -0.284 120.170 120.400 0.090 0.000 2.025 154 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 154 K C 2.215 178.959 176.600 0.240 0.000 1.049 154 K CA 1.497 57.876 56.287 0.153 0.000 0.933 154 K CB -0.765 31.834 32.500 0.165 0.000 0.714 154 K HN 0.014 nan 8.250 nan 0.000 0.438 155 A N 1.811 124.769 122.820 0.230 0.000 1.877 155 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 155 A C 2.156 179.873 177.584 0.222 0.000 1.186 155 A CA 1.552 53.756 52.037 0.278 0.000 0.620 155 A CB -0.537 18.350 19.000 -0.188 0.000 0.822 155 A HN 0.230 nan 8.150 nan 0.000 0.443 156 R N -0.278 120.283 120.500 0.102 0.000 2.091 156 R HA -0.233 4.107 4.340 -0.000 0.000 0.238 156 R C 2.188 178.591 176.300 0.172 0.000 1.136 156 R CA 2.072 58.251 56.100 0.131 0.000 0.959 156 R CB -0.242 30.100 30.300 0.069 0.000 0.856 156 R HN 0.649 nan 8.270 nan 0.000 0.437 157 E N 0.521 120.810 120.200 0.148 0.000 2.047 157 E HA -0.160 4.191 4.350 -0.000 0.000 0.191 157 E C 2.049 178.733 176.600 0.140 0.000 0.987 157 E CA 1.335 57.805 56.400 0.117 0.000 0.799 157 E CB -0.289 29.473 29.700 0.103 0.000 0.752 157 E HN 0.395 nan 8.360 nan 0.000 0.449 158 L N -0.167 121.207 121.223 0.252 0.000 2.042 158 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 158 L C 2.442 179.411 176.870 0.166 0.000 1.076 158 L CA 1.443 56.467 54.840 0.307 0.000 0.749 158 L CB -0.585 41.805 42.059 0.552 0.000 0.893 158 L HN 0.248 nan 8.230 nan 0.000 0.432 159 F N 1.354 121.328 119.950 0.040 0.000 2.084 159 F HA -0.169 4.358 4.527 -0.000 0.000 0.296 159 F C 2.366 178.064 175.800 -0.171 0.000 1.111 159 F CA 1.548 59.348 58.000 -0.333 0.000 1.224 159 F CB -0.485 38.525 39.000 0.017 0.000 0.991 159 F HN 0.062 nan 8.300 nan 0.000 0.471 160 N N 0.701 119.204 118.700 -0.328 0.000 2.223 160 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 160 N C 1.975 177.320 175.510 -0.275 0.000 1.016 160 N CA 1.178 54.000 53.050 -0.380 0.000 0.863 160 N CB -0.408 38.018 38.487 -0.102 0.000 0.983 160 N HN 0.385 nan 8.380 nan 0.000 0.429 161 R N 0.565 120.968 120.500 -0.163 0.000 2.075 161 R HA 0.097 4.437 4.340 -0.000 0.000 0.232 161 R C 1.099 177.319 176.300 -0.133 0.000 1.126 161 R CA 0.828 56.869 56.100 -0.099 0.000 0.963 161 R CB -0.184 30.103 30.300 -0.022 0.000 0.858 161 R HN 0.139 nan 8.270 nan 0.000 0.435 165 S N 0.940 116.622 115.700 -0.031 0.000 2.357 165 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 165 S C 2.214 176.825 174.600 0.018 0.000 1.031 165 S CA 1.623 59.822 58.200 -0.002 0.000 0.982 165 S CB -0.559 62.642 63.200 0.003 0.000 0.853 165 S HN 0.285 nan 8.310 nan 0.000 0.458 166 V N 1.987 121.914 119.914 0.022 0.000 2.287 166 V HA -0.173 3.947 4.120 -0.000 0.000 0.248 166 V C 3.020 179.158 176.094 0.073 0.000 1.053 166 V CA 2.162 64.493 62.300 0.052 0.000 1.027 166 V CB -1.188 30.666 31.823 0.051 0.000 0.646 166 V HN 0.675 nan 8.190 nan 0.000 0.447 167 S N -0.806 114.933 115.700 0.064 0.000 2.383 167 S HA -0.117 4.353 4.470 -0.000 0.000 0.227 167 S C 1.935 176.565 174.600 0.050 0.000 1.026 167 S CA 1.394 59.638 58.200 0.075 0.000 0.981 167 S CB -0.331 62.903 63.200 0.058 0.000 0.818 167 S HN 0.491 nan 8.310 nan 0.000 0.472 168 L N 0.789 122.032 121.223 0.033 0.000 2.042 168 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 168 L C 2.703 179.594 176.870 0.035 0.000 1.076 168 L CA 1.700 56.556 54.840 0.027 0.000 0.749 168 L CB -0.854 41.216 42.059 0.018 0.000 0.893 168 L HN 0.353 nan 8.230 nan 0.000 0.432 169 T N -1.139 113.441 114.554 0.044 0.000 2.737 169 T HA -0.169 4.181 4.350 -0.000 0.000 0.265 169 T C 1.691 176.425 174.700 0.057 0.000 1.038 169 T CA 1.272 63.401 62.100 0.048 0.000 1.144 169 T CB -0.160 68.740 68.868 0.053 0.000 0.866 169 T HN 0.388 nan 8.240 nan 0.000 0.434 170 E N 1.164 121.407 120.200 0.071 0.000 2.204 170 E HA -0.029 4.321 4.350 -0.000 0.000 0.195 170 E C 2.489 179.125 176.600 0.059 0.000 0.990 170 E CA 0.784 57.229 56.400 0.074 0.000 0.821 170 E CB -0.199 29.558 29.700 0.096 0.000 0.750 170 E HN 0.471 nan 8.360 nan 0.000 0.477 171 A N 1.276 124.125 122.820 0.049 0.000 1.877 171 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 171 A C 2.471 180.086 177.584 0.052 0.000 1.186 171 A CA 1.713 53.774 52.037 0.039 0.000 0.620 171 A CB -1.234 17.780 19.000 0.023 0.000 0.822 171 A HN 0.367 nan 8.150 nan 0.000 0.443 172 G N -0.945 107.884 108.800 0.049 0.000 2.442 172 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.219 172 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.219 172 G C 1.611 176.557 174.900 0.077 0.000 1.141 172 G CA 1.084 46.217 45.100 0.055 0.000 0.763 172 G HN 0.646 nan 8.290 nan 0.000 0.554 173 Q N -0.329 119.516 119.800 0.075 0.000 2.050 173 Q HA -0.057 4.283 4.340 -0.000 0.000 0.202 173 Q C 2.872 178.941 176.000 0.115 0.000 0.980 173 Q CA 1.442 57.296 55.803 0.084 0.000 0.840 173 Q CB -0.265 28.516 28.738 0.072 0.000 0.898 173 Q HN 0.376 nan 8.270 nan 0.000 0.424 174 V N 0.951 120.936 119.914 0.119 0.000 2.295 174 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 174 V C 2.224 178.502 176.094 0.307 0.000 1.049 174 V CA 1.821 64.224 62.300 0.172 0.000 1.024 174 V CB -0.969 30.933 31.823 0.132 0.000 0.648 174 V HN 0.419 nan 8.190 nan 0.000 0.447 175 A N -0.396 122.584 122.820 0.268 0.000 2.070 175 A HA -0.004 4.316 4.320 -0.000 0.000 0.220 175 A C 2.224 180.051 177.584 0.406 0.000 1.159 175 A CA 1.898 54.162 52.037 0.378 0.000 0.656 175 A CB -0.444 18.678 19.000 0.204 0.000 0.800 175 A HN 0.592 nan 8.150 nan 0.000 0.453 176 A N -1.352 121.618 122.820 0.250 0.000 2.169 176 A HA 0.560 4.880 4.320 -0.000 0.000 0.210 176 A C 2.030 179.722 177.584 0.179 0.000 1.168 176 A CA 1.073 53.220 52.037 0.183 0.000 0.813 176 A CB -0.268 18.795 19.000 0.105 0.000 0.861 176 A HN 0.880 nan 8.150 nan 0.000 0.481 177 A N -2.187 120.753 122.820 0.200 0.000 2.220 177 A HA 0.445 4.765 4.320 -0.000 0.000 0.211 177 A C 0.240 177.919 177.584 0.158 0.000 1.176 177 A CA 0.213 52.339 52.037 0.148 0.000 0.834 177 A CB -0.105 18.969 19.000 0.124 0.000 0.868 177 A HN 0.473 nan 8.150 nan 0.000 0.488 178 Y N -0.037 120.289 120.300 0.042 0.000 2.406 178 Y HA 0.465 5.015 4.550 -0.000 0.000 0.340 178 Y C -1.209 174.555 175.900 -0.227 0.000 0.975 178 Y CA -1.613 56.367 58.100 -0.200 0.000 1.056 178 Y CB 1.411 39.583 38.460 -0.480 0.000 1.210 178 Y HN 0.090 nan 8.280 nan 0.000 0.448 179 D N 5.271 125.237 120.400 -0.723 0.000 2.402 179 D HA 0.077 4.717 4.640 -0.000 0.000 0.235 179 D C -0.191 175.708 176.300 -0.668 0.000 1.226 179 D CA 0.342 54.093 54.000 -0.415 0.000 0.918 179 D CB -0.052 40.560 40.800 -0.313 0.000 1.043 179 D HN 0.544 nan 8.370 nan 0.000 0.506 180 F N 1.074 120.573 119.950 -0.752 0.000 2.732 180 F HA -0.018 4.509 4.527 -0.000 0.000 0.303 180 F C 2.502 177.963 175.800 -0.565 0.000 1.110 180 F CA -0.096 57.428 58.000 -0.793 0.000 1.355 180 F CB -0.008 38.227 39.000 -1.274 0.000 1.081 180 F HN 0.316 nan 8.300 nan 0.000 0.565 181 S N -0.577 115.058 115.700 -0.109 0.000 2.442 181 S HA -0.118 4.352 4.470 -0.000 0.000 0.236 181 S C 2.199 176.835 174.600 0.061 0.000 1.007 181 S CA 1.140 59.435 58.200 0.158 0.000 0.965 181 S CB -0.819 62.522 63.200 0.234 0.000 0.773 181 S HN 0.369 nan 8.310 nan 0.000 0.504 182 G N 0.525 109.321 108.800 -0.008 0.000 2.880 182 G HA2 0.511 4.471 3.960 -0.000 0.000 0.209 182 G HA3 0.511 4.471 3.960 -0.000 0.000 0.209 182 G C 0.323 175.226 174.900 0.005 0.000 1.157 182 G CA 0.153 45.251 45.100 -0.004 0.000 0.779 182 G HN 0.800 nan 8.290 nan 0.000 0.539 183 A N -0.097 122.729 122.820 0.011 0.000 2.309 183 A HA 0.749 5.069 4.320 -0.000 0.000 0.298 183 A C 1.194 178.787 177.584 0.014 0.000 1.165 183 A CA 0.287 52.335 52.037 0.017 0.000 0.821 183 A CB 1.396 20.424 19.000 0.047 0.000 1.102 183 A HN 0.502 nan 8.150 nan 0.000 0.500 184 A N 1.766 124.586 122.820 0.001 0.000 1.997 184 A HA 0.389 4.709 4.320 -0.000 0.000 0.212 184 A C 1.161 178.731 177.584 -0.023 0.000 1.178 184 A CA 1.559 53.594 52.037 -0.003 0.000 0.698 184 A CB -0.209 18.789 19.000 -0.003 0.000 0.842 184 A HN 1.301 nan 8.150 nan 0.000 0.458 185 T N -2.905 111.622 114.554 -0.046 0.000 2.893 185 T HA 0.752 5.102 4.350 -0.000 0.000 0.293 185 T C -0.684 173.936 174.700 -0.133 0.000 1.027 185 T CA -0.080 61.970 62.100 -0.084 0.000 0.988 185 T CB 1.736 70.549 68.868 -0.092 0.000 1.043 185 T HN 0.955 nan 8.240 nan 0.000 0.461 186 A N 1.832 124.558 122.820 -0.157 0.000 2.435 186 A HA 0.827 5.147 4.320 -0.000 0.000 0.304 186 A C -1.048 176.395 177.584 -0.235 0.000 1.064 186 A CA -0.854 51.059 52.037 -0.206 0.000 0.727 186 A CB 1.931 20.834 19.000 -0.162 0.000 1.284 186 A HN 0.930 nan 8.150 nan 0.000 0.415 187 V N 2.022 121.750 119.914 -0.310 0.000 2.483 187 V HA 0.375 4.495 4.120 -0.000 0.000 0.297 187 V C -1.176 174.867 176.094 -0.084 0.000 1.027 187 V CA -0.533 61.648 62.300 -0.199 0.000 0.855 187 V CB 1.854 33.535 31.823 -0.236 0.000 0.995 187 V HN 0.923 nan 8.190 nan 0.000 0.424 188 D N 4.571 124.946 120.400 -0.041 0.000 2.373 188 D HA 0.436 5.076 4.640 -0.000 0.000 0.227 188 D C -0.333 175.986 176.300 0.030 0.000 1.091 188 D CA -0.199 53.794 54.000 -0.012 0.000 0.840 188 D CB 1.048 41.833 40.800 -0.025 0.000 1.060 188 D HN 0.427 nan 8.370 nan 0.000 0.502 189 I N 2.757 123.351 120.570 0.040 0.000 2.337 189 I HA 0.287 4.457 4.170 -0.000 0.000 0.291 189 I C 1.412 177.586 176.117 0.094 0.000 1.046 189 I CA -0.390 60.949 61.300 0.064 0.000 1.324 189 I CB 1.256 39.249 38.000 -0.011 0.000 1.409 189 I HN 0.639 nan 8.210 nan 0.000 0.494 190 G N 4.445 113.377 108.800 0.219 0.000 2.314 190 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.292 190 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.292 190 G C 0.821 175.818 174.900 0.162 0.000 1.059 190 G CA 0.214 45.478 45.100 0.274 0.000 0.982 190 G HN 1.028 nan 8.290 nan 0.000 0.505 191 G N -0.530 108.332 108.800 0.103 0.000 3.061 191 G HA2 0.514 4.474 3.960 -0.000 0.000 0.208 191 G HA3 0.514 4.474 3.960 -0.000 0.000 0.208 191 G C 1.674 176.614 174.900 0.066 0.000 1.175 191 G CA 1.345 46.484 45.100 0.066 0.000 0.812 191 G HN 2.047 nan 8.290 nan 0.000 0.523 192 G N 0.760 109.616 108.800 0.093 0.000 2.583 192 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.292 192 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.292 192 G C 0.990 175.913 174.900 0.039 0.000 1.203 192 G CA 0.389 45.534 45.100 0.075 0.000 0.987 192 G HN 0.475 nan 8.290 nan 0.000 0.554 193 R N 1.764 122.273 120.500 0.014 0.000 2.313 193 R HA 0.367 4.707 4.340 -0.000 0.000 0.199 193 R C 1.934 178.237 176.300 0.005 0.000 0.958 193 R CA 1.150 57.253 56.100 0.006 0.000 1.047 193 R CB -0.122 30.173 30.300 -0.009 0.000 0.955 193 R HN 1.957 nan 8.270 nan 0.000 0.481 194 G N 0.461 109.266 108.800 0.008 0.000 2.157 194 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.239 194 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.239 194 G C 0.939 175.835 174.900 -0.006 0.000 0.982 194 G CA 0.537 45.637 45.100 0.000 0.000 0.650 194 G HN 0.432 nan 8.290 nan 0.000 0.527 195 S N -0.892 114.807 115.700 -0.001 0.000 2.382 195 S HA 0.203 4.673 4.470 -0.000 0.000 0.228 195 S C 1.629 176.225 174.600 -0.007 0.000 1.027 195 S CA 1.309 59.508 58.200 -0.002 0.000 0.991 195 S CB 0.032 63.235 63.200 0.005 0.000 0.823 195 S HN 1.411 nan 8.310 nan 0.000 0.469 199 A N 0.312 123.117 122.820 -0.026 0.000 1.877 199 A HA 0.131 4.451 4.320 -0.000 0.000 0.216 199 A C 2.040 179.616 177.584 -0.013 0.000 1.186 199 A CA 2.264 54.294 52.037 -0.012 0.000 0.620 199 A CB -0.914 18.088 19.000 0.004 0.000 0.822 199 A HN 0.880 nan 8.150 nan 0.000 0.443 200 V N 0.166 120.039 119.914 -0.069 0.000 2.358 200 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 200 V C 2.564 178.646 176.094 -0.019 0.000 1.047 200 V CA 1.876 64.098 62.300 -0.131 0.000 1.035 200 V CB -0.792 30.723 31.823 -0.514 0.000 0.658 200 V HN 0.553 nan 8.190 nan 0.000 0.452 201 L N -0.324 120.867 121.223 -0.053 0.000 2.017 201 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 201 L C 2.424 179.300 176.870 0.011 0.000 1.073 201 L CA 1.600 56.432 54.840 -0.014 0.000 0.745 201 L CB -0.809 41.231 42.059 -0.033 0.000 0.894 201 L HN 0.311 nan 8.230 nan 0.000 0.432 202 D N 0.324 120.719 120.400 -0.009 0.000 2.123 202 D HA -0.179 4.461 4.640 -0.000 0.000 0.196 202 D C 2.145 178.414 176.300 -0.051 0.000 0.992 202 D CA 1.652 55.639 54.000 -0.023 0.000 0.833 202 D CB 0.017 40.803 40.800 -0.024 0.000 0.954 202 D HN 0.340 nan 8.370 nan 0.000 0.455 203 A N -0.688 122.097 122.820 -0.058 0.000 2.067 203 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 203 A C 0.469 177.735 177.584 -0.529 0.000 1.156 203 A CA 0.384 52.273 52.037 -0.247 0.000 0.683 203 A CB -0.072 18.806 19.000 -0.204 0.000 0.808 203 A HN 0.125 nan 8.150 nan 0.000 0.455 204 F N -1.047 118.890 119.950 -0.022 0.000 2.686 204 F HA 0.358 4.885 4.527 -0.000 0.000 0.365 204 F C -2.059 173.732 175.800 -0.015 0.000 1.196 204 F CA -1.921 56.079 58.000 -0.000 0.000 1.198 204 F CB 1.591 40.603 39.000 0.021 0.000 1.454 204 F HN -0.015 nan 8.300 nan 0.000 0.539 205 P HA -0.136 nan 4.420 nan 0.000 0.218 205 P C 1.730 179.062 177.300 0.054 0.000 1.146 205 P CA 1.207 64.332 63.100 0.041 0.000 0.813 205 P CB 0.308 32.014 31.700 0.010 0.000 0.778 206 G N -1.454 107.396 108.800 0.083 0.000 2.813 206 G HA2 0.011 3.971 3.960 -0.000 0.000 0.209 206 G HA3 0.011 3.971 3.960 -0.000 0.000 0.209 206 G C 0.360 175.292 174.900 0.053 0.000 1.150 206 G CA -0.075 45.062 45.100 0.062 0.000 0.785 206 G HN 0.204 nan 8.290 nan 0.000 0.535 207 L N 1.177 122.440 121.223 0.067 0.000 2.395 207 L HA 0.556 4.896 4.340 -0.000 0.000 0.269 207 L C 0.531 177.399 176.870 -0.003 0.000 1.133 207 L CA -0.829 54.028 54.840 0.028 0.000 0.812 207 L CB 0.936 43.008 42.059 0.021 0.000 1.125 207 L HN 0.355 nan 8.230 nan 0.000 0.452 208 R N 2.848 123.334 120.500 -0.024 0.000 2.803 208 R HA 0.929 5.269 4.340 -0.000 0.000 0.276 208 R C -0.756 175.509 176.300 -0.058 0.000 0.978 208 R CA -0.662 55.417 56.100 -0.034 0.000 0.939 208 R CB 1.659 31.944 30.300 -0.025 0.000 1.179 208 R HN 0.737 nan 8.270 nan 0.000 0.472 209 G N 0.103 108.868 108.800 -0.058 0.000 2.680 209 G HA2 0.598 4.558 3.960 -0.000 0.000 0.290 209 G HA3 0.598 4.558 3.960 -0.000 0.000 0.290 209 G C -1.425 173.438 174.900 -0.060 0.000 1.355 209 G CA -0.736 44.318 45.100 -0.076 0.000 0.903 209 G HN 0.486 nan 8.290 nan 0.000 0.474 210 T N 0.406 114.921 114.554 -0.066 0.000 2.881 210 T HA 0.464 4.814 4.350 -0.000 0.000 0.290 210 T C -0.930 173.752 174.700 -0.030 0.000 1.000 210 T CA -0.294 61.781 62.100 -0.041 0.000 0.978 210 T CB 1.648 70.496 68.868 -0.035 0.000 0.997 210 T HN 0.485 nan 8.240 nan 0.000 0.443 211 L N 4.479 125.694 121.223 -0.015 0.000 2.280 211 L HA 0.711 5.051 4.340 -0.000 0.000 0.287 211 L C -1.122 175.757 176.870 0.015 0.000 1.023 211 L CA -0.931 53.908 54.840 -0.001 0.000 0.819 211 L CB 0.767 42.825 42.059 -0.002 0.000 1.212 211 L HN 0.529 nan 8.230 nan 0.000 0.420 212 L N 5.355 126.598 121.223 0.033 0.000 2.272 212 L HA 0.651 4.991 4.340 -0.000 0.000 0.289 212 L C -0.736 176.165 176.870 0.051 0.000 1.032 212 L CA 0.510 55.376 54.840 0.042 0.000 0.810 212 L CB 0.919 43.019 42.059 0.067 0.000 1.205 212 L HN 0.630 nan 8.230 nan 0.000 0.422 213 E N 3.308 123.520 120.200 0.019 0.000 2.430 213 E HA 0.377 4.727 4.350 -0.000 0.000 0.279 213 E C -1.015 175.562 176.600 -0.039 0.000 1.003 213 E CA -0.904 55.499 56.400 0.006 0.000 0.801 213 E CB 1.961 31.680 29.700 0.032 0.000 1.313 213 E HN 0.577 nan 8.360 nan 0.000 0.459 214 R N 1.441 121.900 120.500 -0.068 0.000 2.638 214 R HA -0.001 4.339 4.340 -0.000 0.000 0.268 214 R C -1.606 174.701 176.300 0.011 0.000 1.006 214 R CA -0.828 55.240 56.100 -0.053 0.000 1.088 214 R CB -0.191 30.085 30.300 -0.039 0.000 0.950 214 R HN 0.157 nan 8.270 nan 0.000 0.419 215 P HA -0.176 nan 4.420 nan 0.000 0.216 215 P C -1.473 175.851 177.300 0.039 0.000 1.157 215 P CA 1.687 64.808 63.100 0.035 0.000 0.880 215 P CB -0.571 31.160 31.700 0.052 0.000 0.791 216 P HA -0.082 nan 4.420 nan 0.000 0.217 216 P C 1.559 178.880 177.300 0.035 0.000 1.150 216 P CA 1.064 64.181 63.100 0.028 0.000 0.832 216 P CB -0.491 31.213 31.700 0.007 0.000 0.787 217 V N 0.283 120.229 119.914 0.053 0.000 2.427 217 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 217 V C 2.539 178.655 176.094 0.037 0.000 1.051 217 V CA 1.944 64.277 62.300 0.056 0.000 1.048 217 V CB -1.824 30.048 31.823 0.082 0.000 0.666 217 V HN 0.085 nan 8.190 nan 0.000 0.456 218 A N -0.127 122.711 122.820 0.029 0.000 1.940 218 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 218 A C 2.193 179.787 177.584 0.016 0.000 1.176 218 A CA 1.758 53.807 52.037 0.020 0.000 0.631 218 A CB -0.404 18.604 19.000 0.013 0.000 0.814 218 A HN 0.507 nan 8.150 nan 0.000 0.446 219 E N 0.140 120.349 120.200 0.016 0.000 2.106 219 E HA -0.163 4.187 4.350 -0.000 0.000 0.192 219 E C 1.887 178.494 176.600 0.011 0.000 0.984 219 E CA 1.296 57.703 56.400 0.011 0.000 0.806 219 E CB -0.396 29.310 29.700 0.010 0.000 0.750 219 E HN 0.798 nan 8.360 nan 0.000 0.458 220 E N 0.829 121.038 120.200 0.015 0.000 2.077 220 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 220 E C 2.056 178.662 176.600 0.010 0.000 0.989 220 E CA 1.008 57.416 56.400 0.013 0.000 0.800 220 E CB -0.118 29.593 29.700 0.017 0.000 0.746 220 E HN 0.195 nan 8.360 nan 0.000 0.452 221 A N 1.664 124.491 122.820 0.012 0.000 1.933 221 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 221 A C 2.114 179.700 177.584 0.004 0.000 1.175 221 A CA 1.465 53.507 52.037 0.008 0.000 0.628 221 A CB -0.474 18.533 19.000 0.012 0.000 0.814 221 A HN 0.080 nan 8.150 nan 0.000 0.444 222 R N -0.240 120.263 120.500 0.005 0.000 2.091 222 R HA -0.202 4.138 4.340 -0.000 0.000 0.238 222 R C 2.236 178.537 176.300 0.002 0.000 1.136 222 R CA 1.878 57.980 56.100 0.002 0.000 0.959 222 R CB -0.308 29.994 30.300 0.003 0.000 0.856 222 R HN 0.749 nan 8.270 nan 0.000 0.437 223 E N 0.501 120.703 120.200 0.003 0.000 2.058 223 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 223 E C 2.136 178.737 176.600 0.002 0.000 0.997 223 E CA 1.361 57.763 56.400 0.003 0.000 0.801 223 E CB -0.172 29.531 29.700 0.005 0.000 0.746 223 E HN 0.418 nan 8.360 nan 0.000 0.450 224 L N 0.536 121.760 121.223 0.001 0.000 2.017 224 L HA -0.186 4.154 4.340 -0.000 0.000 0.208 224 L C 2.414 179.283 176.870 -0.002 0.000 1.073 224 L CA 1.222 56.062 54.840 -0.000 0.000 0.745 224 L CB -0.158 41.900 42.059 -0.001 0.000 0.894 224 L HN 0.233 nan 8.230 nan 0.000 0.432 225 L N -0.774 120.447 121.223 -0.004 0.000 2.093 225 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 225 L C 2.480 179.346 176.870 -0.005 0.000 1.085 225 L CA 1.653 56.489 54.840 -0.006 0.000 0.755 225 L CB -0.781 41.273 42.059 -0.008 0.000 0.904 225 L HN 0.284 nan 8.230 nan 0.000 0.435 226 T N -0.553 113.999 114.554 -0.003 0.000 2.737 226 T HA -0.115 4.235 4.350 -0.000 0.000 0.265 226 T C 1.777 176.476 174.700 -0.002 0.000 1.038 226 T CA 1.365 63.464 62.100 -0.003 0.000 1.144 226 T CB -0.515 68.352 68.868 -0.001 0.000 0.866 226 T HN 0.536 nan 8.240 nan 0.000 0.434 227 G N 0.804 109.603 108.800 -0.001 0.000 2.509 227 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 227 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 227 G C 1.487 176.386 174.900 -0.002 0.000 1.124 227 G CA 0.003 45.102 45.100 -0.001 0.000 0.776 227 G HN 0.397 nan 8.290 nan 0.000 0.547 228 R N -0.335 120.163 120.500 -0.003 0.000 2.388 228 R HA 0.270 4.610 4.340 -0.000 0.000 0.247 228 R C 1.462 177.759 176.300 -0.006 0.000 0.931 228 R CA 0.382 56.480 56.100 -0.005 0.000 1.082 228 R CB 0.282 30.579 30.300 -0.006 0.000 1.135 228 R HN 0.272 nan 8.270 nan 0.000 0.525 229 G N 1.032 109.829 108.800 -0.005 0.000 2.176 229 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 229 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 229 G C 0.316 175.212 174.900 -0.007 0.000 1.024 229 G CA -0.074 45.023 45.100 -0.005 0.000 0.755 229 G HN 0.348 nan 8.290 nan 0.000 0.507 230 L N -0.739 120.480 121.223 -0.008 0.000 2.906 230 L HA 0.430 4.770 4.340 -0.000 0.000 0.255 230 L C 2.538 179.402 176.870 -0.010 0.000 1.166 230 L CA 0.583 55.417 54.840 -0.010 0.000 0.977 230 L CB 0.131 42.182 42.059 -0.013 0.000 1.313 230 L HN 0.297 nan 8.230 nan 0.000 0.549 231 A N 0.914 123.730 122.820 -0.008 0.000 1.972 231 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 231 A C 1.784 179.364 177.584 -0.007 0.000 1.169 231 A CA 2.008 54.041 52.037 -0.007 0.000 0.635 231 A CB -0.332 18.665 19.000 -0.005 0.000 0.810 231 A HN 0.573 nan 8.150 nan 0.000 0.446 232 D N -1.368 119.028 120.400 -0.007 0.000 2.349 232 D HA -0.025 4.615 4.640 -0.000 0.000 0.224 232 D C 1.431 177.725 176.300 -0.008 0.000 1.029 232 D CA 0.398 54.394 54.000 -0.007 0.000 0.879 232 D CB -0.265 40.532 40.800 -0.005 0.000 0.906 232 D HN 0.497 nan 8.370 nan 0.000 0.528 233 R N -1.231 119.262 120.500 -0.011 0.000 2.446 233 R HA 0.279 4.619 4.340 -0.000 0.000 0.254 233 R C -0.436 175.851 176.300 -0.021 0.000 0.918 233 R CA -0.149 55.943 56.100 -0.014 0.000 1.069 233 R CB 0.897 31.189 30.300 -0.013 0.000 1.194 233 R HN 0.092 nan 8.270 nan 0.000 0.534 234 C N 1.853 121.142 119.300 -0.020 0.000 2.432 234 C HA 0.277 4.737 4.460 -0.000 0.000 0.334 234 C C -0.325 174.654 174.990 -0.018 0.000 1.155 234 C CA -0.798 58.206 59.018 -0.024 0.000 1.335 234 C CB 0.950 28.675 27.740 -0.026 0.000 1.964 234 C HN 0.414 nan 8.230 nan 0.000 0.444 235 E N 5.092 125.281 120.200 -0.019 0.000 2.338 235 E HA 0.338 4.688 4.350 -0.000 0.000 0.272 235 E C -0.545 176.049 176.600 -0.010 0.000 1.029 235 E CA -0.335 56.057 56.400 -0.012 0.000 0.872 235 E CB 0.632 30.325 29.700 -0.012 0.000 1.015 235 E HN 0.614 nan 8.360 nan 0.000 0.417 236 I N 5.412 125.979 120.570 -0.005 0.000 2.315 236 I HA 0.173 4.343 4.170 -0.000 0.000 0.291 236 I C -0.306 175.812 176.117 0.001 0.000 1.006 236 I CA -0.703 60.597 61.300 -0.001 0.000 1.265 236 I CB 0.744 38.745 38.000 0.001 0.000 1.387 236 I HN 0.506 nan 8.210 nan 0.000 0.475 237 L N 10.177 131.402 121.223 0.004 0.000 2.337 237 L HA 0.590 4.930 4.340 -0.000 0.000 0.269 237 L C -2.554 174.317 176.870 0.002 0.000 1.018 237 L CA -1.872 52.971 54.840 0.005 0.000 0.876 237 L CB 1.259 43.324 42.059 0.009 0.000 1.236 237 L HN 0.218 nan 8.230 nan 0.000 0.436 238 P HA 0.519 nan 4.420 nan 0.000 0.271 238 P C -0.121 177.169 177.300 -0.017 0.000 1.226 238 P CA 0.015 63.111 63.100 -0.006 0.000 0.765 238 P CB 1.091 32.792 31.700 0.001 0.000 0.835 239 G N 1.678 110.455 108.800 -0.039 0.000 2.427 239 G HA2 0.421 4.381 3.960 -0.000 0.000 0.306 239 G HA3 0.421 4.381 3.960 -0.000 0.000 0.306 239 G C -2.113 172.712 174.900 -0.124 0.000 1.280 239 G CA -0.374 44.692 45.100 -0.057 0.000 0.837 239 G HN 0.421 nan 8.290 nan 0.000 0.482 240 D N -0.414 119.904 120.400 -0.136 0.000 2.620 240 D HA 0.422 5.062 4.640 -0.000 0.000 0.252 240 D C 0.929 177.108 176.300 -0.201 0.000 1.207 240 D CA -0.927 52.926 54.000 -0.246 0.000 0.884 240 D CB 1.063 41.778 40.800 -0.140 0.000 1.262 240 D HN 0.257 nan 8.370 nan 0.000 0.552 241 F N 2.225 122.056 119.950 -0.198 0.000 2.722 241 F HA 0.178 4.705 4.527 -0.000 0.000 0.298 241 F C 0.974 176.541 175.800 -0.390 0.000 1.175 241 F CA -0.250 57.574 58.000 -0.293 0.000 1.462 241 F CB -1.045 37.749 39.000 -0.344 0.000 1.111 241 F HN 0.130 nan 8.300 nan 0.000 0.592 242 F N 0.786 120.757 119.950 0.036 0.000 2.710 242 F HA 0.114 4.641 4.527 0.000 0.000 0.298 242 F C 1.876 177.648 175.800 -0.047 0.000 1.137 242 F CA 0.583 58.566 58.000 -0.028 0.000 1.444 242 F CB -0.123 38.803 39.000 -0.124 0.000 1.111 242 F HN -0.016 nan 8.300 nan 0.000 0.580 243 E N -1.267 118.991 120.200 0.097 0.000 2.391 243 E HA 0.194 4.544 4.350 -0.000 0.000 0.206 243 E C 0.152 176.764 176.600 0.019 0.000 0.851 243 E CA 0.593 57.020 56.400 0.045 0.000 1.059 243 E CB 0.455 30.166 29.700 0.019 0.000 1.065 243 E HN 0.029 nan 8.360 nan 0.000 0.512 244 T N 1.941 116.503 114.554 0.014 0.000 2.921 244 T HA 0.536 4.886 4.350 -0.000 0.000 0.297 244 T C -0.520 174.192 174.700 0.021 0.000 1.013 244 T CA -0.463 61.644 62.100 0.011 0.000 0.990 244 T CB 1.622 70.494 68.868 0.006 0.000 1.023 244 T HN -0.124 nan 8.240 nan 0.000 0.447 245 I N 3.762 124.340 120.570 0.014 0.000 2.512 245 I HA 0.350 4.520 4.170 -0.000 0.000 0.287 245 I C -2.519 173.639 176.117 0.069 0.000 1.069 245 I CA -2.749 58.571 61.300 0.032 0.000 1.056 245 I CB 1.698 39.669 38.000 -0.049 0.000 1.229 245 I HN 0.345 nan 8.210 nan 0.000 0.429 246 P HA 0.030 nan 4.420 nan 0.000 0.262 246 P C -0.450 176.959 177.300 0.182 0.000 1.182 246 P CA 0.207 63.379 63.100 0.120 0.000 0.761 246 P CB 0.517 32.278 31.700 0.101 0.000 0.795 247 D N 1.863 122.331 120.400 0.113 0.000 2.302 247 D HA 0.409 5.049 4.640 -0.000 0.000 0.248 247 D C 1.075 177.458 176.300 0.137 0.000 1.094 247 D CA 0.571 54.641 54.000 0.116 0.000 0.897 247 D CB 0.141 40.973 40.800 0.054 0.000 1.200 247 D HN 0.586 nan 8.370 nan 0.000 0.429 248 G N 1.851 110.757 108.800 0.177 0.000 2.160 248 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.244 248 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.244 248 G C 0.311 175.261 174.900 0.083 0.000 1.022 248 G CA 0.168 45.342 45.100 0.122 0.000 0.741 248 G HN 0.778 nan 8.290 nan 0.000 0.508 249 A N -0.623 122.237 122.820 0.067 0.000 2.304 249 A HA 0.657 4.977 4.320 -0.000 0.000 0.271 249 A C 1.225 178.737 177.584 -0.119 0.000 1.091 249 A CA 0.497 52.422 52.037 -0.186 0.000 0.812 249 A CB 0.528 19.163 19.000 -0.609 0.000 1.056 249 A HN 0.118 nan 8.150 nan 0.000 0.489 250 D N -0.596 119.732 120.400 -0.121 0.000 2.123 250 D HA 0.015 4.655 4.640 -0.000 0.000 0.200 250 D C 0.329 176.604 176.300 -0.042 0.000 0.976 250 D CA 1.659 55.632 54.000 -0.044 0.000 0.831 250 D CB 0.176 40.959 40.800 -0.027 0.000 0.974 250 D HN 0.241 nan 8.370 nan 0.000 0.469 251 V N 0.215 120.039 119.914 -0.149 0.000 2.686 251 V HA 0.332 4.452 4.120 -0.000 0.000 0.306 251 V C -1.783 174.148 176.094 -0.272 0.000 1.065 251 V CA -0.795 61.452 62.300 -0.088 0.000 0.894 251 V CB 1.497 33.339 31.823 0.031 0.000 1.004 251 V HN -0.077 nan 8.190 nan 0.000 0.424 252 Y N 6.036 126.308 120.300 -0.048 0.000 2.387 252 Y HA 0.772 5.322 4.550 -0.000 0.000 0.336 252 Y C -0.237 175.609 175.900 -0.090 0.000 1.067 252 Y CA -0.719 57.343 58.100 -0.064 0.000 1.114 252 Y CB 1.952 40.366 38.460 -0.076 0.000 1.208 252 Y HN 0.486 nan 8.280 nan 0.000 0.458 253 L N 4.476 125.721 121.223 0.036 0.000 2.362 253 L HA 0.604 4.944 4.340 -0.000 0.000 0.271 253 L C -0.967 175.876 176.870 -0.044 0.000 1.002 253 L CA -0.534 54.287 54.840 -0.032 0.000 0.818 253 L CB 2.210 44.243 42.059 -0.044 0.000 1.298 253 L HN 0.605 nan 8.230 nan 0.000 0.420 254 I N 2.723 123.235 120.570 -0.097 0.000 2.563 254 I HA 0.355 4.525 4.170 -0.000 0.000 0.281 254 I C -1.222 174.804 176.117 -0.151 0.000 1.110 254 I CA -0.357 60.872 61.300 -0.119 0.000 1.073 254 I CB 0.801 38.704 38.000 -0.163 0.000 1.215 254 I HN 0.624 nan 8.210 nan 0.000 0.460 255 K N 6.445 126.772 120.400 -0.122 0.000 2.358 255 K HA 0.406 4.726 4.320 -0.000 0.000 0.260 255 K C -0.258 176.266 176.600 -0.127 0.000 0.956 255 K CA -0.331 55.826 56.287 -0.216 0.000 0.834 255 K CB 0.524 32.906 32.500 -0.197 0.000 1.102 255 K HN 0.648 nan 8.250 nan 0.000 0.431 256 H N 1.400 120.377 119.070 -0.155 0.000 2.741 256 H HA -0.153 4.403 4.556 0.000 0.000 0.305 256 H C 0.398 175.735 175.328 0.015 0.000 1.169 256 H CA 0.818 56.694 56.048 -0.287 0.000 1.144 256 H CB -1.744 28.010 29.762 -0.014 0.000 1.397 256 H HN 0.385 nan 8.280 nan 0.000 0.409 257 V N -0.470 119.522 119.914 0.129 0.000 2.854 257 V HA -0.016 4.104 4.120 -0.000 0.000 0.236 257 V C 2.560 178.904 176.094 0.416 0.000 1.157 257 V CA 0.818 63.292 62.300 0.290 0.000 1.187 257 V CB -0.039 31.837 31.823 0.087 0.000 0.949 257 V HN 0.249 nan 8.190 nan 0.000 0.488 258 L N 1.200 122.585 121.223 0.270 0.000 2.191 258 L HA -0.198 4.142 4.340 -0.000 0.000 0.212 258 L C 2.462 179.642 176.870 0.518 0.000 1.103 258 L CA 2.168 57.250 54.840 0.404 0.000 0.769 258 L CB -0.889 41.373 42.059 0.338 0.000 0.908 258 L HN 0.696 nan 8.230 nan 0.000 0.438 259 H N -2.285 116.986 119.070 0.334 0.000 2.559 259 H HA -0.058 4.498 4.556 0.000 0.000 0.273 259 H C 0.900 176.295 175.328 0.112 0.000 1.000 259 H CA 0.366 56.551 56.048 0.229 0.000 1.195 259 H CB -0.094 29.809 29.762 0.235 0.000 1.368 259 H HN 0.295 nan 8.280 nan 0.000 0.592 260 D N 0.260 120.838 120.400 0.297 0.000 2.347 260 D HA -0.014 4.626 4.640 -0.000 0.000 0.215 260 D C -0.376 175.701 176.300 -0.371 0.000 0.976 260 D CA 0.498 54.400 54.000 -0.163 0.000 0.884 260 D CB 0.076 40.731 40.800 -0.242 0.000 0.915 260 D HN 0.470 nan 8.370 nan 0.000 0.526 261 W N 1.578 123.028 121.300 0.251 0.000 2.761 261 W HA 0.235 4.895 4.660 0.000 0.000 0.340 261 W C 0.232 176.841 176.519 0.150 0.000 1.072 261 W CA -1.241 56.244 57.345 0.233 0.000 1.215 261 W CB 0.866 30.490 29.460 0.274 0.000 1.420 261 W HN -0.254 nan 8.180 nan 0.000 0.519 262 D N -0.125 120.503 120.400 0.381 0.000 2.384 262 D HA 0.006 4.646 4.640 -0.000 0.000 0.244 262 D C 0.743 177.166 176.300 0.204 0.000 1.251 262 D CA 0.018 54.148 54.000 0.217 0.000 0.961 262 D CB 0.579 41.473 40.800 0.158 0.000 1.116 262 D HN 0.291 nan 8.370 nan 0.000 0.484 263 D N -0.531 119.940 120.400 0.119 0.000 2.104 263 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 263 D C 1.356 177.719 176.300 0.104 0.000 0.994 263 D CA 1.210 55.265 54.000 0.092 0.000 0.830 263 D CB -0.288 40.541 40.800 0.048 0.000 0.959 263 D HN 0.423 nan 8.370 nan 0.000 0.452 264 D N 0.651 121.111 120.400 0.099 0.000 2.104 264 D HA -0.134 4.506 4.640 -0.000 0.000 0.194 264 D C 1.548 177.917 176.300 0.116 0.000 0.994 264 D CA 0.973 55.025 54.000 0.086 0.000 0.830 264 D CB -0.279 40.561 40.800 0.068 0.000 0.959 264 D HN 0.201 nan 8.370 nan 0.000 0.452 265 D N -0.167 120.342 120.400 0.182 0.000 2.183 265 D HA -0.064 4.576 4.640 -0.000 0.000 0.203 265 D C 2.255 178.668 176.300 0.188 0.000 0.969 265 D CA 0.205 54.353 54.000 0.246 0.000 0.842 265 D CB -0.031 40.997 40.800 0.380 0.000 0.957 265 D HN 0.066 nan 8.370 nan 0.000 0.484 266 V N 0.645 120.669 119.914 0.182 0.000 2.358 266 V HA -0.184 3.936 4.120 -0.000 0.000 0.246 266 V C 2.627 178.750 176.094 0.048 0.000 1.047 266 V CA 0.926 63.294 62.300 0.112 0.000 1.035 266 V CB -0.288 31.642 31.823 0.179 0.000 0.658 266 V HN 0.055 nan 8.190 nan 0.000 0.452 267 V N -0.134 119.820 119.914 0.065 0.000 2.407 267 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 267 V C 2.579 178.685 176.094 0.020 0.000 1.055 267 V CA 2.011 64.333 62.300 0.036 0.000 1.049 267 V CB -0.769 31.077 31.823 0.039 0.000 0.662 267 V HN 0.490 nan 8.190 nan 0.000 0.455 268 R N -0.248 120.283 120.500 0.052 0.000 2.083 268 R HA -0.147 4.193 4.340 -0.000 0.000 0.237 268 R C 2.229 178.531 176.300 0.003 0.000 1.137 268 R CA 1.891 58.034 56.100 0.071 0.000 0.951 268 R CB -0.475 29.939 30.300 0.191 0.000 0.851 268 R HN 0.433 nan 8.270 nan 0.000 0.434 269 I N 0.740 121.253 120.570 -0.095 0.000 2.179 269 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 269 I C 2.257 178.258 176.117 -0.193 0.000 1.088 269 I CA 1.311 62.451 61.300 -0.266 0.000 1.357 269 I CB -0.266 37.421 38.000 -0.521 0.000 1.051 269 I HN 0.137 nan 8.210 nan 0.000 0.409 270 L N 0.069 121.211 121.223 -0.135 0.000 2.083 270 L HA -0.190 4.150 4.340 -0.000 0.000 0.209 270 L C 2.771 179.578 176.870 -0.105 0.000 1.083 270 L CA 1.362 56.132 54.840 -0.116 0.000 0.752 270 L CB -0.546 41.477 42.059 -0.060 0.000 0.899 270 L HN 0.177 nan 8.230 nan 0.000 0.433 271 R N -0.395 120.061 120.500 -0.072 0.000 2.075 271 R HA -0.160 4.180 4.340 -0.000 0.000 0.232 271 R C 2.429 178.682 176.300 -0.079 0.000 1.126 271 R CA 1.217 57.281 56.100 -0.060 0.000 0.963 271 R CB -0.248 30.034 30.300 -0.031 0.000 0.858 271 R HN 0.250 nan 8.270 nan 0.000 0.435 272 R N 0.827 121.277 120.500 -0.084 0.000 2.092 272 R HA -0.063 4.277 4.340 -0.000 0.000 0.231 272 R C 2.088 178.296 176.300 -0.153 0.000 1.119 272 R CA 1.159 57.203 56.100 -0.092 0.000 0.970 272 R CB -0.103 30.157 30.300 -0.068 0.000 0.864 272 R HN 0.175 nan 8.270 nan 0.000 0.440 273 I N 0.425 120.872 120.570 -0.205 0.000 2.202 273 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 273 I C 2.536 178.460 176.117 -0.322 0.000 1.091 273 I CA 1.203 62.304 61.300 -0.331 0.000 1.368 273 I CB -0.440 37.361 38.000 -0.332 0.000 1.058 273 I HN 0.254 nan 8.210 nan 0.000 0.410 274 A N 0.439 123.136 122.820 -0.206 0.000 1.917 274 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 274 A C 2.370 179.876 177.584 -0.130 0.000 1.182 274 A CA 2.662 54.608 52.037 -0.152 0.000 0.633 274 A CB -1.221 17.721 19.000 -0.097 0.000 0.819 274 A HN 0.411 nan 8.150 nan 0.000 0.448 275 T N 0.072 114.557 114.554 -0.116 0.000 2.833 275 T HA 0.197 4.547 4.350 -0.000 0.000 0.269 275 T C 1.218 175.867 174.700 -0.085 0.000 1.054 275 T CA 0.955 63.006 62.100 -0.081 0.000 1.135 275 T CB -0.437 68.394 68.868 -0.063 0.000 0.869 275 T HN 0.676 nan 8.240 nan 0.000 0.466 279 P HA -0.231 nan 4.420 nan 0.000 0.217 279 P C 0.319 177.626 177.300 0.013 0.000 1.148 279 P CA 1.541 64.646 63.100 0.009 0.000 0.834 279 P CB 0.103 31.806 31.700 0.006 0.000 0.783 280 D N -2.379 118.032 120.400 0.019 0.000 2.339 280 D HA 0.042 4.682 4.640 -0.000 0.000 0.217 280 D C 0.355 176.674 176.300 0.031 0.000 1.050 280 D CA 0.172 54.183 54.000 0.019 0.000 0.856 280 D CB -0.391 40.417 40.800 0.014 0.000 0.922 280 D HN 0.026 nan 8.370 nan 0.000 0.518 281 S N 0.623 116.353 115.700 0.050 0.000 2.584 281 S HA 0.264 4.734 4.470 -0.000 0.000 0.270 281 S C 0.400 175.043 174.600 0.071 0.000 1.346 281 S CA -0.270 57.981 58.200 0.085 0.000 1.018 281 S CB 1.046 64.343 63.200 0.161 0.000 0.899 281 S HN 0.113 nan 8.310 nan 0.000 0.542 282 R N 0.857 121.408 120.500 0.085 0.000 2.750 282 R HA 0.543 4.883 4.340 -0.000 0.000 0.281 282 R C -1.231 175.107 176.300 0.063 0.000 0.972 282 R CA -0.867 55.262 56.100 0.049 0.000 0.912 282 R CB 1.369 31.690 30.300 0.035 0.000 1.187 282 R HN 0.474 nan 8.270 nan 0.000 0.464 283 L N 2.908 124.133 121.223 0.002 0.000 2.322 283 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 283 L C -1.194 175.607 176.870 -0.115 0.000 1.014 283 L CA -0.313 54.515 54.840 -0.021 0.000 0.815 283 L CB 1.278 43.301 42.059 -0.059 0.000 1.247 283 L HN 0.497 nan 8.230 nan 0.000 0.421 284 L N 6.471 127.601 121.223 -0.154 0.000 2.283 284 L HA 0.444 4.784 4.340 -0.000 0.000 0.281 284 L C -0.560 176.184 176.870 -0.209 0.000 1.033 284 L CA -0.869 53.832 54.840 -0.231 0.000 0.848 284 L CB 1.460 43.320 42.059 -0.331 0.000 1.226 284 L HN 0.334 nan 8.230 nan 0.000 0.429 285 V N 5.399 125.165 119.914 -0.246 0.000 2.427 285 V HA 0.240 4.360 4.120 -0.000 0.000 0.268 285 V C 0.381 176.291 176.094 -0.308 0.000 1.046 285 V CA 0.126 62.237 62.300 -0.315 0.000 0.970 285 V CB 1.143 32.682 31.823 -0.474 0.000 1.001 285 V HN 0.502 nan 8.190 nan 0.000 0.476 286 I N 5.399 125.800 120.570 -0.282 0.000 2.359 286 I HA 0.540 4.710 4.170 -0.000 0.000 0.284 286 I C -0.312 175.591 176.117 -0.355 0.000 1.018 286 I CA 0.063 61.200 61.300 -0.272 0.000 1.173 286 I CB 1.098 38.954 38.000 -0.239 0.000 1.326 286 I HN 0.542 nan 8.210 nan 0.000 0.462 287 D N 3.699 123.953 120.400 -0.243 0.000 2.692 287 D HA 0.265 4.905 4.640 -0.000 0.000 0.303 287 D C -1.105 175.252 176.300 0.095 0.000 1.278 287 D CA -0.627 53.292 54.000 -0.134 0.000 0.852 287 D CB 1.874 42.645 40.800 -0.049 0.000 1.375 287 D HN 0.227 nan 8.370 nan 0.000 0.453 288 N N 0.898 119.757 118.700 0.264 0.000 2.442 288 N HA 0.243 4.983 4.740 -0.000 0.000 0.265 288 N C -0.525 175.136 175.510 0.251 0.000 1.138 288 N CA -0.156 53.055 53.050 0.268 0.000 0.956 288 N CB 0.640 39.315 38.487 0.314 0.000 1.067 288 N HN 0.209 nan 8.380 nan 0.000 0.474 289 L N 3.280 124.617 121.223 0.191 0.000 2.307 289 L HA 0.412 4.752 4.340 -0.000 0.000 0.284 289 L C 0.096 177.042 176.870 0.127 0.000 1.023 289 L CA -0.559 54.392 54.840 0.185 0.000 0.810 289 L CB 1.217 43.374 42.059 0.163 0.000 1.231 289 L HN 0.350 nan 8.230 nan 0.000 0.423 290 I N 3.579 124.211 120.570 0.102 0.000 2.396 290 I HA 0.152 4.322 4.170 -0.000 0.000 0.289 290 I C 0.217 176.365 176.117 0.052 0.000 1.056 290 I CA -0.313 61.024 61.300 0.063 0.000 1.365 290 I CB 0.546 38.566 38.000 0.034 0.000 1.407 290 I HN 0.636 nan 8.210 nan 0.000 0.509 291 D N 5.255 125.683 120.400 0.046 0.000 2.570 291 D HA 0.203 4.843 4.640 -0.000 0.000 0.266 291 D C 0.649 176.963 176.300 0.024 0.000 1.182 291 D CA -0.294 53.728 54.000 0.037 0.000 1.088 291 D CB 0.475 41.299 40.800 0.040 0.000 1.186 291 D HN 0.206 nan 8.370 nan 0.000 0.618 292 E N -1.212 119.000 120.200 0.020 0.000 2.152 292 E HA 0.020 4.370 4.350 -0.000 0.000 0.192 292 E C 0.545 177.151 176.600 0.009 0.000 0.983 292 E CA 0.876 57.284 56.400 0.013 0.000 0.818 292 E CB -0.016 29.691 29.700 0.013 0.000 0.758 292 E HN 0.287 nan 8.360 nan 0.000 0.467 293 R N 0.845 121.352 120.500 0.013 0.000 2.639 293 R HA 0.228 4.568 4.340 -0.000 0.000 0.273 293 R C -2.645 173.662 176.300 0.013 0.000 1.732 293 R CA -1.771 54.334 56.100 0.009 0.000 1.586 293 R CB 0.643 30.948 30.300 0.009 0.000 1.263 293 R HN -0.008 nan 8.270 nan 0.000 0.615 294 P HA 0.091 nan 4.420 nan 0.000 0.268 294 P C -0.549 176.758 177.300 0.012 0.000 1.205 294 P CA -0.154 62.956 63.100 0.017 0.000 0.771 294 P CB 0.982 32.687 31.700 0.009 0.000 0.858 295 A N 2.607 125.445 122.820 0.029 0.000 2.425 295 A HA 0.412 4.732 4.320 -0.000 0.000 0.242 295 A C 1.702 179.300 177.584 0.024 0.000 1.077 295 A CA 0.273 52.331 52.037 0.034 0.000 0.781 295 A CB -0.247 18.786 19.000 0.056 0.000 1.020 295 A HN 0.609 nan 8.150 nan 0.000 0.494 296 A N 1.461 124.297 122.820 0.025 0.000 1.917 296 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 296 A C 2.501 180.146 177.584 0.103 0.000 1.182 296 A CA 2.601 54.629 52.037 -0.014 0.000 0.633 296 A CB -1.092 17.954 19.000 0.077 0.000 0.819 296 A HN 1.263 nan 8.150 nan 0.000 0.448 297 S N -1.259 114.574 115.700 0.222 0.000 2.383 297 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 297 S C 2.031 176.756 174.600 0.207 0.000 1.030 297 S CA 2.205 60.577 58.200 0.286 0.000 1.002 297 S CB -0.606 62.700 63.200 0.176 0.000 0.829 297 S HN 0.642 nan 8.310 nan 0.000 0.467 298 T N 2.531 117.159 114.554 0.123 0.000 2.821 298 T HA 0.068 4.418 4.350 -0.000 0.000 0.267 298 T C 1.671 176.414 174.700 0.073 0.000 1.046 298 T CA 1.310 63.471 62.100 0.101 0.000 1.139 298 T CB -0.270 68.646 68.868 0.080 0.000 0.871 298 T HN 0.344 nan 8.240 nan 0.000 0.454 299 L N -0.514 120.710 121.223 0.002 0.000 2.156 299 L HA 0.050 4.390 4.340 -0.000 0.000 0.208 299 L C 2.208 179.035 176.870 -0.071 0.000 1.095 299 L CA 0.929 55.722 54.840 -0.078 0.000 0.770 299 L CB -0.545 41.404 42.059 -0.183 0.000 0.914 299 L HN 0.197 nan 8.230 nan 0.000 0.439 300 F N -0.163 119.818 119.950 0.052 0.000 2.134 300 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 300 F C 2.433 178.294 175.800 0.103 0.000 1.097 300 F CA 1.203 59.245 58.000 0.070 0.000 1.264 300 F CB -0.860 38.162 39.000 0.037 0.000 1.001 300 F HN -0.237 nan 8.300 nan 0.000 0.479 301 V N -0.013 120.058 119.914 0.262 0.000 2.407 301 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 301 V C 2.028 178.179 176.094 0.094 0.000 1.055 301 V CA 2.151 64.556 62.300 0.174 0.000 1.049 301 V CB -0.697 31.208 31.823 0.137 0.000 0.662 301 V HN 0.300 nan 8.190 nan 0.000 0.455 302 D N -0.216 120.228 120.400 0.073 0.000 2.123 302 D HA -0.219 4.421 4.640 -0.000 0.000 0.196 302 D C 1.956 178.260 176.300 0.006 0.000 0.992 302 D CA 1.291 55.300 54.000 0.015 0.000 0.833 302 D CB -0.089 40.717 40.800 0.009 0.000 0.954 302 D HN 0.285 nan 8.370 nan 0.000 0.455 303 L N -0.053 121.217 121.223 0.078 0.000 2.093 303 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 303 L C 2.072 178.982 176.870 0.066 0.000 1.085 303 L CA 1.075 55.978 54.840 0.105 0.000 0.755 303 L CB -0.713 41.502 42.059 0.260 0.000 0.904 303 L HN 0.233 nan 8.230 nan 0.000 0.435 304 L N -0.988 120.360 121.223 0.208 0.000 2.042 304 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 304 L C 2.282 179.051 176.870 -0.168 0.000 1.076 304 L CA 1.789 56.703 54.840 0.124 0.000 0.749 304 L CB -0.530 41.697 42.059 0.281 0.000 0.893 304 L HN 0.249 nan 8.230 nan 0.000 0.432 305 L N -1.300 119.824 121.223 -0.166 0.000 2.042 305 L HA -0.231 4.109 4.340 -0.000 0.000 0.210 305 L C 2.505 179.204 176.870 -0.285 0.000 1.076 305 L CA 1.259 55.931 54.840 -0.279 0.000 0.749 305 L CB -0.770 41.118 42.059 -0.285 0.000 0.893 305 L HN 0.393 nan 8.230 nan 0.000 0.432 306 L N -0.496 120.593 121.223 -0.224 0.000 1.989 306 L HA -0.179 4.160 4.340 -0.000 0.000 0.211 306 L C 2.380 179.079 176.870 -0.286 0.000 1.071 306 L CA 1.769 56.481 54.840 -0.213 0.000 0.749 306 L CB -0.494 41.467 42.059 -0.165 0.000 0.890 306 L HN -0.091 nan 8.230 nan 0.000 0.431 307 V N -0.296 119.366 119.914 -0.419 0.000 2.295 307 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 307 V C 2.534 178.379 176.094 -0.416 0.000 1.049 307 V CA 2.157 64.133 62.300 -0.540 0.000 1.024 307 V CB -0.477 30.690 31.823 -1.094 0.000 0.648 307 V HN 0.467 nan 8.190 nan 0.000 0.447 308 L N 0.003 120.936 121.223 -0.485 0.000 2.068 308 L HA -0.009 4.330 4.340 -0.000 0.000 0.204 308 L C 1.817 178.313 176.870 -0.623 0.000 1.076 308 L CA 1.603 56.086 54.840 -0.595 0.000 0.753 308 L CB -0.246 41.236 42.059 -0.962 0.000 0.910 308 L HN 0.455 nan 8.230 nan 0.000 0.439 309 V N -5.154 114.419 119.914 -0.568 0.000 3.337 309 V HA 0.520 4.640 4.120 -0.000 0.000 0.307 309 V C 0.931 176.843 176.094 -0.304 0.000 1.505 309 V CA 0.127 62.118 62.300 -0.515 0.000 1.072 309 V CB 0.006 31.409 31.823 -0.700 0.000 0.929 309 V HN 0.433 nan 8.190 nan 0.000 0.455 310 G N 0.327 108.983 108.800 -0.240 0.000 2.198 310 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.260 310 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.260 310 G C 0.630 175.458 174.900 -0.120 0.000 1.025 310 G CA 0.563 45.578 45.100 -0.143 0.000 0.769 310 G HN 1.432 nan 8.290 nan 0.000 0.507 311 G N -1.100 107.594 108.800 -0.177 0.000 2.535 311 G HA2 0.928 4.888 3.960 -0.000 0.000 0.282 311 G HA3 0.928 4.888 3.960 -0.000 0.000 0.282 311 G C 0.042 174.884 174.900 -0.097 0.000 1.350 311 G CA 0.315 45.339 45.100 -0.126 0.000 1.039 311 G HN 1.864 nan 8.290 nan 0.000 0.509 312 A N -1.126 121.660 122.820 -0.057 0.000 2.583 312 A HA 0.565 4.885 4.320 -0.000 0.000 0.298 312 A C -0.747 176.845 177.584 0.014 0.000 1.055 312 A CA -0.674 51.340 52.037 -0.038 0.000 0.714 312 A CB 1.126 20.104 19.000 -0.037 0.000 1.277 312 A HN 0.485 nan 8.150 nan 0.000 0.406 313 E N 1.000 121.216 120.200 0.028 0.000 2.373 313 E HA 0.501 4.851 4.350 -0.000 0.000 0.263 313 E C -0.233 176.355 176.600 -0.020 0.000 1.073 313 E CA -0.082 56.370 56.400 0.087 0.000 0.894 313 E CB 1.030 30.798 29.700 0.114 0.000 1.008 313 E HN 0.548 nan 8.360 nan 0.000 0.420 314 R N 0.068 120.519 120.500 -0.082 0.000 2.854 314 R HA 0.336 4.676 4.340 -0.000 0.000 0.271 314 R C -0.067 176.177 176.300 -0.092 0.000 0.994 314 R CA -0.642 55.308 56.100 -0.250 0.000 0.945 314 R CB 1.780 31.603 30.300 -0.794 0.000 1.194 314 R HN 0.645 nan 8.270 nan 0.000 0.476 315 S N -0.499 115.160 115.700 -0.069 0.000 2.645 315 S HA 0.050 4.520 4.470 -0.000 0.000 0.266 315 S C 1.001 175.665 174.600 0.105 0.000 1.258 315 S CA -0.567 57.652 58.200 0.032 0.000 0.990 315 S CB 1.531 64.740 63.200 0.015 0.000 0.967 315 S HN 0.832 nan 8.310 nan 0.000 0.556 316 E N 0.699 120.991 120.200 0.154 0.000 2.110 316 E HA -0.186 4.164 4.350 -0.000 0.000 0.193 316 E C 2.012 178.703 176.600 0.152 0.000 0.988 316 E CA 1.576 58.096 56.400 0.200 0.000 0.804 316 E CB -0.326 29.449 29.700 0.124 0.000 0.745 316 E HN 0.848 nan 8.360 nan 0.000 0.458 317 S N 0.050 115.799 115.700 0.082 0.000 2.383 317 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 317 S C 1.781 176.405 174.600 0.041 0.000 1.026 317 S CA 1.114 59.347 58.200 0.055 0.000 0.981 317 S CB -0.231 62.988 63.200 0.031 0.000 0.818 317 S HN 0.297 nan 8.310 nan 0.000 0.472 318 E N 0.363 120.564 120.200 0.002 0.000 2.077 318 E HA -0.047 4.303 4.350 -0.000 0.000 0.193 318 E C 1.648 178.223 176.600 -0.042 0.000 0.989 318 E CA 1.313 57.677 56.400 -0.060 0.000 0.800 318 E CB -0.290 29.321 29.700 -0.149 0.000 0.746 318 E HN 0.541 nan 8.360 nan 0.000 0.452 319 F N 0.847 120.810 119.950 0.022 0.000 2.134 319 F HA -0.166 4.362 4.527 0.000 0.000 0.299 319 F C 2.379 178.183 175.800 0.007 0.000 1.097 319 F CA 1.161 59.171 58.000 0.016 0.000 1.264 319 F CB -0.775 38.232 39.000 0.012 0.000 1.001 319 F HN 0.002 nan 8.300 nan 0.000 0.479 320 A N -0.124 122.815 122.820 0.199 0.000 1.940 320 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 320 A C 2.438 180.066 177.584 0.074 0.000 1.176 320 A CA 1.897 53.999 52.037 0.108 0.000 0.631 320 A CB -1.337 17.709 19.000 0.076 0.000 0.814 320 A HN 0.320 nan 8.150 nan 0.000 0.446 321 A N -0.252 122.605 122.820 0.062 0.000 1.902 321 A HA -0.051 4.269 4.320 -0.000 0.000 0.217 321 A C 2.163 179.773 177.584 0.044 0.000 1.181 321 A CA 1.556 53.616 52.037 0.039 0.000 0.623 321 A CB -0.589 18.424 19.000 0.022 0.000 0.818 321 A HN 0.489 nan 8.150 nan 0.000 0.443 322 L N -0.830 120.431 121.223 0.064 0.000 2.093 322 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 322 L C 2.511 179.419 176.870 0.064 0.000 1.085 322 L CA 0.752 55.633 54.840 0.069 0.000 0.755 322 L CB -0.553 41.566 42.059 0.101 0.000 0.904 322 L HN 0.342 nan 8.230 nan 0.000 0.435 323 L N -0.380 120.889 121.223 0.077 0.000 2.046 323 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 323 L C 2.828 179.710 176.870 0.020 0.000 1.077 323 L CA 1.128 55.992 54.840 0.040 0.000 0.747 323 L CB -0.564 41.517 42.059 0.037 0.000 0.896 323 L HN 0.318 nan 8.230 nan 0.000 0.432 324 E N 1.159 121.374 120.200 0.025 0.000 2.058 324 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 324 E C 1.948 178.553 176.600 0.010 0.000 0.997 324 E CA 1.471 57.879 56.400 0.014 0.000 0.801 324 E CB 0.031 29.740 29.700 0.016 0.000 0.746 324 E HN 0.436 nan 8.360 nan 0.000 0.450 325 K N -0.111 120.297 120.400 0.014 0.000 2.515 325 K HA 0.008 4.328 4.320 -0.000 0.000 0.196 325 K C 1.506 178.109 176.600 0.004 0.000 1.038 325 K CA 0.732 57.025 56.287 0.011 0.000 0.967 325 K CB 0.138 32.647 32.500 0.016 0.000 0.780 325 K HN -0.055 nan 8.250 nan 0.000 0.483 326 S N -0.643 115.057 115.700 0.001 0.000 2.559 326 S HA 0.157 4.627 4.470 -0.000 0.000 0.226 326 S C 0.808 175.394 174.600 -0.023 0.000 1.000 326 S CA 0.227 58.420 58.200 -0.013 0.000 0.948 326 S CB 1.316 64.506 63.200 -0.017 0.000 0.870 326 S HN 0.516 nan 8.310 nan 0.000 0.497 327 G N 1.717 110.507 108.800 -0.016 0.000 2.160 327 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.244 327 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.244 327 G C -0.197 174.688 174.900 -0.024 0.000 1.022 327 G CA 0.108 45.197 45.100 -0.019 0.000 0.741 327 G HN 0.443 nan 8.290 nan 0.000 0.508 328 L N -0.963 120.247 121.223 -0.021 0.000 2.301 328 L HA 0.931 5.271 4.340 -0.000 0.000 0.264 328 L C 0.535 177.396 176.870 -0.014 0.000 1.016 328 L CA -1.451 53.373 54.840 -0.026 0.000 0.821 328 L CB 2.142 44.177 42.059 -0.039 0.000 1.346 328 L HN 0.440 nan 8.230 nan 0.000 0.429 329 R N -0.199 120.291 120.500 -0.015 0.000 2.707 329 R HA 0.650 4.990 4.340 -0.000 0.000 0.272 329 R C -1.817 174.476 176.300 -0.011 0.000 1.011 329 R CA -0.866 55.230 56.100 -0.007 0.000 0.893 329 R CB 1.588 31.886 30.300 -0.004 0.000 1.233 329 R HN 0.229 nan 8.270 nan 0.000 0.464 330 V N 2.506 122.417 119.914 -0.004 0.000 2.508 330 V HA 0.025 4.145 4.120 -0.000 0.000 0.281 330 V C 1.034 177.124 176.094 -0.006 0.000 1.041 330 V CA 0.175 62.470 62.300 -0.009 0.000 1.016 330 V CB 1.059 32.883 31.823 0.002 0.000 0.984 330 V HN 0.959 nan 8.190 nan 0.000 0.478 331 E N 4.308 124.502 120.200 -0.010 0.000 2.075 331 E HA 0.103 4.453 4.350 -0.000 0.000 0.190 331 E C 0.767 177.367 176.600 -0.001 0.000 0.969 331 E CA 0.766 57.163 56.400 -0.004 0.000 0.815 331 E CB 0.362 30.061 29.700 -0.001 0.000 0.776 331 E HN 0.803 nan 8.360 nan 0.000 0.457 332 R N -1.638 118.862 120.500 -0.001 0.000 2.741 332 R HA 0.466 4.806 4.340 -0.000 0.000 0.276 332 R C -1.505 174.795 176.300 0.001 0.000 1.028 332 R CA -0.510 55.592 56.100 0.003 0.000 0.865 332 R CB 0.784 31.087 30.300 0.005 0.000 1.268 332 R HN 0.040 nan 8.270 nan 0.000 0.475 333 S N 1.163 116.866 115.700 0.005 0.000 2.521 333 S HA 0.684 5.154 4.470 -0.000 0.000 0.295 333 S C -0.564 174.044 174.600 0.013 0.000 1.098 333 S CA -0.839 57.362 58.200 0.002 0.000 0.999 333 S CB 1.387 64.591 63.200 0.006 0.000 1.034 333 S HN 0.505 nan 8.310 nan 0.000 0.483 334 L N 2.974 124.207 121.223 0.016 0.000 2.342 334 L HA 0.676 5.016 4.340 -0.000 0.000 0.271 334 L C -2.391 174.496 176.870 0.029 0.000 1.008 334 L CA -2.657 52.200 54.840 0.028 0.000 0.818 334 L CB 2.214 44.303 42.059 0.050 0.000 1.296 334 L HN 0.479 nan 8.230 nan 0.000 0.427 335 P HA 0.049 nan 4.420 nan 0.000 0.274 335 P C -1.036 176.290 177.300 0.043 0.000 1.231 335 P CA -0.417 62.705 63.100 0.037 0.000 0.790 335 P CB 1.334 33.055 31.700 0.036 0.000 0.951 336 C N 2.976 122.303 119.300 0.046 0.000 2.949 336 C HA 0.638 5.098 4.460 -0.000 0.000 0.306 336 C C 0.711 175.736 174.990 0.057 0.000 1.045 336 C CA 0.945 59.995 59.018 0.052 0.000 1.414 336 C CB -0.850 26.915 27.740 0.041 0.000 1.854 336 C HN 1.019 nan 8.230 nan 0.000 0.487 337 G N 3.963 112.797 108.800 0.057 0.000 2.740 337 G HA2 0.265 4.225 3.960 -0.000 0.000 0.250 337 G HA3 0.265 4.225 3.960 -0.000 0.000 0.250 337 G C 0.260 175.194 174.900 0.056 0.000 1.358 337 G CA 0.050 45.183 45.100 0.056 0.000 0.897 337 G HN 2.081 nan 8.290 nan 0.000 0.567 338 A N -0.673 122.180 122.820 0.056 0.000 2.346 338 A HA 0.921 5.241 4.320 -0.000 0.000 0.252 338 A C 1.698 179.323 177.584 0.068 0.000 1.089 338 A CA 1.881 53.952 52.037 0.056 0.000 0.797 338 A CB 0.184 19.215 19.000 0.051 0.000 1.047 338 A HN 3.048 nan 8.150 nan 0.000 0.494 339 G N -0.165 108.676 108.800 0.068 0.000 2.548 339 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.208 339 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.208 339 G C -2.025 172.926 174.900 0.085 0.000 1.308 339 G CA -0.026 45.123 45.100 0.081 0.000 0.924 339 G HN 0.871 nan 8.290 nan 0.000 0.540 340 P HA 0.347 nan 4.420 nan 0.000 0.261 340 P C 0.524 177.893 177.300 0.115 0.000 1.268 340 P CA -0.007 63.156 63.100 0.105 0.000 0.833 340 P CB 0.404 32.176 31.700 0.120 0.000 1.231 341 V N 1.689 121.675 119.914 0.120 0.000 2.585 341 V HA 0.079 4.199 4.120 -0.000 0.000 0.296 341 V C 0.891 177.020 176.094 0.058 0.000 1.035 341 V CA 0.382 62.745 62.300 0.105 0.000 1.084 341 V CB -0.030 31.858 31.823 0.108 0.000 0.953 341 V HN 0.102 nan 8.190 nan 0.000 0.483 342 R N 3.787 124.304 120.500 0.028 0.000 2.837 342 R HA 0.654 4.994 4.340 -0.000 0.000 0.271 342 R C -1.262 175.011 176.300 -0.044 0.000 0.993 342 R CA -1.012 55.092 56.100 0.007 0.000 0.931 342 R CB 2.473 32.786 30.300 0.022 0.000 1.206 342 R HN 0.544 nan 8.270 nan 0.000 0.474 343 I N 2.040 122.586 120.570 -0.041 0.000 2.312 343 I HA 0.221 4.391 4.170 -0.000 0.000 0.290 343 I C -0.417 175.648 176.117 -0.088 0.000 1.008 343 I CA -0.713 60.536 61.300 -0.084 0.000 1.226 343 I CB 1.708 39.673 38.000 -0.059 0.000 1.371 343 I HN 0.134 nan 8.210 nan 0.000 0.468 344 V N 6.414 126.243 119.914 -0.142 0.000 2.333 344 V HA 0.195 4.315 4.120 -0.000 0.000 0.274 344 V C 0.312 176.325 176.094 -0.136 0.000 1.028 344 V CA -0.616 61.607 62.300 -0.128 0.000 0.851 344 V CB 1.097 32.814 31.823 -0.177 0.000 1.000 344 V HN 0.709 nan 8.190 nan 0.000 0.456 345 E N 5.221 125.372 120.200 -0.082 0.000 2.229 345 E HA 0.560 4.910 4.350 -0.000 0.000 0.283 345 E C -1.155 175.413 176.600 -0.053 0.000 1.030 345 E CA -0.378 55.980 56.400 -0.070 0.000 0.836 345 E CB 0.934 30.648 29.700 0.024 0.000 1.068 345 E HN 0.636 nan 8.360 nan 0.000 0.401 346 I N 4.503 125.035 120.570 -0.063 0.000 2.647 346 I HA 0.444 4.614 4.170 -0.000 0.000 0.295 346 I C -0.241 175.856 176.117 -0.033 0.000 1.078 346 I CA -0.808 60.462 61.300 -0.051 0.000 1.048 346 I CB 1.997 39.950 38.000 -0.077 0.000 1.239 346 I HN 0.568 nan 8.210 nan 0.000 0.421 347 R N 3.729 124.214 120.500 -0.024 0.000 2.888 347 R HA 0.717 5.057 4.340 -0.000 0.000 0.264 347 R C -0.963 175.324 176.300 -0.022 0.000 1.045 347 R CA -1.150 54.940 56.100 -0.016 0.000 0.962 347 R CB 1.203 31.499 30.300 -0.006 0.000 1.210 347 R HN 0.403 nan 8.270 nan 0.000 0.479 348 R N 0.380 120.868 120.500 -0.020 0.000 2.543 348 R HA 0.277 4.617 4.340 -0.000 0.000 0.277 348 R C 0.189 176.480 176.300 -0.016 0.000 1.074 348 R CA 0.278 56.364 56.100 -0.023 0.000 1.076 348 R CB 0.968 31.255 30.300 -0.023 0.000 0.993 348 R HN 0.722 nan 8.270 nan 0.000 0.459 349 A N 0.000 122.810 122.820 -0.016 0.000 2.254 349 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 349 A CA 0.000 52.031 52.037 -0.011 0.000 0.836 349 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 349 A HN 0.000 nan 8.150 nan 0.000 0.486