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 2q74_1_A DATA FIRST_RESID 5 DATA SEQUENCE DNEPARLRSV AENLAAEAAA FVRGRRAEVF XXXXXXXXXX XXXXXXXXXD DATA SEQUENCE PVTVVDTDTE RLLRDRLAQL RPGDPILGEE GXXXXXXXXX XXXRVTWVLD DATA SEQUENCE PIDGTVNFVY GIPAYAVSIG AQVGGITVAG AVADVAARTV YSAATGLGAH DATA SEQUENCE LTDERGRHVL RCTGVDELSM ALLGTGFGYS VRCREKQAEL LAHVVPLVRD DATA SEQUENCE VRRIGSAALD LCMVAAGRLD AYYEHGVQVW DCAAGALIAA EAGARVLLSX DATA SEQUENCE XXXXXAGLVV VAAAPGIADE LLAALQRFNG LE 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.329 176.300 0.049 0.000 2.045 5 D CA 0.000 54.024 54.000 0.039 0.000 0.868 5 D CB 0.000 40.818 40.800 0.030 0.000 0.688 6 N N 0.519 119.247 118.700 0.048 0.000 2.804 6 N HA -0.059 4.681 4.740 0.000 0.000 0.190 6 N C -1.272 174.252 175.510 0.024 0.000 1.303 6 N CA 0.272 53.348 53.050 0.044 0.000 2.109 6 N CB 0.216 38.723 38.487 0.033 0.000 1.106 6 N HN 0.204 nan 8.380 nan 0.000 0.740 7 E N 0.921 121.137 120.200 0.028 0.000 2.318 7 E HA 0.294 4.644 4.350 0.000 0.000 0.265 7 E C -1.639 174.975 176.600 0.023 0.000 1.069 7 E CA -1.665 54.747 56.400 0.019 0.000 0.893 7 E CB 0.906 30.619 29.700 0.022 0.000 1.076 7 E HN -0.016 nan 8.360 nan 0.000 0.414 8 P HA -0.292 nan 4.420 nan 0.000 0.215 8 P C 1.115 178.439 177.300 0.041 0.000 1.157 8 P CA 1.836 64.946 63.100 0.016 0.000 0.874 8 P CB -0.016 31.691 31.700 0.011 0.000 0.790 9 A N 0.219 123.065 122.820 0.043 0.000 1.883 9 A HA -0.239 4.081 4.320 0.000 0.000 0.217 9 A C 2.628 180.250 177.584 0.063 0.000 1.186 9 A CA 3.022 55.090 52.037 0.053 0.000 0.624 9 A CB -1.624 17.402 19.000 0.043 0.000 0.822 9 A HN 0.229 nan 8.150 nan 0.000 0.444 10 R N -0.866 119.672 120.500 0.063 0.000 2.092 10 R HA 0.068 4.409 4.340 0.000 0.000 0.231 10 R C 1.950 178.324 176.300 0.124 0.000 1.119 10 R CA 1.672 57.819 56.100 0.078 0.000 0.970 10 R CB -1.334 29.008 30.300 0.070 0.000 0.864 10 R HN 0.415 nan 8.270 nan 0.000 0.440 11 L N 1.149 122.451 121.223 0.132 0.000 2.141 11 L HA -0.040 4.300 4.340 0.000 0.000 0.209 11 L C 2.681 179.697 176.870 0.244 0.000 1.094 11 L CA 2.341 57.309 54.840 0.213 0.000 0.763 11 L CB -0.895 41.200 42.059 0.061 0.000 0.908 11 L HN 0.647 nan 8.230 nan 0.000 0.437 12 R N -1.285 119.303 120.500 0.147 0.000 2.119 12 R HA -0.027 4.313 4.340 0.000 0.000 0.222 12 R C 2.153 178.532 176.300 0.131 0.000 1.088 12 R CA 1.312 57.496 56.100 0.140 0.000 0.984 12 R CB -0.282 30.080 30.300 0.103 0.000 0.884 12 R HN 0.069 nan 8.270 nan 0.000 0.447 13 S N 0.959 116.723 115.700 0.107 0.000 2.356 13 S HA -0.125 4.345 4.470 0.000 0.000 0.223 13 S C 2.031 176.670 174.600 0.066 0.000 1.032 13 S CA 1.522 59.766 58.200 0.073 0.000 1.005 13 S CB -0.212 63.020 63.200 0.053 0.000 0.867 13 S HN 0.445 nan 8.310 nan 0.000 0.449 14 V N 0.510 120.477 119.914 0.088 0.000 2.515 14 V HA -0.017 4.103 4.120 0.000 0.000 0.250 14 V C 2.241 178.343 176.094 0.015 0.000 1.058 14 V CA 1.509 63.819 62.300 0.018 0.000 1.064 14 V CB -1.403 30.410 31.823 -0.016 0.000 0.675 14 V HN 0.398 nan 8.190 nan 0.000 0.461 15 A N 0.488 123.405 122.820 0.163 0.000 1.898 15 A HA -0.170 4.150 4.320 0.000 0.000 0.216 15 A C 2.141 179.789 177.584 0.107 0.000 1.181 15 A CA 1.845 54.002 52.037 0.200 0.000 0.620 15 A CB -0.605 18.576 19.000 0.303 0.000 0.819 15 A HN 0.668 nan 8.150 nan 0.000 0.442 16 E N -0.050 120.203 120.200 0.089 0.000 2.072 16 E HA -0.163 4.187 4.350 0.000 0.000 0.191 16 E C 1.825 178.445 176.600 0.033 0.000 0.985 16 E CA 1.162 57.599 56.400 0.062 0.000 0.801 16 E CB -0.167 29.564 29.700 0.052 0.000 0.750 16 E HN 0.531 nan 8.360 nan 0.000 0.452 17 N N 0.728 119.437 118.700 0.016 0.000 2.106 17 N HA -0.110 4.630 4.740 0.000 0.000 0.188 17 N C 1.952 177.452 175.510 -0.018 0.000 1.029 17 N CA 0.860 53.906 53.050 -0.006 0.000 0.848 17 N CB -0.234 38.242 38.487 -0.020 0.000 1.007 17 N HN 0.141 nan 8.380 nan 0.000 0.423 18 L N 0.688 121.888 121.223 -0.038 0.000 2.046 18 L HA -0.087 4.253 4.340 0.000 0.000 0.208 18 L C 2.423 179.286 176.870 -0.011 0.000 1.077 18 L CA 1.046 55.851 54.840 -0.058 0.000 0.747 18 L CB -0.591 41.396 42.059 -0.121 0.000 0.896 18 L HN 0.115 nan 8.230 nan 0.000 0.432 19 A N 0.259 123.093 122.820 0.024 0.000 1.883 19 A HA -0.222 4.099 4.320 0.000 0.000 0.217 19 A C 2.538 180.155 177.584 0.056 0.000 1.186 19 A CA 1.983 54.053 52.037 0.055 0.000 0.624 19 A CB -0.741 18.306 19.000 0.079 0.000 0.822 19 A HN 0.416 nan 8.150 nan 0.000 0.444 20 A N -0.540 122.305 122.820 0.041 0.000 1.877 20 A HA -0.175 4.145 4.320 0.000 0.000 0.216 20 A C 1.948 179.561 177.584 0.048 0.000 1.186 20 A CA 1.697 53.758 52.037 0.040 0.000 0.620 20 A CB -0.600 18.413 19.000 0.022 0.000 0.822 20 A HN 0.638 nan 8.150 nan 0.000 0.443 21 E N -0.396 119.823 120.200 0.031 0.000 2.033 21 E HA -0.198 4.152 4.350 0.000 0.000 0.199 21 E C 2.362 179.007 176.600 0.075 0.000 1.011 21 E CA 1.203 57.623 56.400 0.034 0.000 0.815 21 E CB -0.311 29.381 29.700 -0.012 0.000 0.755 21 E HN 0.604 nan 8.360 nan 0.000 0.451 22 A N 1.235 124.090 122.820 0.058 0.000 1.933 22 A HA -0.135 4.185 4.320 0.000 0.000 0.218 22 A C 2.351 180.046 177.584 0.186 0.000 1.175 22 A CA 1.744 53.843 52.037 0.103 0.000 0.628 22 A CB -0.628 18.404 19.000 0.052 0.000 0.814 22 A HN 0.320 nan 8.150 nan 0.000 0.444 23 A N 0.039 122.946 122.820 0.145 0.000 1.883 23 A HA 0.106 4.426 4.320 0.000 0.000 0.217 23 A C 2.534 180.219 177.584 0.168 0.000 1.186 23 A CA 2.270 54.402 52.037 0.158 0.000 0.624 23 A CB -1.150 17.920 19.000 0.116 0.000 0.822 23 A HN 1.144 nan 8.150 nan 0.000 0.444 24 A N -1.473 121.434 122.820 0.145 0.000 1.940 24 A HA -0.100 4.220 4.320 0.000 0.000 0.219 24 A C 2.061 179.750 177.584 0.174 0.000 1.176 24 A CA 1.764 53.881 52.037 0.135 0.000 0.631 24 A CB -0.678 18.388 19.000 0.110 0.000 0.814 24 A HN 0.718 nan 8.150 nan 0.000 0.446 25 F N 0.286 120.270 119.950 0.058 0.000 2.163 25 F HA -0.072 4.455 4.527 0.000 0.000 0.297 25 F C 2.226 178.078 175.800 0.086 0.000 1.094 25 F CA 1.650 59.682 58.000 0.055 0.000 1.290 25 F CB -0.237 38.782 39.000 0.032 0.000 1.017 25 F HN 0.016 nan 8.300 nan 0.000 0.483 26 V N 1.013 121.045 119.914 0.197 0.000 2.287 26 V HA -0.321 3.800 4.120 0.000 0.000 0.248 26 V C 2.555 178.747 176.094 0.164 0.000 1.053 26 V CA 2.349 64.745 62.300 0.160 0.000 1.027 26 V CB -0.807 31.177 31.823 0.268 0.000 0.646 26 V HN 0.311 nan 8.190 nan 0.000 0.447 27 R N 0.337 120.941 120.500 0.173 0.000 2.091 27 R HA -0.141 4.199 4.340 0.000 0.000 0.238 27 R C 2.259 178.598 176.300 0.065 0.000 1.136 27 R CA 1.951 58.142 56.100 0.152 0.000 0.959 27 R CB -0.773 29.605 30.300 0.129 0.000 0.856 27 R HN 0.528 nan 8.270 nan 0.000 0.437 28 G N -0.069 108.731 108.800 -0.002 0.000 2.396 28 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 28 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 28 G C 1.340 176.170 174.900 -0.117 0.000 1.166 28 G CA 0.049 45.114 45.100 -0.058 0.000 0.793 28 G HN 0.137 nan 8.290 nan 0.000 0.533 29 R N 0.282 120.636 120.500 -0.244 0.000 2.092 29 R HA 0.036 4.376 4.340 0.000 0.000 0.231 29 R C 2.479 178.764 176.300 -0.025 0.000 1.119 29 R CA 0.955 56.906 56.100 -0.248 0.000 0.970 29 R CB -0.611 29.408 30.300 -0.467 0.000 0.864 29 R HN 0.386 nan 8.270 nan 0.000 0.440 30 R N 0.486 121.052 120.500 0.110 0.000 2.083 30 R HA -0.113 4.227 4.340 0.000 0.000 0.237 30 R C 2.053 178.457 176.300 0.174 0.000 1.137 30 R CA 1.715 57.952 56.100 0.229 0.000 0.951 30 R CB -0.242 30.119 30.300 0.101 0.000 0.851 30 R HN 0.185 nan 8.270 nan 0.000 0.434 31 A N 0.859 123.723 122.820 0.074 0.000 1.933 31 A HA -0.192 4.128 4.320 0.000 0.000 0.218 31 A C 1.888 179.497 177.584 0.041 0.000 1.175 31 A CA 1.676 53.745 52.037 0.054 0.000 0.628 31 A CB -0.392 18.620 19.000 0.021 0.000 0.814 31 A HN 0.549 nan 8.150 nan 0.000 0.444 32 E N -0.405 119.796 120.200 0.001 0.000 2.006 32 E HA -0.117 4.233 4.350 0.000 0.000 0.192 32 E C 1.980 178.551 176.600 -0.048 0.000 0.993 32 E CA 1.291 57.675 56.400 -0.028 0.000 0.808 32 E CB -0.392 29.275 29.700 -0.056 0.000 0.764 32 E HN 0.324 nan 8.360 nan 0.000 0.449 33 V N 0.971 120.831 119.914 -0.091 0.000 2.380 33 V HA -0.212 3.908 4.120 0.000 0.000 0.251 33 V C 0.960 176.850 176.094 -0.340 0.000 1.063 33 V CA 1.422 63.583 62.300 -0.232 0.000 1.055 33 V CB -0.455 31.184 31.823 -0.306 0.000 0.657 33 V HN 0.044 nan 8.190 nan 0.000 0.455 55 P HA -0.055 nan 4.420 nan 0.000 0.217 55 P C 1.731 179.025 177.300 -0.010 0.000 1.150 55 P CA 0.966 63.991 63.100 -0.124 0.000 0.832 55 P CB 0.306 31.835 31.700 -0.286 0.000 0.787 56 V N 0.073 120.044 119.914 0.096 0.000 2.591 56 V HA -0.119 4.001 4.120 0.000 0.000 0.249 56 V C 2.237 178.285 176.094 -0.077 0.000 1.053 56 V CA 2.423 64.756 62.300 0.054 0.000 1.068 56 V CB -1.518 30.372 31.823 0.113 0.000 0.689 56 V HN 0.093 nan 8.190 nan 0.000 0.462 57 T N 0.142 114.674 114.554 -0.037 0.000 2.759 57 T HA -0.161 4.189 4.350 0.000 0.000 0.269 57 T C 1.844 176.511 174.700 -0.055 0.000 1.042 57 T CA 1.815 63.886 62.100 -0.048 0.000 1.140 57 T CB -0.195 68.656 68.868 -0.028 0.000 0.864 57 T HN 0.398 nan 8.240 nan 0.000 0.455 58 V N 1.051 120.935 119.914 -0.050 0.000 2.270 58 V HA -0.132 3.988 4.120 0.000 0.000 0.245 58 V C 2.648 178.723 176.094 -0.032 0.000 1.043 58 V CA 1.385 63.660 62.300 -0.042 0.000 1.014 58 V CB -0.706 31.085 31.823 -0.053 0.000 0.645 58 V HN 0.307 nan 8.190 nan 0.000 0.447 59 V N 0.396 120.278 119.914 -0.053 0.000 2.427 59 V HA -0.269 3.851 4.120 0.000 0.000 0.248 59 V C 2.269 178.329 176.094 -0.057 0.000 1.051 59 V CA 2.299 64.570 62.300 -0.047 0.000 1.048 59 V CB -0.711 31.067 31.823 -0.074 0.000 0.666 59 V HN 0.623 nan 8.190 nan 0.000 0.456 60 D N 0.118 120.436 120.400 -0.137 0.000 2.097 60 D HA -0.166 4.474 4.640 0.000 0.000 0.195 60 D C 2.204 178.465 176.300 -0.065 0.000 0.989 60 D CA 2.000 55.924 54.000 -0.127 0.000 0.827 60 D CB -0.090 40.621 40.800 -0.149 0.000 0.966 60 D HN 0.421 nan 8.370 nan 0.000 0.456 61 T N 0.082 114.606 114.554 -0.049 0.000 2.737 61 T HA -0.129 4.221 4.350 0.000 0.000 0.265 61 T C 1.312 176.010 174.700 -0.003 0.000 1.038 61 T CA 1.328 63.406 62.100 -0.037 0.000 1.144 61 T CB -0.401 68.448 68.868 -0.032 0.000 0.866 61 T HN 0.156 nan 8.240 nan 0.000 0.434 62 D N 1.173 121.608 120.400 0.058 0.000 2.104 62 D HA -0.081 4.559 4.640 0.000 0.000 0.194 62 D C 2.318 178.684 176.300 0.110 0.000 0.994 62 D CA 1.375 55.464 54.000 0.148 0.000 0.830 62 D CB -0.598 40.391 40.800 0.314 0.000 0.959 62 D HN 0.341 nan 8.370 nan 0.000 0.452 63 T N 0.424 115.083 114.554 0.174 0.000 2.904 63 T HA -0.132 4.218 4.350 0.000 0.000 0.267 63 T C 1.797 176.456 174.700 -0.069 0.000 1.059 63 T CA 1.224 63.364 62.100 0.067 0.000 1.137 63 T CB -0.047 68.924 68.868 0.171 0.000 0.879 63 T HN 0.135 nan 8.240 nan 0.000 0.467 64 E N 1.552 121.717 120.200 -0.057 0.000 2.085 64 E HA -0.125 4.226 4.350 0.000 0.000 0.194 64 E C 2.290 178.828 176.600 -0.103 0.000 0.994 64 E CA 1.202 57.550 56.400 -0.087 0.000 0.801 64 E CB -0.120 29.524 29.700 -0.094 0.000 0.743 64 E HN 0.334 nan 8.360 nan 0.000 0.453 65 R N -0.067 120.373 120.500 -0.101 0.000 2.073 65 R HA -0.119 4.222 4.340 0.000 0.000 0.234 65 R C 2.602 178.802 176.300 -0.166 0.000 1.134 65 R CA 1.452 57.485 56.100 -0.112 0.000 0.952 65 R CB -0.514 29.734 30.300 -0.087 0.000 0.850 65 R HN 0.376 nan 8.270 nan 0.000 0.433 66 L N 0.884 121.951 121.223 -0.259 0.000 2.013 66 L HA -0.232 4.108 4.340 0.000 0.000 0.212 66 L C 2.126 178.856 176.870 -0.233 0.000 1.073 66 L CA 1.540 56.177 54.840 -0.339 0.000 0.753 66 L CB -0.208 41.484 42.059 -0.611 0.000 0.890 66 L HN 0.296 nan 8.230 nan 0.000 0.432 67 L N -0.754 120.355 121.223 -0.191 0.000 2.093 67 L HA -0.184 4.156 4.340 0.000 0.000 0.208 67 L C 2.831 179.606 176.870 -0.158 0.000 1.085 67 L CA 1.159 55.903 54.840 -0.160 0.000 0.755 67 L CB -0.437 41.553 42.059 -0.116 0.000 0.904 67 L HN 0.228 nan 8.230 nan 0.000 0.435 68 R N -0.135 120.287 120.500 -0.131 0.000 2.081 68 R HA -0.148 4.192 4.340 0.000 0.000 0.235 68 R C 1.930 178.160 176.300 -0.117 0.000 1.131 68 R CA 1.530 57.564 56.100 -0.111 0.000 0.960 68 R CB -0.348 29.902 30.300 -0.084 0.000 0.856 68 R HN 0.360 nan 8.270 nan 0.000 0.436 69 D N 0.152 120.480 120.400 -0.121 0.000 2.097 69 D HA -0.129 4.511 4.640 0.000 0.000 0.195 69 D C 2.013 178.239 176.300 -0.124 0.000 0.989 69 D CA 1.027 54.960 54.000 -0.111 0.000 0.827 69 D CB -0.149 40.583 40.800 -0.113 0.000 0.966 69 D HN 0.047 nan 8.370 nan 0.000 0.456 70 R N 0.341 120.751 120.500 -0.150 0.000 2.120 70 R HA -0.015 4.325 4.340 0.000 0.000 0.234 70 R C 2.521 178.708 176.300 -0.189 0.000 1.123 70 R CA 0.280 56.285 56.100 -0.158 0.000 0.975 70 R CB -0.762 29.437 30.300 -0.169 0.000 0.866 70 R HN 0.312 nan 8.270 nan 0.000 0.446 71 L N 0.064 121.151 121.223 -0.227 0.000 2.156 71 L HA -0.045 4.296 4.340 0.000 0.000 0.208 71 L C 2.521 179.283 176.870 -0.180 0.000 1.095 71 L CA 0.888 55.552 54.840 -0.293 0.000 0.770 71 L CB -0.465 41.373 42.059 -0.367 0.000 0.914 71 L HN 0.119 nan 8.230 nan 0.000 0.439 72 A N 0.218 122.964 122.820 -0.124 0.000 1.933 72 A HA -0.245 4.075 4.320 0.000 0.000 0.218 72 A C 2.189 179.732 177.584 -0.068 0.000 1.175 72 A CA 1.761 53.752 52.037 -0.077 0.000 0.628 72 A CB -0.326 18.635 19.000 -0.064 0.000 0.814 72 A HN 0.615 nan 8.150 nan 0.000 0.444 73 Q N -0.795 118.955 119.800 -0.083 0.000 2.204 73 Q HA 0.206 4.546 4.340 0.000 0.000 0.198 73 Q C 1.874 177.833 176.000 -0.068 0.000 0.946 73 Q CA 0.847 56.611 55.803 -0.067 0.000 0.859 73 Q CB -0.221 28.477 28.738 -0.066 0.000 0.946 73 Q HN 0.579 nan 8.270 nan 0.000 0.474 74 L N -0.201 120.962 121.223 -0.099 0.000 2.202 74 L HA 0.116 4.456 4.340 0.000 0.000 0.205 74 L C 0.703 177.530 176.870 -0.072 0.000 1.083 74 L CA 0.290 55.074 54.840 -0.094 0.000 0.790 74 L CB 0.405 42.380 42.059 -0.140 0.000 0.942 74 L HN 0.020 nan 8.230 nan 0.000 0.452 75 R N -0.577 119.867 120.500 -0.093 0.000 2.681 75 R HA 0.259 4.599 4.340 0.000 0.000 0.277 75 R C -2.000 174.304 176.300 0.008 0.000 1.563 75 R CA -2.138 53.953 56.100 -0.014 0.000 1.673 75 R CB 0.156 30.456 30.300 0.001 0.000 1.258 75 R HN -0.081 nan 8.270 nan 0.000 0.650 76 P HA -0.197 nan 4.420 nan 0.000 0.216 76 P C 1.140 178.456 177.300 0.026 0.000 1.167 76 P CA 1.849 64.952 63.100 0.006 0.000 0.933 76 P CB 0.268 31.973 31.700 0.008 0.000 0.793 77 G N -2.048 106.779 108.800 0.045 0.000 3.233 77 G HA2 0.010 3.970 3.960 0.000 0.000 0.227 77 G HA3 0.010 3.970 3.960 0.000 0.000 0.227 77 G C -0.368 174.578 174.900 0.077 0.000 1.175 77 G CA -0.068 45.062 45.100 0.050 0.000 0.781 77 G HN 0.193 nan 8.290 nan 0.000 0.542 78 D N 1.416 121.888 120.400 0.120 0.000 2.308 78 D HA 0.372 5.012 4.640 0.000 0.000 0.251 78 D C -2.148 174.261 176.300 0.183 0.000 1.127 78 D CA -1.168 52.949 54.000 0.196 0.000 0.876 78 D CB 1.546 42.588 40.800 0.404 0.000 1.176 78 D HN 0.028 nan 8.370 nan 0.000 0.446 79 P HA 0.152 nan 4.420 nan 0.000 0.269 79 P C -0.608 176.800 177.300 0.180 0.000 1.209 79 P CA -0.176 62.996 63.100 0.121 0.000 0.776 79 P CB 0.613 32.358 31.700 0.075 0.000 0.876 80 I N 3.207 123.857 120.570 0.132 0.000 2.439 80 I HA 0.211 4.381 4.170 0.000 0.000 0.283 80 I C -0.451 175.721 176.117 0.091 0.000 1.023 80 I CA -0.906 60.479 61.300 0.141 0.000 1.100 80 I CB 1.073 39.124 38.000 0.084 0.000 1.238 80 I HN 0.222 nan 8.210 nan 0.000 0.445 81 L N 6.940 128.229 121.223 0.110 0.000 2.270 81 L HA 0.731 5.072 4.340 0.000 0.000 0.286 81 L C 0.457 177.362 176.870 0.059 0.000 1.059 81 L CA 0.284 55.182 54.840 0.097 0.000 0.839 81 L CB 0.683 42.831 42.059 0.147 0.000 1.221 81 L HN 0.654 nan 8.230 nan 0.000 0.431 82 G N 2.613 111.380 108.800 -0.056 0.000 2.535 82 G HA2 0.164 4.124 3.960 0.000 0.000 0.303 82 G HA3 0.164 4.124 3.960 0.000 0.000 0.303 82 G C 0.308 174.859 174.900 -0.580 0.000 1.237 82 G CA -0.360 44.612 45.100 -0.214 0.000 0.986 82 G HN 0.697 nan 8.290 nan 0.000 0.494 83 E N -0.533 119.130 120.200 -0.894 0.000 2.401 83 E HA -0.117 4.233 4.350 0.000 0.000 0.199 83 E C 0.499 176.624 176.600 -0.791 0.000 1.023 83 E CA 1.083 56.584 56.400 -1.498 0.000 0.859 83 E CB 0.080 29.181 29.700 -0.998 0.000 0.780 83 E HN 0.663 nan 8.360 nan 0.000 0.523 84 E N -1.056 118.881 120.200 -0.438 0.000 4.139 84 E HA 0.427 4.777 4.350 0.000 0.000 0.227 84 E C -0.057 176.463 176.600 -0.132 0.000 1.187 84 E CA -0.247 56.022 56.400 -0.218 0.000 1.324 84 E CB 0.888 30.490 29.700 -0.163 0.000 1.207 84 E HN 0.160 nan 8.360 nan 0.000 0.422 99 V N 2.815 122.698 119.914 -0.053 0.000 2.667 99 V HA 0.649 4.769 4.120 0.000 0.000 0.308 99 V C -0.448 175.534 176.094 -0.187 0.000 1.048 99 V CA -0.401 61.796 62.300 -0.171 0.000 0.928 99 V CB 2.352 34.010 31.823 -0.276 0.000 1.004 99 V HN 0.822 nan 8.190 nan 0.000 0.444 100 T N 3.674 118.066 114.554 -0.270 0.000 2.792 100 T HA 0.395 4.745 4.350 0.000 0.000 0.280 100 T C -1.033 173.495 174.700 -0.286 0.000 0.990 100 T CA -0.176 61.831 62.100 -0.156 0.000 0.960 100 T CB 0.647 69.483 68.868 -0.053 0.000 0.939 100 T HN 0.549 nan 8.240 nan 0.000 0.439 101 W N 3.056 124.371 121.300 0.025 0.000 2.332 101 W HA 0.522 5.182 4.660 0.000 0.000 0.306 101 W C -0.454 176.090 176.519 0.042 0.000 1.149 101 W CA -0.730 56.632 57.345 0.028 0.000 1.271 101 W CB 0.574 30.043 29.460 0.014 0.000 1.243 101 W HN 0.278 nan 8.180 nan 0.000 0.459 102 V N 6.580 126.621 119.914 0.211 0.000 2.370 102 V HA 0.523 4.643 4.120 0.000 0.000 0.279 102 V C 0.219 176.449 176.094 0.226 0.000 1.029 102 V CA -0.967 61.456 62.300 0.204 0.000 0.870 102 V CB 0.439 32.364 31.823 0.171 0.000 0.984 102 V HN 0.427 nan 8.190 nan 0.000 0.451 103 L N 1.378 122.713 121.223 0.188 0.000 2.424 103 L HA 0.868 5.208 4.340 0.000 0.000 0.258 103 L C -1.663 175.231 176.870 0.040 0.000 0.995 103 L CA -0.618 54.303 54.840 0.135 0.000 0.821 103 L CB 2.774 44.894 42.059 0.102 0.000 1.383 103 L HN 0.460 nan 8.230 nan 0.000 0.410 104 D N 1.788 122.230 120.400 0.069 0.000 2.575 104 D HA 0.451 5.091 4.640 0.000 0.000 0.250 104 D C -2.236 174.079 176.300 0.025 0.000 1.279 104 D CA -1.713 52.293 54.000 0.009 0.000 0.925 104 D CB 2.917 43.822 40.800 0.175 0.000 1.261 104 D HN 0.261 nan 8.370 nan 0.000 0.567 105 P HA 0.079 nan 4.420 nan 0.000 0.217 105 P C 0.018 177.327 177.300 0.015 0.000 1.150 105 P CA 0.951 64.050 63.100 -0.002 0.000 0.832 105 P CB 0.375 32.052 31.700 -0.038 0.000 0.787 106 I N -0.922 119.639 120.570 -0.016 0.000 2.560 106 I HA 0.219 4.389 4.170 0.000 0.000 0.278 106 I C -0.795 175.353 176.117 0.052 0.000 1.089 106 I CA -0.819 60.476 61.300 -0.009 0.000 1.086 106 I CB 1.633 39.496 38.000 -0.229 0.000 1.202 106 I HN -0.261 nan 8.210 nan 0.000 0.471 107 D N 5.413 125.887 120.400 0.124 0.000 2.313 107 D HA 0.533 5.173 4.640 0.000 0.000 0.239 107 D C 0.662 177.064 176.300 0.169 0.000 1.142 107 D CA 0.456 54.543 54.000 0.144 0.000 0.847 107 D CB 1.192 42.075 40.800 0.139 0.000 1.082 107 D HN 0.806 nan 8.370 nan 0.000 0.480 108 G N 2.992 111.886 108.800 0.156 0.000 2.842 108 G HA2 -0.213 3.747 3.960 0.000 0.000 0.242 108 G HA3 -0.213 3.747 3.960 0.000 0.000 0.242 108 G C 0.879 175.897 174.900 0.197 0.000 1.135 108 G CA 0.204 45.415 45.100 0.185 0.000 1.048 108 G HN 0.604 nan 8.290 nan 0.000 0.530 109 T N -3.042 111.597 114.554 0.141 0.000 2.904 109 T HA -0.004 4.346 4.350 0.000 0.000 0.267 109 T C 2.369 177.194 174.700 0.208 0.000 1.059 109 T CA 1.816 63.992 62.100 0.126 0.000 1.137 109 T CB 0.043 68.956 68.868 0.073 0.000 0.879 109 T HN 0.596 nan 8.240 nan 0.000 0.467 110 V N 2.720 122.752 119.914 0.197 0.000 2.343 110 V HA -0.179 3.941 4.120 0.000 0.000 0.247 110 V C 2.777 179.040 176.094 0.283 0.000 1.051 110 V CA 1.822 64.268 62.300 0.243 0.000 1.036 110 V CB -0.815 31.103 31.823 0.159 0.000 0.654 110 V HN 0.467 nan 8.190 nan 0.000 0.451 111 N N -0.182 118.653 118.700 0.226 0.000 2.084 111 N HA -0.180 4.560 4.740 0.000 0.000 0.190 111 N C 1.708 177.355 175.510 0.228 0.000 1.030 111 N CA 1.683 54.882 53.050 0.247 0.000 0.849 111 N CB -0.570 38.097 38.487 0.299 0.000 1.012 111 N HN 0.506 nan 8.380 nan 0.000 0.423 112 F N 1.732 121.635 119.950 -0.079 0.000 2.091 112 F HA -0.219 4.308 4.527 0.000 0.000 0.299 112 F C 2.189 177.839 175.800 -0.250 0.000 1.103 112 F CA 1.200 58.911 58.000 -0.481 0.000 1.228 112 F CB -0.319 38.392 39.000 -0.481 0.000 0.984 112 F HN -0.192 nan 8.300 nan 0.000 0.477 113 V N -1.114 118.865 119.914 0.109 0.000 2.427 113 V HA -0.304 3.816 4.120 0.000 0.000 0.248 113 V C 1.764 177.702 176.094 -0.260 0.000 1.051 113 V CA 1.866 64.157 62.300 -0.014 0.000 1.048 113 V CB -0.890 31.025 31.823 0.154 0.000 0.666 113 V HN 0.404 nan 8.190 nan 0.000 0.456 114 Y N 0.138 120.353 120.300 -0.142 0.000 2.523 114 Y HA 0.370 4.920 4.550 0.000 0.000 0.279 114 Y C 1.930 177.728 175.900 -0.170 0.000 1.139 114 Y CA 0.612 58.637 58.100 -0.126 0.000 1.296 114 Y CB 0.161 38.599 38.460 -0.036 0.000 1.045 114 Y HN 0.332 nan 8.280 nan 0.000 0.538 115 G N 0.956 109.702 108.800 -0.090 0.000 2.137 115 G HA2 -0.283 3.677 3.960 0.000 0.000 0.237 115 G HA3 -0.283 3.677 3.960 0.000 0.000 0.237 115 G C -0.033 174.905 174.900 0.063 0.000 1.002 115 G CA -0.059 44.988 45.100 -0.088 0.000 0.702 115 G HN 0.282 nan 8.290 nan 0.000 0.515 116 I N 2.131 122.785 120.570 0.140 0.000 2.337 116 I HA 0.221 4.391 4.170 0.000 0.000 0.291 116 I C -1.460 174.761 176.117 0.174 0.000 1.046 116 I CA -2.133 59.242 61.300 0.125 0.000 1.324 116 I CB 1.193 39.251 38.000 0.097 0.000 1.409 116 I HN -0.088 nan 8.210 nan 0.000 0.494 117 P HA 0.114 nan 4.420 nan 0.000 0.241 117 P C -0.383 176.823 177.300 -0.157 0.000 1.760 117 P CA 0.099 63.139 63.100 -0.101 0.000 1.081 117 P CB 0.143 31.795 31.700 -0.079 0.000 1.975 118 A N 2.774 125.515 122.820 -0.133 0.000 3.464 118 A HA 0.478 4.798 4.320 0.000 0.000 0.243 118 A C -0.942 176.691 177.584 0.082 0.000 1.100 118 A CA -0.596 51.404 52.037 -0.062 0.000 0.957 118 A CB -0.165 18.841 19.000 0.010 0.000 1.340 118 A HN 0.360 nan 8.150 nan 0.000 0.645 119 Y N -2.165 118.194 120.300 0.098 0.000 2.576 119 Y HA 0.926 5.476 4.550 0.000 0.000 0.346 119 Y C -0.042 175.924 175.900 0.110 0.000 1.018 119 Y CA -1.164 57.009 58.100 0.121 0.000 1.050 119 Y CB 1.458 40.041 38.460 0.205 0.000 1.280 119 Y HN 0.672 nan 8.280 nan 0.000 0.474 120 A N 0.847 123.815 122.820 0.247 0.000 2.539 120 A HA 0.749 5.069 4.320 0.000 0.000 0.296 120 A C -1.841 175.840 177.584 0.161 0.000 1.073 120 A CA -0.924 51.208 52.037 0.157 0.000 0.700 120 A CB 1.489 20.544 19.000 0.092 0.000 1.296 120 A HN 0.658 nan 8.150 nan 0.000 0.405 121 V N 1.291 121.290 119.914 0.142 0.000 2.407 121 V HA 0.618 4.738 4.120 0.000 0.000 0.278 121 V C 0.486 176.649 176.094 0.115 0.000 1.037 121 V CA -0.224 62.148 62.300 0.121 0.000 0.900 121 V CB 1.332 33.224 31.823 0.115 0.000 0.983 121 V HN 0.861 nan 8.190 nan 0.000 0.459 122 S N 5.890 121.660 115.700 0.116 0.000 2.478 122 S HA 0.718 5.188 4.470 0.000 0.000 0.312 122 S C -0.862 173.822 174.600 0.141 0.000 1.094 122 S CA -0.635 57.640 58.200 0.124 0.000 1.081 122 S CB 0.511 63.790 63.200 0.131 0.000 1.007 122 S HN 0.506 nan 8.310 nan 0.000 0.475 123 I N 4.504 125.167 120.570 0.154 0.000 2.439 123 I HA 0.422 4.592 4.170 0.000 0.000 0.283 123 I C 0.575 176.824 176.117 0.219 0.000 1.023 123 I CA -0.451 60.975 61.300 0.209 0.000 1.100 123 I CB 0.934 39.065 38.000 0.218 0.000 1.238 123 I HN 0.738 nan 8.210 nan 0.000 0.445 124 G N 4.285 113.206 108.800 0.201 0.000 2.416 124 G HA2 0.700 4.660 3.960 0.000 0.000 0.329 124 G HA3 0.700 4.660 3.960 0.000 0.000 0.329 124 G C -0.850 174.026 174.900 -0.039 0.000 1.173 124 G CA -0.545 44.611 45.100 0.093 0.000 0.929 124 G HN 0.700 nan 8.290 nan 0.000 0.475 125 A N 2.203 124.883 122.820 -0.234 0.000 2.256 125 A HA 0.678 4.998 4.320 0.000 0.000 0.317 125 A C 0.050 177.410 177.584 -0.373 0.000 1.318 125 A CA -0.494 51.160 52.037 -0.637 0.000 0.894 125 A CB 0.710 19.229 19.000 -0.803 0.000 1.165 125 A HN 0.612 nan 8.150 nan 0.000 0.525 126 Q N 0.871 120.467 119.800 -0.340 0.000 2.306 126 Q HA 0.653 4.993 4.340 0.000 0.000 0.265 126 Q C -1.259 174.630 176.000 -0.185 0.000 1.022 126 Q CA -0.780 54.908 55.803 -0.192 0.000 0.853 126 Q CB 2.731 31.401 28.738 -0.114 0.000 1.327 126 Q HN 0.488 nan 8.270 nan 0.000 0.449 127 V N 0.941 120.782 119.914 -0.122 0.000 2.488 127 V HA 0.412 4.532 4.120 0.000 0.000 0.293 127 V C 0.513 176.571 176.094 -0.059 0.000 1.027 127 V CA -0.130 62.115 62.300 -0.091 0.000 0.862 127 V CB 1.296 33.069 31.823 -0.084 0.000 1.008 127 V HN 1.064 nan 8.190 nan 0.000 0.428 128 G N 3.395 112.167 108.800 -0.046 0.000 2.249 128 G HA2 0.067 4.027 3.960 0.000 0.000 0.273 128 G HA3 0.067 4.027 3.960 0.000 0.000 0.273 128 G C 1.194 176.076 174.900 -0.030 0.000 1.036 128 G CA 0.828 45.910 45.100 -0.031 0.000 0.824 128 G HN 2.371 nan 8.290 nan 0.000 0.504 129 G N -1.939 106.840 108.800 -0.035 0.000 2.176 129 G HA2 -0.199 3.762 3.960 0.000 0.000 0.253 129 G HA3 -0.199 3.762 3.960 0.000 0.000 0.253 129 G C 0.255 175.135 174.900 -0.034 0.000 0.979 129 G CA 0.492 45.574 45.100 -0.030 0.000 0.641 129 G HN 1.218 nan 8.290 nan 0.000 0.530 130 I N 1.983 122.529 120.570 -0.041 0.000 2.359 130 I HA 0.360 4.530 4.170 0.000 0.000 0.294 130 I C 0.634 176.718 176.117 -0.055 0.000 0.987 130 I CA -0.540 60.736 61.300 -0.040 0.000 1.225 130 I CB 1.031 39.010 38.000 -0.035 0.000 1.366 130 I HN -0.026 nan 8.210 nan 0.000 0.466 131 T N 6.064 120.590 114.554 -0.047 0.000 2.752 131 T HA 0.247 4.598 4.350 0.000 0.000 0.295 131 T C 1.441 176.108 174.700 -0.054 0.000 0.923 131 T CA -0.277 61.789 62.100 -0.056 0.000 1.112 131 T CB 1.249 70.097 68.868 -0.034 0.000 0.884 131 T HN 0.390 nan 8.240 nan 0.000 0.525 132 V N 1.769 121.636 119.914 -0.078 0.000 3.125 132 V HA 0.455 4.576 4.120 0.000 0.000 0.249 132 V C 0.963 177.028 176.094 -0.049 0.000 1.113 132 V CA 0.684 62.945 62.300 -0.065 0.000 1.106 132 V CB -0.275 31.496 31.823 -0.086 0.000 0.768 132 V HN 1.012 nan 8.190 nan 0.000 0.468 133 A N -1.094 121.690 122.820 -0.061 0.000 2.604 133 A HA 0.834 5.154 4.320 0.000 0.000 0.295 133 A C -0.447 177.142 177.584 0.008 0.000 1.067 133 A CA 0.124 52.152 52.037 -0.015 0.000 0.683 133 A CB 1.550 20.550 19.000 0.000 0.000 1.281 133 A HN 0.529 nan 8.150 nan 0.000 0.407 134 G N -1.091 107.745 108.800 0.060 0.000 2.646 134 G HA2 0.887 4.848 3.960 0.000 0.000 0.291 134 G HA3 0.887 4.848 3.960 0.000 0.000 0.291 134 G C -1.069 173.900 174.900 0.115 0.000 1.445 134 G CA 0.326 45.480 45.100 0.090 0.000 0.814 134 G HN 2.186 nan 8.290 nan 0.000 0.495 135 A N -0.182 122.717 122.820 0.132 0.000 2.488 135 A HA 0.745 5.065 4.320 0.000 0.000 0.295 135 A C -1.353 176.312 177.584 0.135 0.000 1.045 135 A CA -0.499 51.619 52.037 0.135 0.000 0.703 135 A CB 1.890 20.969 19.000 0.131 0.000 1.271 135 A HN 1.521 nan 8.150 nan 0.000 0.400 136 V N 1.659 121.667 119.914 0.156 0.000 2.444 136 V HA 0.712 4.832 4.120 0.000 0.000 0.294 136 V C 0.424 176.641 176.094 0.205 0.000 1.022 136 V CA -0.236 62.154 62.300 0.149 0.000 0.850 136 V CB 1.551 33.427 31.823 0.088 0.000 0.992 136 V HN 1.375 nan 8.190 nan 0.000 0.426 137 A N 2.939 125.852 122.820 0.155 0.000 2.260 137 A HA 0.541 4.861 4.320 0.000 0.000 0.314 137 A C -0.169 177.497 177.584 0.136 0.000 1.257 137 A CA -0.398 51.723 52.037 0.140 0.000 0.871 137 A CB 0.475 19.538 19.000 0.105 0.000 1.166 137 A HN 0.782 nan 8.150 nan 0.000 0.522 138 D N 3.607 124.098 120.400 0.150 0.000 2.402 138 D HA 0.189 4.829 4.640 0.000 0.000 0.235 138 D C 1.213 177.519 176.300 0.009 0.000 1.226 138 D CA -0.078 53.974 54.000 0.085 0.000 0.918 138 D CB 0.709 41.605 40.800 0.159 0.000 1.043 138 D HN 0.158 nan 8.370 nan 0.000 0.506 139 V N 4.340 124.238 119.914 -0.026 0.000 2.252 139 V HA -0.286 3.835 4.120 0.000 0.000 0.249 139 V C 2.454 178.509 176.094 -0.066 0.000 1.056 139 V CA 2.349 64.649 62.300 -0.000 0.000 1.022 139 V CB -0.789 31.113 31.823 0.132 0.000 0.641 139 V HN 0.674 nan 8.190 nan 0.000 0.445 140 A N -0.489 122.193 122.820 -0.230 0.000 2.014 140 A HA 0.104 4.424 4.320 0.000 0.000 0.218 140 A C 2.278 179.817 177.584 -0.075 0.000 1.163 140 A CA 1.594 53.537 52.037 -0.156 0.000 0.652 140 A CB -0.540 18.311 19.000 -0.247 0.000 0.808 140 A HN 0.584 nan 8.150 nan 0.000 0.449 141 A N -1.138 121.643 122.820 -0.065 0.000 2.067 141 A HA 0.179 4.499 4.320 0.000 0.000 0.217 141 A C 1.235 178.810 177.584 -0.015 0.000 1.156 141 A CA 0.702 52.723 52.037 -0.026 0.000 0.683 141 A CB -0.267 18.732 19.000 -0.001 0.000 0.808 141 A HN 0.498 nan 8.150 nan 0.000 0.455 142 R N -0.298 120.196 120.500 -0.010 0.000 3.423 142 R HA -0.131 4.210 4.340 0.000 0.000 0.271 142 R C -0.298 175.990 176.300 -0.020 0.000 1.093 142 R CA 0.821 56.919 56.100 -0.003 0.000 0.730 142 R CB -2.768 27.532 30.300 0.000 0.000 1.190 142 R HN 0.742 nan 8.270 nan 0.000 0.437 143 T N -3.823 110.713 114.554 -0.030 0.000 2.916 143 T HA 0.766 5.116 4.350 0.000 0.000 0.292 143 T C -0.131 174.515 174.700 -0.089 0.000 1.064 143 T CA -0.869 61.173 62.100 -0.097 0.000 1.011 143 T CB 2.897 71.667 68.868 -0.163 0.000 1.152 143 T HN -0.039 nan 8.240 nan 0.000 0.510 144 V N 1.754 121.568 119.914 -0.167 0.000 2.623 144 V HA 0.427 4.547 4.120 0.000 0.000 0.304 144 V C -1.514 174.488 176.094 -0.154 0.000 1.054 144 V CA -1.031 61.228 62.300 -0.068 0.000 0.882 144 V CB 1.261 33.081 31.823 -0.007 0.000 1.002 144 V HN 0.923 nan 8.190 nan 0.000 0.424 145 Y N 2.542 122.860 120.300 0.030 0.000 2.334 145 Y HA 0.725 5.275 4.550 0.000 0.000 0.328 145 Y C 0.790 176.713 175.900 0.040 0.000 1.130 145 Y CA -0.221 57.898 58.100 0.033 0.000 1.163 145 Y CB 2.035 40.506 38.460 0.019 0.000 1.207 145 Y HN 0.775 nan 8.280 nan 0.000 0.471 146 S N 0.805 116.613 115.700 0.180 0.000 2.596 146 S HA 0.982 5.452 4.470 0.000 0.000 0.270 146 S C -1.182 173.467 174.600 0.082 0.000 1.155 146 S CA -0.635 57.643 58.200 0.130 0.000 0.827 146 S CB 1.968 65.240 63.200 0.121 0.000 1.130 146 S HN 1.122 nan 8.310 nan 0.000 0.467 147 A N 0.065 122.922 122.820 0.062 0.000 2.601 147 A HA 1.011 5.331 4.320 0.000 0.000 0.291 147 A C -1.037 176.565 177.584 0.031 0.000 1.075 147 A CA -0.475 51.570 52.037 0.013 0.000 0.671 147 A CB 0.808 19.800 19.000 -0.012 0.000 1.277 147 A HN 2.332 nan 8.150 nan 0.000 0.417 148 A N 0.037 122.867 122.820 0.016 0.000 2.574 148 A HA 0.784 5.104 4.320 0.000 0.000 0.297 148 A C -0.100 177.486 177.584 0.004 0.000 1.062 148 A CA 0.096 52.143 52.037 0.017 0.000 0.686 148 A CB 0.592 19.614 19.000 0.036 0.000 1.285 148 A HN 2.083 nan 8.150 nan 0.000 0.403 149 T N 0.264 114.817 114.554 -0.003 0.000 2.822 149 T HA 0.417 4.767 4.350 0.000 0.000 0.288 149 T C 1.395 176.096 174.700 0.001 0.000 0.991 149 T CA 0.837 62.933 62.100 -0.005 0.000 1.176 149 T CB 0.365 69.226 68.868 -0.010 0.000 0.951 149 T HN 2.545 nan 8.240 nan 0.000 0.526 150 G N 2.563 111.363 108.800 0.000 0.000 2.199 150 G HA2 -0.248 3.712 3.960 0.000 0.000 0.254 150 G HA3 -0.248 3.712 3.960 0.000 0.000 0.254 150 G C 0.527 175.436 174.900 0.014 0.000 0.982 150 G CA 0.243 45.346 45.100 0.006 0.000 0.632 150 G HN 0.711 nan 8.290 nan 0.000 0.529 151 L N 0.536 121.768 121.223 0.015 0.000 2.693 151 L HA 0.515 4.855 4.340 0.000 0.000 0.235 151 L C 1.557 178.439 176.870 0.019 0.000 1.127 151 L CA 0.416 55.280 54.840 0.040 0.000 0.914 151 L CB 0.125 42.221 42.059 0.062 0.000 1.193 151 L HN 1.113 nan 8.230 nan 0.000 0.502 152 G N 0.827 109.598 108.800 -0.048 0.000 2.795 152 G HA2 0.001 3.961 3.960 0.000 0.000 0.664 152 G HA3 0.001 3.961 3.960 0.000 0.000 0.664 152 G C -0.614 174.091 174.900 -0.324 0.000 1.381 152 G CA -0.415 44.592 45.100 -0.155 0.000 0.853 152 G HN 0.371 nan 8.290 nan 0.000 0.545 153 A N 1.005 123.580 122.820 -0.409 0.000 2.331 153 A HA 0.875 5.195 4.320 0.000 0.000 0.320 153 A C -0.235 177.041 177.584 -0.513 0.000 1.138 153 A CA -0.459 51.372 52.037 -0.344 0.000 0.790 153 A CB 1.043 19.979 19.000 -0.107 0.000 1.206 153 A HN 1.074 nan 8.150 nan 0.000 0.470 154 H N 1.293 120.399 119.070 0.060 0.000 2.797 154 H HA 0.528 5.084 4.556 0.000 0.000 0.372 154 H C -1.270 174.060 175.328 0.003 0.000 1.168 154 H CA -0.688 55.378 56.048 0.030 0.000 1.163 154 H CB 1.957 31.713 29.762 -0.010 0.000 1.778 154 H HN 0.616 nan 8.280 nan 0.000 0.551 155 L N 1.423 122.685 121.223 0.065 0.000 2.322 155 L HA 0.399 4.739 4.340 0.000 0.000 0.281 155 L C -0.711 176.012 176.870 -0.245 0.000 1.014 155 L CA -0.425 54.312 54.840 -0.172 0.000 0.815 155 L CB 1.475 43.442 42.059 -0.154 0.000 1.247 155 L HN 0.570 nan 8.230 nan 0.000 0.421 156 T N 2.976 117.368 114.554 -0.269 0.000 2.786 156 T HA 0.513 4.863 4.350 0.000 0.000 0.283 156 T C -0.957 173.617 174.700 -0.210 0.000 0.992 156 T CA -0.616 61.328 62.100 -0.260 0.000 0.954 156 T CB 1.494 70.265 68.868 -0.161 0.000 0.934 156 T HN 0.760 nan 8.240 nan 0.000 0.440 157 D N 0.656 120.945 120.400 -0.185 0.000 2.904 157 D HA 0.244 4.884 4.640 0.000 0.000 0.290 157 D C 1.312 177.587 176.300 -0.043 0.000 1.180 157 D CA -0.778 53.178 54.000 -0.075 0.000 1.065 157 D CB 0.256 41.054 40.800 -0.003 0.000 1.386 157 D HN 0.362 nan 8.370 nan 0.000 0.599 158 E N 0.512 120.710 120.200 -0.004 0.000 2.118 158 E HA -0.255 4.096 4.350 0.000 0.000 0.195 158 E C 1.075 177.685 176.600 0.018 0.000 0.992 158 E CA 0.991 57.392 56.400 0.003 0.000 0.804 158 E CB -0.333 29.372 29.700 0.009 0.000 0.741 158 E HN 0.451 nan 8.360 nan 0.000 0.458 159 R N 1.362 121.901 120.500 0.064 0.000 2.346 159 R HA 0.182 4.522 4.340 0.000 0.000 0.225 159 R C 0.839 177.209 176.300 0.117 0.000 0.987 159 R CA 0.372 56.538 56.100 0.110 0.000 1.106 159 R CB -0.077 30.321 30.300 0.163 0.000 1.090 159 R HN 0.398 nan 8.270 nan 0.000 0.502 160 G N 1.436 110.221 108.800 -0.025 0.000 2.615 160 G HA2 -0.309 3.651 3.960 0.000 0.000 0.218 160 G HA3 -0.309 3.651 3.960 0.000 0.000 0.218 160 G C -0.936 173.705 174.900 -0.432 0.000 1.339 160 G CA -0.663 44.358 45.100 -0.132 0.000 0.884 160 G HN 0.359 nan 8.290 nan 0.000 0.559 161 R N 0.599 120.875 120.500 -0.374 0.000 2.297 161 R HA 0.563 4.903 4.340 0.000 0.000 0.308 161 R C -0.398 175.660 176.300 -0.403 0.000 1.029 161 R CA -0.617 55.209 56.100 -0.456 0.000 0.929 161 R CB 0.332 30.471 30.300 -0.269 0.000 1.046 161 R HN 0.690 nan 8.270 nan 0.000 0.461 162 H N 2.169 121.242 119.070 0.006 0.000 2.690 162 H HA 0.255 4.811 4.556 0.000 0.000 0.368 162 H C -0.466 174.952 175.328 0.150 0.000 1.150 162 H CA -0.834 55.241 56.048 0.046 0.000 1.174 162 H CB 1.554 31.330 29.762 0.023 0.000 1.684 162 H HN 0.223 nan 8.280 nan 0.000 0.538 163 V N 3.155 123.239 119.914 0.284 0.000 2.686 163 V HA 0.107 4.227 4.120 0.000 0.000 0.295 163 V C 0.679 176.869 176.094 0.160 0.000 1.055 163 V CA -0.418 62.044 62.300 0.270 0.000 1.050 163 V CB 0.730 32.668 31.823 0.192 0.000 0.984 163 V HN 0.427 nan 8.190 nan 0.000 0.482 164 L N 5.878 127.156 121.223 0.091 0.000 2.322 164 L HA 0.709 5.049 4.340 0.000 0.000 0.279 164 L C -0.052 176.842 176.870 0.040 0.000 1.036 164 L CA -0.660 54.226 54.840 0.076 0.000 0.807 164 L CB 1.384 43.495 42.059 0.088 0.000 1.226 164 L HN 0.510 nan 8.230 nan 0.000 0.433 165 R N 1.275 121.802 120.500 0.045 0.000 2.548 165 R HA 0.337 4.677 4.340 0.000 0.000 0.280 165 R C -0.819 175.499 176.300 0.030 0.000 1.061 165 R CA -0.693 55.425 56.100 0.030 0.000 0.915 165 R CB 1.638 31.956 30.300 0.029 0.000 1.210 165 R HN 0.876 nan 8.270 nan 0.000 0.442 166 C N -0.026 119.287 119.300 0.022 0.000 2.553 166 C HA 0.636 5.096 4.460 0.000 0.000 0.345 166 C C 1.577 176.579 174.990 0.020 0.000 1.369 166 C CA -0.596 58.435 59.018 0.022 0.000 2.447 166 C CB 0.010 27.761 27.740 0.019 0.000 2.358 166 C HN 0.851 nan 8.230 nan 0.000 0.676 167 T N -1.540 113.025 114.554 0.019 0.000 2.754 167 T HA 0.489 4.839 4.350 0.000 0.000 0.286 167 T C 0.781 175.490 174.700 0.015 0.000 0.997 167 T CA 0.231 62.342 62.100 0.017 0.000 0.982 167 T CB 0.628 69.506 68.868 0.017 0.000 1.027 167 T HN 1.381 nan 8.240 nan 0.000 0.529 168 G N 0.428 109.236 108.800 0.013 0.000 3.936 168 G HA2 0.456 4.417 3.960 0.000 0.000 0.296 168 G HA3 0.456 4.417 3.960 0.000 0.000 0.296 168 G C 0.201 175.106 174.900 0.009 0.000 1.121 168 G CA -0.554 44.552 45.100 0.011 0.000 0.899 168 G HN 0.925 nan 8.290 nan 0.000 0.542 169 V N -1.083 118.837 119.914 0.011 0.000 2.788 169 V HA 0.162 4.282 4.120 0.000 0.000 0.307 169 V C 0.439 176.538 176.094 0.008 0.000 1.069 169 V CA 0.038 62.344 62.300 0.010 0.000 1.173 169 V CB 1.004 32.834 31.823 0.012 0.000 0.925 169 V HN 0.139 nan 8.190 nan 0.000 0.492 170 D N 1.423 121.827 120.400 0.006 0.000 2.525 170 D HA 0.119 4.759 4.640 0.000 0.000 0.248 170 D C 0.436 176.738 176.300 0.003 0.000 1.000 170 D CA 0.455 54.457 54.000 0.003 0.000 0.923 170 D CB 0.326 41.127 40.800 0.002 0.000 1.101 170 D HN 0.791 nan 8.370 nan 0.000 0.493 171 E N 1.043 121.245 120.200 0.004 0.000 2.167 171 E HA 0.147 4.497 4.350 0.000 0.000 0.284 171 E C 0.648 177.251 176.600 0.006 0.000 1.016 171 E CA -0.275 56.127 56.400 0.003 0.000 0.817 171 E CB 1.964 31.667 29.700 0.004 0.000 1.080 171 E HN -0.116 nan 8.360 nan 0.000 0.397 172 L N 3.408 124.634 121.223 0.004 0.000 2.263 172 L HA -0.207 4.133 4.340 0.000 0.000 0.216 172 L C 1.778 178.656 176.870 0.012 0.000 1.111 172 L CA 2.009 56.853 54.840 0.007 0.000 0.773 172 L CB -0.416 41.645 42.059 0.003 0.000 0.906 172 L HN 0.617 nan 8.230 nan 0.000 0.439 173 S N -2.354 113.352 115.700 0.011 0.000 2.555 173 S HA -0.048 4.422 4.470 0.000 0.000 0.230 173 S C 1.532 176.139 174.600 0.012 0.000 0.978 173 S CA 0.581 58.789 58.200 0.013 0.000 0.934 173 S CB -0.296 62.911 63.200 0.011 0.000 0.766 173 S HN 0.406 nan 8.310 nan 0.000 0.533 174 M N 1.119 120.726 119.600 0.011 0.000 2.333 174 M HA 0.439 4.919 4.480 0.000 0.000 0.257 174 M C 0.598 176.906 176.300 0.014 0.000 1.078 174 M CA -0.086 55.221 55.300 0.011 0.000 1.005 174 M CB -0.075 32.531 32.600 0.009 0.000 1.444 174 M HN 0.414 nan 8.290 nan 0.000 0.496 175 A N 1.636 124.465 122.820 0.016 0.000 2.309 175 A HA 0.564 4.884 4.320 0.000 0.000 0.298 175 A C -0.565 177.034 177.584 0.024 0.000 1.165 175 A CA -0.513 51.536 52.037 0.020 0.000 0.821 175 A CB 0.595 19.608 19.000 0.022 0.000 1.102 175 A HN 0.318 nan 8.150 nan 0.000 0.500 176 L N 3.072 124.311 121.223 0.026 0.000 2.257 176 L HA 0.579 4.919 4.340 0.000 0.000 0.290 176 L C -0.756 176.139 176.870 0.042 0.000 1.044 176 L CA -0.351 54.506 54.840 0.028 0.000 0.810 176 L CB 0.924 42.997 42.059 0.023 0.000 1.193 176 L HN 0.638 nan 8.230 nan 0.000 0.425 177 L N 5.176 126.428 121.223 0.048 0.000 2.307 177 L HA 0.838 5.178 4.340 0.000 0.000 0.284 177 L C 0.209 177.129 176.870 0.083 0.000 1.023 177 L CA 0.057 54.940 54.840 0.072 0.000 0.810 177 L CB 1.521 43.618 42.059 0.064 0.000 1.231 177 L HN 0.662 nan 8.230 nan 0.000 0.423 178 G N 2.375 111.259 108.800 0.140 0.000 2.367 178 G HA2 0.634 4.594 3.960 0.000 0.000 0.314 178 G HA3 0.634 4.594 3.960 0.000 0.000 0.314 178 G C -0.768 174.271 174.900 0.232 0.000 1.130 178 G CA 0.117 45.321 45.100 0.172 0.000 0.864 178 G HN 0.782 nan 8.290 nan 0.000 0.486 179 T N -1.493 113.132 114.554 0.118 0.000 2.841 179 T HA 0.858 5.208 4.350 0.000 0.000 0.296 179 T C -0.060 174.610 174.700 -0.051 0.000 1.166 179 T CA -0.362 61.740 62.100 0.003 0.000 1.007 179 T CB 2.066 70.884 68.868 -0.084 0.000 1.253 179 T HN 1.280 nan 8.240 nan 0.000 0.511 180 G N -0.431 108.276 108.800 -0.156 0.000 2.708 180 G HA2 0.652 4.612 3.960 0.000 0.000 0.289 180 G HA3 0.652 4.612 3.960 0.000 0.000 0.289 180 G C -1.797 172.938 174.900 -0.276 0.000 1.416 180 G CA -1.056 43.923 45.100 -0.202 0.000 0.829 180 G HN 0.675 nan 8.290 nan 0.000 0.480 181 F N 0.767 120.714 119.950 -0.005 0.000 2.404 181 F HA 0.532 5.059 4.527 0.000 0.000 0.354 181 F C 1.077 176.870 175.800 -0.011 0.000 1.122 181 F CA -0.595 57.397 58.000 -0.013 0.000 1.080 181 F CB 2.070 41.071 39.000 0.001 0.000 1.131 181 F HN 0.558 nan 8.300 nan 0.000 0.471 182 G N 1.394 110.291 108.800 0.162 0.000 2.389 182 G HA2 0.478 4.438 3.960 0.000 0.000 0.317 182 G HA3 0.478 4.438 3.960 0.000 0.000 0.317 182 G C -0.462 174.471 174.900 0.054 0.000 1.137 182 G CA 0.539 45.674 45.100 0.058 0.000 0.870 182 G HN 1.161 nan 8.290 nan 0.000 0.496 183 Y N -1.157 119.157 120.300 0.024 0.000 2.925 183 Y HA 0.053 4.603 4.550 0.000 0.000 0.464 183 Y C 1.400 177.328 175.900 0.048 0.000 1.216 183 Y CA 0.103 58.217 58.100 0.022 0.000 2.433 183 Y CB -1.741 36.724 38.460 0.007 0.000 1.252 183 Y HN 2.266 nan 8.280 nan 0.000 0.636 184 S N -0.546 115.176 115.700 0.036 0.000 2.768 184 S HA 0.826 5.296 4.470 0.000 0.000 0.300 184 S C 1.695 176.300 174.600 0.008 0.000 1.122 184 S CA 0.616 58.836 58.200 0.034 0.000 0.995 184 S CB 0.891 64.111 63.200 0.034 0.000 1.195 184 S HN 2.623 nan 8.310 nan 0.000 0.547 185 V N -0.616 119.296 119.914 -0.003 0.000 2.592 185 V HA -0.041 4.079 4.120 0.000 0.000 0.262 185 V C 1.782 177.845 176.094 -0.052 0.000 1.108 185 V CA 2.635 64.912 62.300 -0.038 0.000 1.121 185 V CB -2.432 29.377 31.823 -0.023 0.000 0.689 185 V HN 1.145 nan 8.190 nan 0.000 0.479 186 R N -1.677 118.807 120.500 -0.027 0.000 2.442 186 R HA 0.540 4.880 4.340 0.000 0.000 0.291 186 R C 1.301 177.584 176.300 -0.027 0.000 1.069 186 R CA 0.405 56.491 56.100 -0.023 0.000 1.022 186 R CB -1.351 28.947 30.300 -0.004 0.000 0.976 186 R HN 2.344 nan 8.270 nan 0.000 0.443 187 C N 1.750 121.027 119.300 -0.038 0.000 4.475 187 C HA -0.167 4.293 4.460 0.000 0.000 0.280 187 C C 1.874 176.821 174.990 -0.072 0.000 1.338 187 C CA 1.109 60.107 59.018 -0.034 0.000 1.893 187 C CB -2.514 25.232 27.740 0.011 0.000 1.299 187 C HN 1.049 nan 8.230 nan 0.000 0.767 188 R N 0.187 120.595 120.500 -0.155 0.000 2.073 188 R HA -0.073 4.268 4.340 0.000 0.000 0.229 188 R C 2.120 178.243 176.300 -0.295 0.000 1.120 188 R CA 1.556 57.458 56.100 -0.330 0.000 0.967 188 R CB -0.114 29.853 30.300 -0.555 0.000 0.862 188 R HN 0.880 nan 8.270 nan 0.000 0.436 189 E N 1.197 121.277 120.200 -0.199 0.000 2.160 189 E HA -0.213 4.138 4.350 0.000 0.000 0.195 189 E C 1.598 178.147 176.600 -0.085 0.000 0.991 189 E CA 1.322 57.642 56.400 -0.133 0.000 0.810 189 E CB 0.194 29.837 29.700 -0.096 0.000 0.742 189 E HN 0.242 nan 8.360 nan 0.000 0.466 190 K N 0.072 120.428 120.400 -0.074 0.000 2.057 190 K HA -0.176 4.144 4.320 0.000 0.000 0.207 190 K C 2.318 178.892 176.600 -0.044 0.000 1.049 190 K CA 1.477 57.726 56.287 -0.063 0.000 0.931 190 K CB -0.087 32.379 32.500 -0.055 0.000 0.714 190 K HN 0.176 nan 8.250 nan 0.000 0.440 191 Q N 0.236 120.040 119.800 0.006 0.000 2.084 191 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 191 Q C 2.204 178.307 176.000 0.171 0.000 0.978 191 Q CA 1.499 57.371 55.803 0.115 0.000 0.844 191 Q CB -0.202 28.686 28.738 0.249 0.000 0.898 191 Q HN 0.347 nan 8.270 nan 0.000 0.426 192 A N 0.862 123.791 122.820 0.181 0.000 1.930 192 A HA -0.224 4.096 4.320 0.000 0.000 0.217 192 A C 1.907 179.491 177.584 0.000 0.000 1.175 192 A CA 1.557 53.702 52.037 0.179 0.000 0.627 192 A CB -0.369 18.722 19.000 0.153 0.000 0.815 192 A HN 0.268 nan 8.150 nan 0.000 0.443 193 E N -0.406 119.744 120.200 -0.083 0.000 2.051 193 E HA -0.175 4.176 4.350 0.000 0.000 0.192 193 E C 1.851 178.181 176.600 -0.451 0.000 0.991 193 E CA 1.271 57.534 56.400 -0.228 0.000 0.799 193 E CB -0.321 29.260 29.700 -0.199 0.000 0.748 193 E HN 0.476 nan 8.360 nan 0.000 0.449 194 L N 0.186 121.226 121.223 -0.305 0.000 2.042 194 L HA -0.166 4.174 4.340 0.000 0.000 0.210 194 L C 2.016 178.755 176.870 -0.218 0.000 1.076 194 L CA 1.665 56.329 54.840 -0.294 0.000 0.749 194 L CB -0.347 41.676 42.059 -0.060 0.000 0.893 194 L HN 0.231 nan 8.230 nan 0.000 0.432 195 L N -0.713 120.463 121.223 -0.078 0.000 2.056 195 L HA -0.172 4.168 4.340 0.000 0.000 0.207 195 L C 2.727 179.565 176.870 -0.054 0.000 1.078 195 L CA 1.089 55.920 54.840 -0.016 0.000 0.749 195 L CB -0.977 41.106 42.059 0.039 0.000 0.901 195 L HN 0.410 nan 8.230 nan 0.000 0.433 196 A N -0.472 122.289 122.820 -0.099 0.000 1.948 196 A HA -0.272 4.048 4.320 0.000 0.000 0.220 196 A C 1.981 179.549 177.584 -0.027 0.000 1.177 196 A CA 1.821 53.822 52.037 -0.061 0.000 0.636 196 A CB -1.002 17.958 19.000 -0.066 0.000 0.815 196 A HN 0.537 nan 8.150 nan 0.000 0.449 197 H N -1.778 117.124 119.070 -0.280 0.000 2.389 197 H HA -0.053 4.503 4.556 0.000 0.000 0.299 197 H C 2.152 177.344 175.328 -0.226 0.000 1.081 197 H CA 1.144 56.891 56.048 -0.501 0.000 1.345 197 H CB 0.065 28.999 29.762 -1.379 0.000 1.393 197 H HN 0.424 nan 8.280 nan 0.000 0.520 198 V N 0.473 120.410 119.914 0.039 0.000 2.951 198 V HA -0.095 4.025 4.120 0.000 0.000 0.255 198 V C 2.030 178.162 176.094 0.064 0.000 1.088 198 V CA 0.640 63.010 62.300 0.116 0.000 1.109 198 V CB -0.382 31.500 31.823 0.098 0.000 0.724 198 V HN 0.186 nan 8.190 nan 0.000 0.471 199 V N 2.160 122.094 119.914 0.034 0.000 2.278 199 V HA -0.151 3.969 4.120 0.000 0.000 0.251 199 V C 0.508 176.619 176.094 0.028 0.000 1.062 199 V CA 2.966 65.282 62.300 0.026 0.000 1.038 199 V CB -1.855 29.977 31.823 0.015 0.000 0.646 199 V HN 0.641 nan 8.190 nan 0.000 0.447 200 P HA -0.045 nan 4.420 nan 0.000 0.233 200 P C 1.491 178.812 177.300 0.035 0.000 1.167 200 P CA 1.076 64.193 63.100 0.028 0.000 0.770 200 P CB 0.001 31.715 31.700 0.023 0.000 0.837 201 L N -0.461 120.792 121.223 0.050 0.000 2.591 201 L HA 0.088 4.428 4.340 0.000 0.000 0.228 201 L C 1.141 178.031 176.870 0.033 0.000 1.133 201 L CA 0.037 54.905 54.840 0.048 0.000 0.880 201 L CB -0.077 42.024 42.059 0.071 0.000 1.033 201 L HN -0.120 nan 8.230 nan 0.000 0.450 202 V N -5.058 114.875 119.914 0.031 0.000 3.001 202 V HA 0.397 4.517 4.120 0.000 0.000 0.314 202 V C 1.050 177.157 176.094 0.021 0.000 1.099 202 V CA -1.029 61.286 62.300 0.025 0.000 0.989 202 V CB 2.161 34.001 31.823 0.028 0.000 1.040 202 V HN 0.044 nan 8.190 nan 0.000 0.434 203 R N 0.449 120.961 120.500 0.019 0.000 2.097 203 R HA -0.091 4.249 4.340 0.000 0.000 0.236 203 R C 0.432 176.741 176.300 0.015 0.000 1.135 203 R CA 2.539 58.648 56.100 0.016 0.000 0.934 203 R CB 0.034 30.343 30.300 0.015 0.000 0.846 203 R HN 1.000 nan 8.270 nan 0.000 0.431 204 D N -2.641 117.770 120.400 0.017 0.000 2.692 204 D HA 0.286 4.926 4.640 0.000 0.000 0.290 204 D C -1.794 174.517 176.300 0.018 0.000 1.281 204 D CA -0.480 53.529 54.000 0.015 0.000 0.804 204 D CB 2.029 42.837 40.800 0.012 0.000 1.331 204 D HN -0.092 nan 8.370 nan 0.000 0.432 205 V N 1.396 121.319 119.914 0.014 0.000 2.823 205 V HA 0.706 4.827 4.120 0.000 0.000 0.312 205 V C -0.304 175.794 176.094 0.007 0.000 1.072 205 V CA -0.771 61.538 62.300 0.014 0.000 0.937 205 V CB 2.032 33.860 31.823 0.009 0.000 1.013 205 V HN 0.393 nan 8.190 nan 0.000 0.430 206 R N 2.433 122.939 120.500 0.009 0.000 2.621 206 R HA 0.654 4.994 4.340 0.000 0.000 0.292 206 R C -0.865 175.426 176.300 -0.014 0.000 0.969 206 R CA -1.002 55.098 56.100 -0.001 0.000 0.887 206 R CB 2.077 32.379 30.300 0.005 0.000 1.180 206 R HN 0.706 nan 8.270 nan 0.000 0.450 207 R N 3.266 123.746 120.500 -0.034 0.000 2.467 207 R HA 0.395 4.735 4.340 0.000 0.000 0.299 207 R C -0.118 176.155 176.300 -0.045 0.000 1.120 207 R CA -0.049 56.014 56.100 -0.061 0.000 0.940 207 R CB 0.067 30.299 30.300 -0.114 0.000 1.161 207 R HN 0.760 nan 8.270 nan 0.000 0.506 208 I N 1.732 122.281 120.570 -0.034 0.000 3.708 208 I HA 0.274 4.444 4.170 0.000 0.000 0.302 208 I C 0.990 177.102 176.117 -0.009 0.000 1.255 208 I CA 0.590 61.875 61.300 -0.025 0.000 1.362 208 I CB 0.658 38.637 38.000 -0.035 0.000 1.100 208 I HN 0.938 nan 8.210 nan 0.000 0.434 209 G N 1.283 110.080 108.800 -0.005 0.000 2.134 209 G HA2 -0.222 3.738 3.960 0.000 0.000 0.209 209 G HA3 -0.222 3.738 3.960 0.000 0.000 0.209 209 G C 0.277 175.205 174.900 0.046 0.000 0.993 209 G CA 0.179 45.295 45.100 0.027 0.000 0.669 209 G HN 0.337 nan 8.290 nan 0.000 0.519 210 S N -0.850 114.854 115.700 0.008 0.000 2.706 210 S HA 0.730 5.200 4.470 0.000 0.000 0.270 210 S C 1.096 175.643 174.600 -0.088 0.000 1.163 210 S CA 0.669 58.869 58.200 0.001 0.000 1.042 210 S CB 0.942 64.153 63.200 0.019 0.000 1.079 210 S HN 1.668 nan 8.310 nan 0.000 0.474 211 A N 4.584 127.371 122.820 -0.055 0.000 1.902 211 A HA 0.211 4.531 4.320 0.000 0.000 0.217 211 A C 2.306 179.748 177.584 -0.236 0.000 1.181 211 A CA 1.864 53.821 52.037 -0.134 0.000 0.623 211 A CB -1.156 17.872 19.000 0.047 0.000 0.818 211 A HN 1.338 nan 8.150 nan 0.000 0.443 212 A N -0.200 122.555 122.820 -0.109 0.000 1.883 212 A HA -0.085 4.235 4.320 0.000 0.000 0.217 212 A C 2.160 179.626 177.584 -0.197 0.000 1.186 212 A CA 1.606 53.581 52.037 -0.104 0.000 0.624 212 A CB -0.605 18.387 19.000 -0.012 0.000 0.822 212 A HN 0.476 nan 8.150 nan 0.000 0.444 213 L N -0.744 120.365 121.223 -0.191 0.000 2.156 213 L HA -0.129 4.211 4.340 0.000 0.000 0.208 213 L C 1.981 178.659 176.870 -0.320 0.000 1.095 213 L CA 1.022 55.719 54.840 -0.238 0.000 0.770 213 L CB -0.546 41.430 42.059 -0.138 0.000 0.914 213 L HN 0.328 nan 8.230 nan 0.000 0.439 214 D N 0.354 120.509 120.400 -0.408 0.000 2.097 214 D HA -0.150 4.490 4.640 0.000 0.000 0.197 214 D C 2.387 178.373 176.300 -0.524 0.000 0.984 214 D CA 1.190 54.860 54.000 -0.550 0.000 0.826 214 D CB -0.114 40.034 40.800 -1.086 0.000 0.973 214 D HN 0.253 nan 8.370 nan 0.000 0.460 215 L N 0.414 121.313 121.223 -0.540 0.000 2.079 215 L HA -0.203 4.137 4.340 0.000 0.000 0.210 215 L C 2.685 179.405 176.870 -0.250 0.000 1.081 215 L CA 0.850 55.514 54.840 -0.294 0.000 0.752 215 L CB -0.306 41.640 42.059 -0.189 0.000 0.896 215 L HN 0.131 nan 8.230 nan 0.000 0.433 216 C N -0.862 118.220 119.300 -0.364 0.000 2.457 216 C HA -0.113 4.348 4.460 0.000 0.000 0.278 216 C C 2.856 177.613 174.990 -0.388 0.000 1.309 216 C CA 0.428 59.126 59.018 -0.534 0.000 1.735 216 C CB -0.553 26.495 27.740 -1.152 0.000 1.992 216 C HN 0.486 nan 8.230 nan 0.000 0.493 217 M N 0.342 119.762 119.600 -0.300 0.000 2.108 217 M HA -0.159 4.321 4.480 0.000 0.000 0.261 217 M C 2.198 178.452 176.300 -0.076 0.000 1.066 217 M CA 1.630 56.842 55.300 -0.146 0.000 1.107 217 M CB -0.546 31.981 32.600 -0.122 0.000 1.356 217 M HN 0.253 nan 8.290 nan 0.000 0.406 218 V N 0.429 120.293 119.914 -0.083 0.000 2.287 218 V HA -0.290 3.830 4.120 0.000 0.000 0.248 218 V C 2.640 178.727 176.094 -0.012 0.000 1.053 218 V CA 2.076 64.362 62.300 -0.023 0.000 1.027 218 V CB -1.294 30.532 31.823 0.005 0.000 0.646 218 V HN 0.543 nan 8.190 nan 0.000 0.447 219 A N -0.004 122.796 122.820 -0.033 0.000 1.908 219 A HA -0.152 4.169 4.320 0.000 0.000 0.218 219 A C 2.332 179.940 177.584 0.040 0.000 1.181 219 A CA 2.263 54.299 52.037 -0.000 0.000 0.627 219 A CB -0.754 18.240 19.000 -0.010 0.000 0.818 219 A HN 0.616 nan 8.150 nan 0.000 0.445 220 A N -2.321 120.534 122.820 0.058 0.000 2.119 220 A HA 0.388 4.708 4.320 0.000 0.000 0.216 220 A C 1.891 179.514 177.584 0.065 0.000 1.152 220 A CA 1.387 53.490 52.037 0.110 0.000 0.708 220 A CB -0.771 18.343 19.000 0.189 0.000 0.805 220 A HN 1.982 nan 8.150 nan 0.000 0.460 221 G N -1.053 107.770 108.800 0.037 0.000 2.141 221 G HA2 -0.240 3.720 3.960 0.000 0.000 0.231 221 G HA3 -0.240 3.720 3.960 0.000 0.000 0.231 221 G C 0.860 175.774 174.900 0.023 0.000 0.984 221 G CA 0.415 45.532 45.100 0.028 0.000 0.660 221 G HN 0.519 nan 8.290 nan 0.000 0.525 222 R N -0.856 119.656 120.500 0.020 0.000 2.240 222 R HA 0.372 4.712 4.340 0.000 0.000 0.203 222 R C 0.889 177.193 176.300 0.006 0.000 1.011 222 R CA 0.586 56.694 56.100 0.013 0.000 1.007 222 R CB 0.239 30.547 30.300 0.014 0.000 0.911 222 R HN 0.431 nan 8.270 nan 0.000 0.468 223 L N -0.163 121.063 121.223 0.005 0.000 2.354 223 L HA 0.270 4.610 4.340 0.000 0.000 0.264 223 L C 0.181 177.067 176.870 0.027 0.000 1.008 223 L CA -0.740 54.111 54.840 0.017 0.000 0.819 223 L CB 2.279 44.351 42.059 0.021 0.000 1.339 223 L HN -0.157 nan 8.230 nan 0.000 0.420 224 D N 0.848 121.269 120.400 0.035 0.000 2.271 224 D HA 0.221 4.861 4.640 0.000 0.000 0.206 224 D C 0.274 176.604 176.300 0.050 0.000 0.967 224 D CA 0.705 54.726 54.000 0.035 0.000 0.867 224 D CB 0.983 41.801 40.800 0.030 0.000 0.960 224 D HN 0.543 nan 8.370 nan 0.000 0.509 225 A N -0.425 122.439 122.820 0.073 0.000 2.599 225 A HA 0.539 4.859 4.320 0.000 0.000 0.290 225 A C -2.083 175.613 177.584 0.188 0.000 1.101 225 A CA -0.678 51.423 52.037 0.107 0.000 0.674 225 A CB 1.577 20.624 19.000 0.078 0.000 1.277 225 A HN 0.026 nan 8.150 nan 0.000 0.419 226 Y N -0.057 120.269 120.300 0.043 0.000 2.479 226 Y HA 0.648 5.198 4.550 0.000 0.000 0.338 226 Y C -2.109 173.862 175.900 0.118 0.000 1.055 226 Y CA -1.274 56.855 58.100 0.049 0.000 1.023 226 Y CB 1.770 40.232 38.460 0.003 0.000 1.287 226 Y HN 1.087 nan 8.280 nan 0.000 0.447 227 Y N 5.185 125.086 120.300 -0.664 0.000 2.361 227 Y HA 0.643 5.193 4.550 0.000 0.000 0.328 227 Y C -1.648 173.835 175.900 -0.695 0.000 1.044 227 Y CA -0.743 56.994 58.100 -0.604 0.000 1.085 227 Y CB 1.618 39.937 38.460 -0.235 0.000 1.194 227 Y HN 0.788 nan 8.280 nan 0.000 0.438 228 E N 4.041 123.462 120.200 -1.297 0.000 2.308 228 E HA 0.225 4.575 4.350 0.000 0.000 0.275 228 E C -2.061 174.128 176.600 -0.684 0.000 0.890 228 E CA -0.970 54.847 56.400 -0.971 0.000 0.754 228 E CB 1.268 30.671 29.700 -0.496 0.000 1.207 228 E HN 0.808 nan 8.360 nan 0.000 0.426 229 H N 2.290 121.004 119.070 -0.594 0.000 2.641 229 H HA 0.477 5.033 4.556 0.000 0.000 0.295 229 H C -0.019 175.228 175.328 -0.134 0.000 1.070 229 H CA 1.000 56.889 56.048 -0.265 0.000 1.257 229 H CB 1.023 30.708 29.762 -0.128 0.000 1.393 229 H HN 0.700 nan 8.280 nan 0.000 0.464 230 G N 3.883 112.467 108.800 -0.360 0.000 2.797 230 G HA2 -0.129 3.831 3.960 0.000 0.000 0.192 230 G HA3 -0.129 3.831 3.960 0.000 0.000 0.192 230 G C -1.178 173.625 174.900 -0.161 0.000 1.101 230 G CA -0.149 44.799 45.100 -0.253 0.000 0.930 230 G HN 0.603 nan 8.290 nan 0.000 0.512 231 V N 1.941 121.748 119.914 -0.178 0.000 2.417 231 V HA 0.481 4.601 4.120 0.000 0.000 0.291 231 V C 0.593 176.540 176.094 -0.245 0.000 1.024 231 V CA -1.156 61.054 62.300 -0.150 0.000 0.861 231 V CB 1.736 33.507 31.823 -0.087 0.000 0.985 231 V HN 0.531 nan 8.190 nan 0.000 0.436 232 Q N 2.220 121.809 119.800 -0.351 0.000 2.428 232 Q HA 0.104 4.444 4.340 0.000 0.000 0.276 232 Q C 1.398 177.004 176.000 -0.658 0.000 1.059 232 Q CA 0.068 55.447 55.803 -0.707 0.000 0.923 232 Q CB 1.030 29.035 28.738 -1.221 0.000 1.283 232 Q HN 0.569 nan 8.270 nan 0.000 0.447 233 V N 1.081 120.588 119.914 -0.679 0.000 2.407 233 V HA -0.247 3.873 4.120 0.000 0.000 0.248 233 V C 1.706 177.695 176.094 -0.173 0.000 1.055 233 V CA 2.206 64.308 62.300 -0.330 0.000 1.049 233 V CB -0.759 30.947 31.823 -0.196 0.000 0.662 233 V HN 0.925 nan 8.190 nan 0.000 0.455 234 W N 0.320 121.630 121.300 0.017 0.000 2.825 234 W HA 0.092 4.752 4.660 0.000 0.000 0.243 234 W C 1.248 177.784 176.519 0.027 0.000 1.293 234 W CA 0.492 57.852 57.345 0.026 0.000 1.403 234 W CB -0.754 28.724 29.460 0.030 0.000 1.134 234 W HN 0.182 nan 8.180 nan 0.000 0.666 235 D N -0.052 120.389 120.400 0.069 0.000 2.389 235 D HA 0.008 4.648 4.640 0.000 0.000 0.206 235 D C 1.757 178.076 176.300 0.032 0.000 1.055 235 D CA 1.090 55.150 54.000 0.099 0.000 0.856 235 D CB -0.089 40.754 40.800 0.071 0.000 0.957 235 D HN 0.423 nan 8.370 nan 0.000 0.509 236 C N -1.429 117.867 119.300 -0.006 0.000 3.545 236 C HA 0.685 5.145 4.460 0.000 0.000 0.368 236 C C 2.504 177.499 174.990 0.008 0.000 1.400 236 C CA 0.193 59.213 59.018 0.003 0.000 1.848 236 C CB 0.032 27.774 27.740 0.003 0.000 2.576 236 C HN 0.093 nan 8.230 nan 0.000 0.683 237 A N 2.328 125.156 122.820 0.014 0.000 1.865 237 A HA 0.140 4.460 4.320 0.000 0.000 0.217 237 A C 2.549 180.146 177.584 0.021 0.000 1.191 237 A CA 2.840 54.886 52.037 0.015 0.000 0.623 237 A CB -1.338 17.680 19.000 0.030 0.000 0.826 237 A HN 0.993 nan 8.150 nan 0.000 0.444 238 A N -0.708 122.138 122.820 0.043 0.000 1.845 238 A HA 0.128 4.448 4.320 0.000 0.000 0.215 238 A C 2.519 180.117 177.584 0.023 0.000 1.195 238 A CA 2.094 54.158 52.037 0.045 0.000 0.616 238 A CB -1.602 17.444 19.000 0.076 0.000 0.832 238 A HN 0.877 nan 8.150 nan 0.000 0.443 239 G N -0.507 108.296 108.800 0.006 0.000 2.469 239 G HA2 -0.059 3.901 3.960 0.000 0.000 0.220 239 G HA3 -0.059 3.901 3.960 0.000 0.000 0.220 239 G C 1.745 176.632 174.900 -0.022 0.000 1.136 239 G CA 1.735 46.815 45.100 -0.033 0.000 0.759 239 G HN 0.863 nan 8.290 nan 0.000 0.562 240 A N 0.506 123.325 122.820 -0.001 0.000 1.883 240 A HA 0.004 4.324 4.320 0.000 0.000 0.217 240 A C 2.386 179.972 177.584 0.004 0.000 1.186 240 A CA 1.514 53.558 52.037 0.011 0.000 0.624 240 A CB -0.521 18.487 19.000 0.014 0.000 0.822 240 A HN 0.378 nan 8.150 nan 0.000 0.444 241 L N -0.547 120.677 121.223 0.001 0.000 2.046 241 L HA -0.165 4.175 4.340 0.000 0.000 0.208 241 L C 2.451 179.319 176.870 -0.004 0.000 1.077 241 L CA 1.640 56.479 54.840 -0.002 0.000 0.747 241 L CB -0.344 41.714 42.059 -0.001 0.000 0.896 241 L HN 0.455 nan 8.230 nan 0.000 0.432 242 I N -0.091 120.479 120.570 -0.001 0.000 2.142 242 I HA -0.302 3.869 4.170 0.000 0.000 0.240 242 I C 2.820 178.931 176.117 -0.010 0.000 1.078 242 I CA 1.286 62.586 61.300 -0.001 0.000 1.343 242 I CB -0.558 37.449 38.000 0.011 0.000 1.046 242 I HN 0.271 nan 8.210 nan 0.000 0.405 243 A N 0.789 123.599 122.820 -0.016 0.000 1.917 243 A HA -0.254 4.067 4.320 0.000 0.000 0.219 243 A C 2.533 180.116 177.584 -0.001 0.000 1.182 243 A CA 2.240 54.272 52.037 -0.009 0.000 0.633 243 A CB -0.996 18.002 19.000 -0.003 0.000 0.819 243 A HN 0.474 nan 8.150 nan 0.000 0.448 244 A N -0.605 122.215 122.820 -0.000 0.000 1.877 244 A HA -0.152 4.168 4.320 0.000 0.000 0.216 244 A C 1.840 179.420 177.584 -0.007 0.000 1.186 244 A CA 1.667 53.704 52.037 -0.000 0.000 0.620 244 A CB -0.458 18.541 19.000 -0.001 0.000 0.822 244 A HN 0.440 nan 8.150 nan 0.000 0.443 245 E N -0.195 119.995 120.200 -0.016 0.000 2.472 245 E HA 0.007 4.357 4.350 0.000 0.000 0.200 245 E C 1.598 178.177 176.600 -0.035 0.000 1.046 245 E CA 0.825 57.208 56.400 -0.029 0.000 0.871 245 E CB -0.269 29.403 29.700 -0.046 0.000 0.806 245 E HN 0.583 nan 8.360 nan 0.000 0.533 246 A N -0.389 122.419 122.820 -0.021 0.000 2.345 246 A HA 0.405 4.726 4.320 0.000 0.000 0.225 246 A C 1.562 179.145 177.584 -0.000 0.000 1.243 246 A CA 0.732 52.763 52.037 -0.011 0.000 0.875 246 A CB 0.118 19.119 19.000 0.002 0.000 0.929 246 A HN 0.219 nan 8.150 nan 0.000 0.502 247 G N -1.763 107.036 108.800 -0.001 0.000 2.175 247 G HA2 0.092 4.052 3.960 0.000 0.000 0.244 247 G HA3 0.092 4.052 3.960 0.000 0.000 0.244 247 G C 0.492 175.396 174.900 0.008 0.000 0.982 247 G CA 0.185 45.287 45.100 0.004 0.000 0.641 247 G HN 1.556 nan 8.290 nan 0.000 0.527 248 A N -0.244 122.581 122.820 0.010 0.000 2.386 248 A HA 0.744 5.064 4.320 0.000 0.000 0.248 248 A C 0.661 178.255 177.584 0.016 0.000 1.082 248 A CA 0.370 52.417 52.037 0.016 0.000 0.789 248 A CB 0.359 19.372 19.000 0.022 0.000 1.025 248 A HN 0.756 nan 8.150 nan 0.000 0.490 249 R N 0.796 121.308 120.500 0.019 0.000 2.267 249 R HA 0.479 4.819 4.340 0.000 0.000 0.319 249 R C -1.283 175.032 176.300 0.026 0.000 1.067 249 R CA 0.325 56.435 56.100 0.017 0.000 0.936 249 R CB 0.293 30.602 30.300 0.014 0.000 1.006 249 R HN 0.428 nan 8.270 nan 0.000 0.452 250 V N 6.862 126.790 119.914 0.022 0.000 2.623 250 V HA 0.444 4.564 4.120 0.000 0.000 0.304 250 V C -1.205 174.902 176.094 0.021 0.000 1.054 250 V CA -0.933 61.385 62.300 0.030 0.000 0.882 250 V CB 1.463 33.304 31.823 0.029 0.000 1.002 250 V HN 0.659 nan 8.190 nan 0.000 0.424 251 L N 3.522 124.760 121.223 0.025 0.000 2.408 251 L HA 0.799 5.139 4.340 0.000 0.000 0.268 251 L C -0.980 175.899 176.870 0.015 0.000 0.986 251 L CA -0.593 54.257 54.840 0.016 0.000 0.820 251 L CB 1.951 44.018 42.059 0.014 0.000 1.303 251 L HN 0.438 nan 8.230 nan 0.000 0.411 252 L N 2.730 123.955 121.223 0.002 0.000 2.356 252 L HA 0.513 4.853 4.340 0.000 0.000 0.264 252 L C 0.438 177.298 176.870 -0.016 0.000 1.029 252 L CA -0.077 54.756 54.840 -0.011 0.000 0.897 252 L CB 1.270 43.317 42.059 -0.020 0.000 1.256 252 L HN 0.942 nan 8.230 nan 0.000 0.444 261 G N -0.128 108.582 108.800 -0.150 0.000 2.570 261 G HA2 0.522 4.482 3.960 0.000 0.000 0.276 261 G HA3 0.522 4.482 3.960 0.000 0.000 0.276 261 G C -0.005 174.776 174.900 -0.200 0.000 1.346 261 G CA -0.225 44.752 45.100 -0.204 0.000 1.034 261 G HN 0.439 nan 8.290 nan 0.000 0.512 262 L N -1.356 119.741 121.223 -0.211 0.000 2.301 262 L HA 0.501 4.841 4.340 0.000 0.000 0.264 262 L C -0.535 176.205 176.870 -0.215 0.000 1.016 262 L CA -1.143 53.587 54.840 -0.183 0.000 0.821 262 L CB 2.253 44.229 42.059 -0.138 0.000 1.346 262 L HN 0.141 nan 8.230 nan 0.000 0.429 263 V N 2.083 121.898 119.914 -0.164 0.000 2.370 263 V HA 0.358 4.478 4.120 0.000 0.000 0.279 263 V C -0.140 175.922 176.094 -0.054 0.000 1.029 263 V CA -0.513 61.720 62.300 -0.112 0.000 0.870 263 V CB 1.702 33.535 31.823 0.017 0.000 0.984 263 V HN 0.387 nan 8.190 nan 0.000 0.451 264 V N 5.843 125.705 119.914 -0.087 0.000 2.448 264 V HA 0.564 4.685 4.120 0.000 0.000 0.295 264 V C -0.321 175.744 176.094 -0.048 0.000 1.025 264 V CA -0.580 61.688 62.300 -0.054 0.000 0.859 264 V CB 1.950 33.754 31.823 -0.032 0.000 0.988 264 V HN 0.583 nan 8.190 nan 0.000 0.431 265 V N 3.506 123.439 119.914 0.031 0.000 2.531 265 V HA 0.894 5.014 4.120 0.000 0.000 0.301 265 V C 0.022 176.157 176.094 0.068 0.000 1.034 265 V CA -0.455 61.880 62.300 0.058 0.000 0.865 265 V CB 1.770 33.639 31.823 0.077 0.000 0.995 265 V HN 1.032 nan 8.190 nan 0.000 0.424 266 A N 3.779 126.661 122.820 0.102 0.000 2.381 266 A HA 1.010 5.330 4.320 0.000 0.000 0.299 266 A C -0.461 177.185 177.584 0.103 0.000 1.049 266 A CA -0.071 52.035 52.037 0.116 0.000 0.715 266 A CB 1.703 20.808 19.000 0.174 0.000 1.222 266 A HN 1.632 nan 8.150 nan 0.000 0.428 267 A N 1.226 124.085 122.820 0.065 0.000 2.594 267 A HA 0.871 5.191 4.320 0.000 0.000 0.295 267 A C 0.078 177.683 177.584 0.035 0.000 1.071 267 A CA -0.059 52.009 52.037 0.051 0.000 0.685 267 A CB 0.847 19.869 19.000 0.037 0.000 1.285 267 A HN 2.518 nan 8.150 nan 0.000 0.405 268 A N 2.580 125.418 122.820 0.031 0.000 2.531 268 A HA 0.493 4.813 4.320 0.000 0.000 0.236 268 A C -0.987 176.607 177.584 0.016 0.000 1.062 268 A CA -0.252 51.798 52.037 0.022 0.000 0.760 268 A CB -0.289 18.723 19.000 0.020 0.000 0.995 268 A HN 0.603 nan 8.150 nan 0.000 0.501 269 P HA -0.136 nan 4.420 nan 0.000 0.218 269 P C 1.443 178.747 177.300 0.005 0.000 1.149 269 P CA 1.845 64.951 63.100 0.008 0.000 0.817 269 P CB -0.109 31.595 31.700 0.007 0.000 0.785 270 G N -0.689 108.115 108.800 0.006 0.000 2.625 270 G HA2 -0.127 3.833 3.960 0.000 0.000 0.214 270 G HA3 -0.127 3.833 3.960 0.000 0.000 0.214 270 G C 1.356 176.257 174.900 0.002 0.000 1.132 270 G CA 0.218 45.321 45.100 0.004 0.000 0.782 270 G HN 0.331 nan 8.290 nan 0.000 0.538 271 I N -0.849 119.723 120.570 0.004 0.000 4.442 271 I HA 0.307 4.477 4.170 0.000 0.000 0.331 271 I C 2.359 178.475 176.117 -0.001 0.000 1.364 271 I CA 0.327 61.628 61.300 0.002 0.000 1.207 271 I CB 0.518 38.522 38.000 0.007 0.000 1.298 271 I HN 0.100 nan 8.210 nan 0.000 0.463 272 A N 0.665 123.485 122.820 0.000 0.000 1.858 272 A HA -0.197 4.123 4.320 0.000 0.000 0.216 272 A C 1.819 179.395 177.584 -0.014 0.000 1.190 272 A CA 2.130 54.166 52.037 -0.002 0.000 0.617 272 A CB -0.450 18.552 19.000 0.003 0.000 0.827 272 A HN 0.356 nan 8.150 nan 0.000 0.443 273 D N -0.608 119.783 120.400 -0.015 0.000 2.092 273 D HA -0.192 4.449 4.640 0.000 0.000 0.193 273 D C 1.867 178.148 176.300 -0.033 0.000 0.994 273 D CA 1.636 55.621 54.000 -0.024 0.000 0.828 273 D CB -0.567 40.220 40.800 -0.021 0.000 0.963 273 D HN 0.724 nan 8.370 nan 0.000 0.450 274 E N -0.044 120.139 120.200 -0.028 0.000 2.160 274 E HA -0.193 4.157 4.350 0.000 0.000 0.195 274 E C 2.100 178.675 176.600 -0.042 0.000 0.991 274 E CA 0.588 56.968 56.400 -0.033 0.000 0.810 274 E CB -0.050 29.637 29.700 -0.022 0.000 0.742 274 E HN 0.120 nan 8.360 nan 0.000 0.466 275 L N 0.379 121.579 121.223 -0.037 0.000 2.095 275 L HA -0.042 4.298 4.340 0.000 0.000 0.204 275 L C 2.070 178.892 176.870 -0.080 0.000 1.080 275 L CA 1.265 56.075 54.840 -0.049 0.000 0.759 275 L CB -0.267 41.773 42.059 -0.032 0.000 0.914 275 L HN 0.181 nan 8.230 nan 0.000 0.439 276 L N -0.285 120.897 121.223 -0.068 0.000 2.042 276 L HA -0.207 4.134 4.340 0.000 0.000 0.210 276 L C 2.708 179.520 176.870 -0.098 0.000 1.076 276 L CA 1.240 56.033 54.840 -0.077 0.000 0.749 276 L CB -0.930 41.100 42.059 -0.049 0.000 0.893 276 L HN 0.420 nan 8.230 nan 0.000 0.432 277 A N 0.069 122.833 122.820 -0.094 0.000 1.851 277 A HA -0.235 4.085 4.320 0.000 0.000 0.216 277 A C 2.539 180.013 177.584 -0.184 0.000 1.195 277 A CA 1.952 53.917 52.037 -0.120 0.000 0.622 277 A CB -0.951 17.990 19.000 -0.099 0.000 0.831 277 A HN 0.404 nan 8.150 nan 0.000 0.444 278 A N -0.550 122.166 122.820 -0.174 0.000 1.948 278 A HA -0.099 4.221 4.320 0.000 0.000 0.220 278 A C 2.218 179.647 177.584 -0.260 0.000 1.177 278 A CA 1.661 53.557 52.037 -0.234 0.000 0.636 278 A CB -0.606 18.348 19.000 -0.077 0.000 0.815 278 A HN 0.498 nan 8.150 nan 0.000 0.449 279 L N -1.157 119.960 121.223 -0.176 0.000 2.005 279 L HA -0.231 4.109 4.340 0.000 0.000 0.207 279 L C 2.978 179.762 176.870 -0.143 0.000 1.072 279 L CA 1.579 56.315 54.840 -0.173 0.000 0.744 279 L CB -0.677 41.208 42.059 -0.290 0.000 0.895 279 L HN 0.494 nan 8.230 nan 0.000 0.433 280 Q N -0.233 119.478 119.800 -0.148 0.000 2.061 280 Q HA -0.296 4.044 4.340 0.000 0.000 0.204 280 Q C 2.242 178.144 176.000 -0.162 0.000 0.984 280 Q CA 1.742 57.474 55.803 -0.117 0.000 0.846 280 Q CB -0.318 28.359 28.738 -0.102 0.000 0.902 280 Q HN 0.349 nan 8.270 nan 0.000 0.421 281 R N 0.002 120.320 120.500 -0.303 0.000 2.226 281 R HA -0.174 4.166 4.340 0.000 0.000 0.246 281 R C 0.849 176.856 176.300 -0.490 0.000 1.161 281 R CA 1.437 57.250 56.100 -0.477 0.000 0.997 281 R CB -0.029 29.819 30.300 -0.753 0.000 0.870 281 R HN 0.259 nan 8.270 nan 0.000 0.465 282 F N -0.851 119.095 119.950 -0.006 0.000 2.729 282 F HA 0.309 4.836 4.527 0.000 0.000 0.315 282 F C -0.230 175.569 175.800 -0.002 0.000 1.102 282 F CA -0.727 57.295 58.000 0.037 0.000 1.204 282 F CB 0.357 39.421 39.000 0.106 0.000 1.052 282 F HN -0.043 nan 8.300 nan 0.000 0.551 283 N N 1.287 120.040 118.700 0.089 0.000 2.531 283 N HA -0.139 4.601 4.740 0.000 0.000 0.279 283 N C 0.438 175.956 175.510 0.014 0.000 1.267 283 N CA 0.230 53.303 53.050 0.038 0.000 0.663 283 N CB -0.769 37.741 38.487 0.038 0.000 0.886 283 N HN 0.631 nan 8.380 nan 0.000 0.544 284 G N -0.636 108.162 108.800 -0.003 0.000 2.371 284 G HA2 0.339 4.300 3.960 0.000 0.000 0.177 284 G HA3 0.339 4.300 3.960 0.000 0.000 0.177 284 G C 1.076 176.068 174.900 0.153 0.000 1.427 284 G CA 0.482 45.596 45.100 0.025 0.000 0.739 284 G HN 0.478 nan 8.290 nan 0.000 1.033 285 L N 0.685 121.941 121.223 0.055 0.000 2.645 285 L HA 0.688 5.028 4.340 0.000 0.000 0.235 285 L C 0.739 177.676 176.870 0.113 0.000 1.150 285 L CA 0.917 55.816 54.840 0.098 0.000 0.911 285 L CB -1.139 40.923 42.059 0.004 0.000 1.077 285 L HN 0.264 nan 8.230 nan 0.000 0.438 286 E N 0.000 120.281 120.200 0.135 0.000 2.725 286 E HA 0.000 4.350 4.350 0.000 0.000 0.291 286 E CA 0.000 56.470 56.400 0.117 0.000 0.976 286 E CB 0.000 29.738 29.700 0.064 0.000 0.812 286 E HN 0.000 nan 8.360 nan 0.000 0.440