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 3eir_1_B DATA FIRST_RESID 79 DATA SEQUENCE KHRVTLRKAT LASLMQSLSG ESSNRVMWND RYDTLLIARD PREIKNAIEK DATA SEQUENCE SVTDFGGLEN YKELTGGADP FALMTPVXGL SANNIFKLMT EKDVPIDPTS DATA SEQUENCE IEYLEXTSFA EHVNTLDSHK NYVVIVNDGR LGHKFLIDLP ALTXXXRTAY DATA SEQUENCE IIQSDLGGGA LPAVRVEDWI SRRGSDPVSL DELNQLLSKD FSKMPDDVQT DATA SEQUENCE RLLASILQID KDPHKVDIKK LHLDGKLRFA SHEYDFRQFQ RNAQYVAGL 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 79 K HA 0.000 nan 4.320 nan 0.000 0.191 79 K C 0.000 176.624 176.600 0.041 0.000 0.988 79 K CA 0.000 56.309 56.287 0.036 0.000 0.838 79 K CB 0.000 32.524 32.500 0.039 0.000 1.064 80 H N 1.199 120.259 119.070 -0.016 0.000 2.431 80 H HA -0.178 4.377 4.556 -0.001 0.000 0.297 80 H C 2.231 177.538 175.328 -0.036 0.000 1.115 80 H CA 2.882 58.921 56.048 -0.016 0.000 1.277 80 H CB 0.158 29.915 29.762 -0.008 0.000 1.372 80 H HN 0.539 nan 8.280 nan 0.000 0.516 81 R N 0.145 120.656 120.500 0.019 0.000 2.112 81 R HA -0.158 4.182 4.340 -0.001 0.000 0.242 81 R C 2.155 178.341 176.300 -0.190 0.000 1.137 81 R CA 2.235 58.265 56.100 -0.117 0.000 0.944 81 R CB -0.909 29.306 30.300 -0.141 0.000 0.857 81 R HN 0.293 nan 8.270 nan 0.000 0.435 82 V N 0.190 120.030 119.914 -0.122 0.000 2.392 82 V HA -0.270 3.850 4.120 -0.001 0.000 0.249 82 V C 2.199 178.213 176.094 -0.134 0.000 1.059 82 V CA 2.403 64.639 62.300 -0.107 0.000 1.051 82 V CB -0.926 30.879 31.823 -0.030 0.000 0.658 82 V HN 0.510 nan 8.190 nan 0.000 0.455 83 T N 0.057 114.499 114.554 -0.186 0.000 2.777 83 T HA -0.110 4.239 4.350 -0.001 0.000 0.266 83 T C 1.914 176.499 174.700 -0.193 0.000 1.040 83 T CA 1.472 63.439 62.100 -0.220 0.000 1.141 83 T CB -0.256 68.414 68.868 -0.331 0.000 0.868 83 T HN 0.305 nan 8.240 nan 0.000 0.444 84 L N 0.755 121.843 121.223 -0.224 0.000 1.994 84 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 84 L C 2.888 179.850 176.870 0.152 0.000 1.071 84 L CA 1.593 56.430 54.840 -0.004 0.000 0.745 84 L CB -0.366 41.769 42.059 0.127 0.000 0.892 84 L HN 0.211 nan 8.230 nan 0.000 0.431 85 R N 0.318 120.909 120.500 0.152 0.000 2.133 85 R HA -0.310 4.029 4.340 -0.001 0.000 0.245 85 R C 2.402 178.782 176.300 0.133 0.000 1.137 85 R CA 2.524 58.785 56.100 0.268 0.000 0.947 85 R CB -0.305 30.039 30.300 0.074 0.000 0.865 85 R HN 0.269 nan 8.270 nan 0.000 0.437 86 K N -0.470 119.936 120.400 0.009 0.000 2.032 86 K HA -0.153 4.167 4.320 -0.001 0.000 0.209 86 K C 1.972 178.577 176.600 0.008 0.000 1.048 86 K CA 1.565 57.841 56.287 -0.017 0.000 0.927 86 K CB -0.209 32.257 32.500 -0.058 0.000 0.712 86 K HN 0.319 nan 8.250 nan 0.000 0.441 87 A N 0.480 123.304 122.820 0.006 0.000 1.877 87 A HA -0.143 4.177 4.320 -0.001 0.000 0.216 87 A C 2.213 179.802 177.584 0.009 0.000 1.186 87 A CA 2.203 54.242 52.037 0.004 0.000 0.620 87 A CB -1.082 17.918 19.000 -0.000 0.000 0.822 87 A HN 0.442 nan 8.150 nan 0.000 0.443 88 T N 0.481 115.049 114.554 0.024 0.000 2.684 88 T HA -0.120 4.230 4.350 -0.001 0.000 0.267 88 T C 1.825 176.510 174.700 -0.025 0.000 1.036 88 T CA 1.566 63.640 62.100 -0.043 0.000 1.148 88 T CB -0.411 68.398 68.868 -0.097 0.000 0.863 88 T HN 0.354 nan 8.240 nan 0.000 0.436 89 L N 0.524 121.784 121.223 0.063 0.000 2.083 89 L HA -0.101 4.238 4.340 -0.001 0.000 0.209 89 L C 2.972 179.880 176.870 0.063 0.000 1.083 89 L CA 1.184 56.087 54.840 0.104 0.000 0.752 89 L CB -0.582 41.560 42.059 0.139 0.000 0.899 89 L HN 0.259 nan 8.230 nan 0.000 0.433 90 A N -1.229 121.613 122.820 0.037 0.000 1.898 90 A HA -0.209 4.110 4.320 -0.001 0.000 0.216 90 A C 2.523 180.116 177.584 0.015 0.000 1.181 90 A CA 1.899 53.952 52.037 0.027 0.000 0.620 90 A CB -0.627 18.381 19.000 0.013 0.000 0.819 90 A HN 0.347 nan 8.150 nan 0.000 0.442 91 S N -0.680 115.018 115.700 -0.004 0.000 2.368 91 S HA -0.138 4.331 4.470 -0.001 0.000 0.225 91 S C 1.947 176.532 174.600 -0.026 0.000 1.030 91 S CA 1.497 59.684 58.200 -0.020 0.000 0.999 91 S CB -0.464 62.712 63.200 -0.039 0.000 0.844 91 S HN 0.532 nan 8.310 nan 0.000 0.459 92 L N 1.365 122.570 121.223 -0.029 0.000 2.046 92 L HA 0.024 4.364 4.340 -0.001 0.000 0.208 92 L C 2.229 179.099 176.870 -0.000 0.000 1.077 92 L CA 1.887 56.706 54.840 -0.035 0.000 0.747 92 L CB -0.641 41.399 42.059 -0.031 0.000 0.896 92 L HN 0.276 nan 8.230 nan 0.000 0.432 93 M N -0.799 118.828 119.600 0.045 0.000 2.117 93 M HA -0.204 4.275 4.480 -0.001 0.000 0.262 93 M C 2.314 178.653 176.300 0.064 0.000 1.065 93 M CA 1.653 57.004 55.300 0.086 0.000 1.114 93 M CB -1.189 31.477 32.600 0.111 0.000 1.361 93 M HN 0.441 nan 8.290 nan 0.000 0.408 94 Q N -0.122 119.700 119.800 0.037 0.000 2.135 94 Q HA -0.161 4.179 4.340 -0.001 0.000 0.204 94 Q C 2.063 178.072 176.000 0.016 0.000 0.981 94 Q CA 2.121 57.940 55.803 0.027 0.000 0.856 94 Q CB -0.302 28.444 28.738 0.012 0.000 0.902 94 Q HN 0.665 nan 8.270 nan 0.000 0.425 95 S N 0.278 115.975 115.700 -0.005 0.000 2.442 95 S HA -0.099 4.371 4.470 -0.001 0.000 0.236 95 S C 1.667 176.258 174.600 -0.015 0.000 1.007 95 S CA 0.578 58.763 58.200 -0.024 0.000 0.965 95 S CB -0.124 63.042 63.200 -0.055 0.000 0.773 95 S HN 0.186 nan 8.310 nan 0.000 0.504 96 L N 2.901 124.130 121.223 0.010 0.000 2.633 96 L HA 0.092 4.431 4.340 -0.001 0.000 0.235 96 L C 2.574 179.490 176.870 0.076 0.000 1.163 96 L CA 1.112 55.979 54.840 0.044 0.000 0.859 96 L CB -1.105 41.034 42.059 0.132 0.000 0.973 96 L HN 0.650 nan 8.230 nan 0.000 0.451 97 S N -2.097 113.634 115.700 0.052 0.000 2.489 97 S HA 0.096 4.566 4.470 -0.001 0.000 0.228 97 S C 1.211 175.831 174.600 0.033 0.000 0.995 97 S CA 0.147 58.376 58.200 0.049 0.000 0.934 97 S CB -0.482 62.740 63.200 0.036 0.000 0.771 97 S HN 0.316 nan 8.310 nan 0.000 0.522 98 G N 0.830 109.639 108.800 0.015 0.000 2.356 98 G HA2 0.374 4.334 3.960 -0.001 0.000 0.298 98 G HA3 0.374 4.334 3.960 -0.001 0.000 0.298 98 G C 0.284 175.187 174.900 0.005 0.000 1.145 98 G CA -0.524 44.576 45.100 0.000 0.000 0.850 98 G HN 0.324 nan 8.290 nan 0.000 0.487 99 E N 1.744 121.949 120.200 0.010 0.000 2.065 99 E HA -0.209 4.140 4.350 -0.001 0.000 0.201 99 E C 2.296 178.904 176.600 0.012 0.000 1.016 99 E CA 1.904 58.317 56.400 0.023 0.000 0.818 99 E CB 0.031 29.744 29.700 0.020 0.000 0.749 99 E HN 0.486 nan 8.360 nan 0.000 0.453 100 S N 0.059 115.750 115.700 -0.014 0.000 2.387 100 S HA -0.076 4.393 4.470 -0.001 0.000 0.226 100 S C 2.139 176.706 174.600 -0.056 0.000 1.026 100 S CA 0.957 59.139 58.200 -0.031 0.000 0.972 100 S CB -0.046 63.122 63.200 -0.052 0.000 0.814 100 S HN 0.183 nan 8.310 nan 0.000 0.477 101 S N 1.964 117.620 115.700 -0.072 0.000 2.368 101 S HA -0.102 4.367 4.470 -0.001 0.000 0.224 101 S C 1.778 176.302 174.600 -0.126 0.000 1.029 101 S CA 1.239 59.376 58.200 -0.105 0.000 0.988 101 S CB -0.493 62.648 63.200 -0.098 0.000 0.838 101 S HN 0.632 nan 8.310 nan 0.000 0.462 102 N N 0.844 119.505 118.700 -0.066 0.000 2.142 102 N HA -0.044 4.695 4.740 -0.001 0.000 0.186 102 N C 1.973 177.476 175.510 -0.011 0.000 1.023 102 N CA 0.851 53.880 53.050 -0.035 0.000 0.852 102 N CB 0.079 38.623 38.487 0.095 0.000 0.998 102 N HN 0.209 nan 8.380 nan 0.000 0.424 103 R N -0.143 120.367 120.500 0.017 0.000 2.075 103 R HA -0.023 4.316 4.340 -0.001 0.000 0.232 103 R C 2.008 178.320 176.300 0.020 0.000 1.126 103 R CA 1.011 57.137 56.100 0.043 0.000 0.963 103 R CB -0.468 29.857 30.300 0.042 0.000 0.858 103 R HN 0.183 nan 8.270 nan 0.000 0.435 104 V N 1.233 121.138 119.914 -0.014 0.000 2.427 104 V HA -0.228 3.892 4.120 -0.001 0.000 0.248 104 V C 2.266 178.328 176.094 -0.053 0.000 1.051 104 V CA 1.480 63.781 62.300 0.003 0.000 1.048 104 V CB -0.314 31.538 31.823 0.047 0.000 0.666 104 V HN 0.235 nan 8.190 nan 0.000 0.456 105 M N -0.640 118.834 119.600 -0.210 0.000 2.123 105 M HA -0.101 4.378 4.480 -0.001 0.000 0.263 105 M C 1.415 177.524 176.300 -0.317 0.000 1.069 105 M CA 1.869 56.886 55.300 -0.472 0.000 1.133 105 M CB -0.283 31.718 32.600 -0.998 0.000 1.356 105 M HN 0.437 nan 8.290 nan 0.000 0.415 106 W N 0.704 122.046 121.300 0.070 0.000 3.102 106 W HA 0.301 4.961 4.660 -0.001 0.000 0.401 106 W C 0.450 176.993 176.519 0.041 0.000 1.070 106 W CA -0.928 56.458 57.345 0.069 0.000 1.921 106 W CB -0.376 29.118 29.460 0.057 0.000 1.118 106 W HN 0.189 nan 8.180 nan 0.000 0.647 107 N N 2.465 121.275 118.700 0.184 0.000 2.415 107 N HA -0.081 4.659 4.740 -0.001 0.000 0.248 107 N C 0.573 176.084 175.510 0.001 0.000 1.271 107 N CA 0.910 54.003 53.050 0.072 0.000 0.913 107 N CB 0.898 39.399 38.487 0.024 0.000 1.129 107 N HN 0.089 nan 8.380 nan 0.000 0.444 108 D N 0.047 120.355 120.400 -0.154 0.000 2.440 108 D HA 0.038 4.678 4.640 -0.001 0.000 0.216 108 D C 0.334 176.101 176.300 -0.887 0.000 1.150 108 D CA -0.140 53.566 54.000 -0.491 0.000 0.832 108 D CB -0.333 40.315 40.800 -0.255 0.000 0.992 108 D HN 0.465 nan 8.370 nan 0.000 0.502 109 R N 0.816 121.021 120.500 -0.491 0.000 2.248 109 R HA 0.333 4.673 4.340 -0.001 0.000 0.328 109 R C -0.378 175.763 176.300 -0.264 0.000 1.067 109 R CA -0.248 55.647 56.100 -0.342 0.000 0.924 109 R CB -0.783 29.437 30.300 -0.134 0.000 1.013 109 R HN 0.203 nan 8.270 nan 0.000 0.454 110 Y N 0.499 120.821 120.300 0.038 0.000 2.444 110 Y HA 0.069 4.619 4.550 -0.001 0.000 0.249 110 Y C 1.452 177.376 175.900 0.039 0.000 1.134 110 Y CA -0.082 58.044 58.100 0.044 0.000 1.261 110 Y CB 0.889 39.376 38.460 0.045 0.000 1.143 110 Y HN 0.836 nan 8.280 nan 0.000 0.523 111 D N -1.243 119.243 120.400 0.145 0.000 2.339 111 D HA 0.053 4.693 4.640 -0.001 0.000 0.217 111 D C 0.161 176.501 176.300 0.066 0.000 1.050 111 D CA 0.351 54.411 54.000 0.100 0.000 0.856 111 D CB -0.056 40.788 40.800 0.074 0.000 0.922 111 D HN -0.013 nan 8.370 nan 0.000 0.518 112 T N 1.117 115.705 114.554 0.057 0.000 2.895 112 T HA 0.342 4.691 4.350 -0.001 0.000 0.283 112 T C -0.215 174.505 174.700 0.032 0.000 1.014 112 T CA -0.699 61.420 62.100 0.031 0.000 1.037 112 T CB 1.946 70.822 68.868 0.012 0.000 1.006 112 T HN -0.009 nan 8.240 nan 0.000 0.468 113 L N 3.710 124.936 121.223 0.006 0.000 2.540 113 L HA 0.150 4.490 4.340 -0.001 0.000 0.276 113 L C 1.405 178.254 176.870 -0.035 0.000 1.212 113 L CA 0.427 55.258 54.840 -0.016 0.000 0.893 113 L CB 0.065 42.098 42.059 -0.044 0.000 1.138 113 L HN 0.741 nan 8.230 nan 0.000 0.491 114 L N 5.211 126.416 121.223 -0.030 0.000 2.012 114 L HA -0.212 4.127 4.340 -0.001 0.000 0.210 114 L C 2.002 178.793 176.870 -0.133 0.000 1.073 114 L CA 2.067 56.886 54.840 -0.035 0.000 0.748 114 L CB -0.172 41.883 42.059 -0.007 0.000 0.891 114 L HN 0.876 nan 8.230 nan 0.000 0.431 115 I N -3.002 117.407 120.570 -0.269 0.000 3.176 115 I HA -0.025 4.144 4.170 -0.001 0.000 0.275 115 I C 2.013 177.794 176.117 -0.560 0.000 1.298 115 I CA 1.055 61.951 61.300 -0.673 0.000 1.445 115 I CB -0.576 36.975 38.000 -0.748 0.000 1.075 115 I HN 0.145 nan 8.210 nan 0.000 0.482 116 A N 1.101 123.780 122.820 -0.236 0.000 2.251 116 A HA 0.199 4.519 4.320 -0.001 0.000 0.209 116 A C 1.225 178.789 177.584 -0.034 0.000 1.187 116 A CA -0.218 51.750 52.037 -0.115 0.000 0.823 116 A CB -0.343 18.616 19.000 -0.068 0.000 0.846 116 A HN 0.403 nan 8.150 nan 0.000 0.486 117 R N 0.901 121.390 120.500 -0.017 0.000 2.537 117 R HA 0.193 4.533 4.340 -0.001 0.000 0.280 117 R C -0.972 175.390 176.300 0.104 0.000 1.058 117 R CA 0.042 56.168 56.100 0.043 0.000 1.057 117 R CB 0.346 30.676 30.300 0.050 0.000 0.973 117 R HN 0.204 nan 8.270 nan 0.000 0.438 118 D N 3.690 124.132 120.400 0.071 0.000 2.440 118 D HA 0.219 4.859 4.640 -0.001 0.000 0.239 118 D C -1.944 174.385 176.300 0.050 0.000 1.084 118 D CA -2.638 51.405 54.000 0.071 0.000 0.843 118 D CB 1.830 42.659 40.800 0.049 0.000 1.097 118 D HN 0.129 nan 8.370 nan 0.000 0.531 119 P HA -0.128 nan 4.420 nan 0.000 0.218 119 P C 1.241 178.558 177.300 0.027 0.000 1.149 119 P CA 1.050 64.165 63.100 0.026 0.000 0.817 119 P CB 0.100 31.800 31.700 -0.000 0.000 0.785 120 R N 0.110 120.624 120.500 0.024 0.000 2.090 120 R HA -0.052 4.287 4.340 -0.001 0.000 0.228 120 R C 2.119 178.437 176.300 0.030 0.000 1.110 120 R CA 1.023 57.138 56.100 0.025 0.000 0.973 120 R CB -1.299 29.011 30.300 0.017 0.000 0.869 120 R HN 0.056 nan 8.270 nan 0.000 0.440 121 E N 1.828 122.044 120.200 0.028 0.000 2.051 121 E HA -0.172 4.178 4.350 -0.001 0.000 0.192 121 E C 2.035 178.650 176.600 0.025 0.000 0.991 121 E CA 1.487 57.903 56.400 0.025 0.000 0.799 121 E CB -0.111 29.602 29.700 0.023 0.000 0.748 121 E HN 0.491 nan 8.360 nan 0.000 0.449 122 I N 0.895 121.480 120.570 0.025 0.000 2.226 122 I HA -0.266 3.903 4.170 -0.001 0.000 0.245 122 I C 2.844 178.975 176.117 0.023 0.000 1.100 122 I CA 1.266 62.577 61.300 0.018 0.000 1.374 122 I CB -0.271 37.741 38.000 0.020 0.000 1.057 122 I HN 0.078 nan 8.210 nan 0.000 0.413 123 K N 0.917 121.347 120.400 0.050 0.000 2.057 123 K HA -0.180 4.139 4.320 -0.001 0.000 0.206 123 K C 1.969 178.629 176.600 0.100 0.000 1.050 123 K CA 1.430 57.776 56.287 0.098 0.000 0.935 123 K CB -0.001 32.569 32.500 0.116 0.000 0.715 123 K HN 0.238 nan 8.250 nan 0.000 0.439 124 N N 0.918 119.658 118.700 0.066 0.000 2.104 124 N HA -0.186 4.554 4.740 -0.001 0.000 0.190 124 N C 1.643 177.179 175.510 0.044 0.000 1.024 124 N CA 1.507 54.592 53.050 0.059 0.000 0.853 124 N CB -0.436 38.075 38.487 0.040 0.000 1.008 124 N HN 0.300 nan 8.380 nan 0.000 0.424 125 A N 1.122 123.955 122.820 0.022 0.000 1.902 125 A HA -0.052 4.268 4.320 -0.001 0.000 0.217 125 A C 2.335 179.901 177.584 -0.030 0.000 1.181 125 A CA 0.845 52.884 52.037 0.004 0.000 0.623 125 A CB -0.622 18.377 19.000 -0.003 0.000 0.818 125 A HN 0.233 nan 8.150 nan 0.000 0.443 126 I N -0.223 120.299 120.570 -0.079 0.000 2.208 126 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 126 I C 2.437 178.432 176.117 -0.203 0.000 1.097 126 I CA 1.760 62.907 61.300 -0.255 0.000 1.363 126 I CB -0.579 37.134 38.000 -0.478 0.000 1.051 126 I HN 0.434 nan 8.210 nan 0.000 0.413 127 E N 0.808 121.026 120.200 0.031 0.000 2.110 127 E HA -0.262 4.088 4.350 -0.001 0.000 0.193 127 E C 2.163 178.807 176.600 0.074 0.000 0.988 127 E CA 1.072 57.559 56.400 0.145 0.000 0.804 127 E CB -0.122 29.684 29.700 0.178 0.000 0.745 127 E HN 0.390 nan 8.360 nan 0.000 0.458 128 K N 0.720 121.150 120.400 0.050 0.000 2.103 128 K HA -0.112 4.207 4.320 -0.001 0.000 0.204 128 K C 2.388 179.042 176.600 0.089 0.000 1.052 128 K CA 1.111 57.434 56.287 0.061 0.000 0.945 128 K CB -0.052 32.477 32.500 0.050 0.000 0.722 128 K HN -0.022 nan 8.250 nan 0.000 0.443 129 S N 0.233 115.975 115.700 0.069 0.000 2.356 129 S HA -0.114 4.356 4.470 -0.001 0.000 0.223 129 S C 1.949 176.710 174.600 0.267 0.000 1.032 129 S CA 1.464 59.764 58.200 0.168 0.000 1.005 129 S CB -0.244 63.008 63.200 0.087 0.000 0.867 129 S HN 0.173 nan 8.310 nan 0.000 0.449 130 V N 2.100 122.026 119.914 0.021 0.000 2.343 130 V HA -0.149 3.970 4.120 -0.001 0.000 0.247 130 V C 3.019 179.240 176.094 0.211 0.000 1.051 130 V CA 2.211 64.522 62.300 0.018 0.000 1.036 130 V CB -1.591 30.146 31.823 -0.142 0.000 0.654 130 V HN 0.892 nan 8.190 nan 0.000 0.451 131 T N -2.364 112.286 114.554 0.160 0.000 2.821 131 T HA -0.213 4.137 4.350 -0.001 0.000 0.267 131 T C 1.568 176.364 174.700 0.160 0.000 1.046 131 T CA 1.498 63.685 62.100 0.144 0.000 1.139 131 T CB -0.477 68.448 68.868 0.096 0.000 0.871 131 T HN 0.388 nan 8.240 nan 0.000 0.454 132 D N 0.772 121.286 120.400 0.189 0.000 2.190 132 D HA -0.046 4.594 4.640 -0.001 0.000 0.200 132 D C 1.299 177.627 176.300 0.047 0.000 0.992 132 D CA 1.002 55.069 54.000 0.111 0.000 0.854 132 D CB -0.445 40.430 40.800 0.124 0.000 0.936 132 D HN 0.548 nan 8.370 nan 0.000 0.462 133 F N -0.873 119.146 119.950 0.114 0.000 2.765 133 F HA 0.251 4.778 4.527 -0.001 0.000 0.302 133 F C 1.734 177.588 175.800 0.091 0.000 1.111 133 F CA 0.360 58.425 58.000 0.109 0.000 1.359 133 F CB 0.754 39.868 39.000 0.190 0.000 1.097 133 F HN 0.022 nan 8.300 nan 0.000 0.577 134 G N 0.224 109.158 108.800 0.223 0.000 2.131 134 G HA2 0.175 4.135 3.960 -0.001 0.000 0.201 134 G HA3 0.175 4.135 3.960 -0.001 0.000 0.201 134 G C 0.402 175.392 174.900 0.150 0.000 1.000 134 G CA -0.189 44.999 45.100 0.147 0.000 0.680 134 G HN 1.040 nan 8.290 nan 0.000 0.514 135 G N -1.955 106.952 108.800 0.179 0.000 2.612 135 G HA2 0.214 4.174 3.960 -0.001 0.000 0.686 135 G HA3 0.214 4.174 3.960 -0.001 0.000 0.686 135 G C 0.462 175.460 174.900 0.163 0.000 1.274 135 G CA 0.023 45.209 45.100 0.143 0.000 0.849 135 G HN 1.569 nan 8.290 nan 0.000 0.595 136 L N 0.371 121.670 121.223 0.128 0.000 2.079 136 L HA 0.063 4.402 4.340 -0.001 0.000 0.210 136 L C 2.570 179.523 176.870 0.138 0.000 1.081 136 L CA 3.114 58.028 54.840 0.123 0.000 0.752 136 L CB -0.714 41.419 42.059 0.123 0.000 0.896 136 L HN 0.785 nan 8.230 nan 0.000 0.433 137 E N -0.633 119.634 120.200 0.113 0.000 2.031 137 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 137 E C 1.904 178.573 176.600 0.115 0.000 0.994 137 E CA 1.344 57.802 56.400 0.098 0.000 0.800 137 E CB -0.280 29.463 29.700 0.072 0.000 0.752 137 E HN 0.529 nan 8.360 nan 0.000 0.447 138 N N 0.537 119.318 118.700 0.135 0.000 2.120 138 N HA -0.174 4.565 4.740 -0.001 0.000 0.188 138 N C 1.623 177.240 175.510 0.178 0.000 1.024 138 N CA 0.953 54.090 53.050 0.145 0.000 0.852 138 N CB -0.569 38.011 38.487 0.156 0.000 1.003 138 N HN 0.256 nan 8.380 nan 0.000 0.424 139 Y N 1.724 122.065 120.300 0.068 0.000 2.128 139 Y HA -0.225 4.325 4.550 -0.000 0.000 0.284 139 Y C 2.199 178.036 175.900 -0.106 0.000 1.154 139 Y CA 1.710 59.769 58.100 -0.068 0.000 1.149 139 Y CB 0.021 38.389 38.460 -0.154 0.000 0.976 139 Y HN -0.032 nan 8.280 nan 0.000 0.505 140 K N 0.105 120.645 120.400 0.234 0.000 2.001 140 K HA -0.273 4.046 4.320 -0.001 0.000 0.214 140 K C 2.113 178.727 176.600 0.023 0.000 1.050 140 K CA 2.369 58.740 56.287 0.141 0.000 0.934 140 K CB -0.278 32.292 32.500 0.117 0.000 0.718 140 K HN 0.667 nan 8.250 nan 0.000 0.443 141 E N 0.917 121.134 120.200 0.029 0.000 2.072 141 E HA -0.180 4.169 4.350 -0.001 0.000 0.190 141 E C 2.130 178.719 176.600 -0.017 0.000 0.982 141 E CA 0.783 57.188 56.400 0.009 0.000 0.803 141 E CB -0.484 29.231 29.700 0.025 0.000 0.755 141 E HN 0.211 nan 8.360 nan 0.000 0.453 142 L N 1.941 123.156 121.223 -0.014 0.000 2.261 142 L HA -0.093 4.246 4.340 -0.001 0.000 0.216 142 L C 1.357 178.166 176.870 -0.102 0.000 1.114 142 L CA 1.448 56.282 54.840 -0.010 0.000 0.777 142 L CB -0.237 41.879 42.059 0.095 0.000 0.910 142 L HN 0.432 nan 8.230 nan 0.000 0.440 143 T N -5.861 108.561 114.554 -0.220 0.000 2.769 143 T HA 0.342 4.691 4.350 -0.001 0.000 0.258 143 T C 1.123 175.748 174.700 -0.124 0.000 1.008 143 T CA -0.075 61.871 62.100 -0.256 0.000 1.021 143 T CB 0.498 69.062 68.868 -0.507 0.000 1.788 143 T HN -0.040 nan 8.240 nan 0.000 0.577 144 G N -1.174 107.568 108.800 -0.097 0.000 2.744 144 G HA2 0.391 4.351 3.960 -0.001 0.000 0.211 144 G HA3 0.391 4.351 3.960 -0.001 0.000 0.211 144 G C 1.141 176.031 174.900 -0.017 0.000 1.143 144 G CA 0.268 45.341 45.100 -0.044 0.000 0.788 144 G HN 1.842 nan 8.290 nan 0.000 0.534 145 G N -1.516 107.280 108.800 -0.006 0.000 2.159 145 G HA2 0.140 4.100 3.960 -0.001 0.000 0.227 145 G HA3 0.140 4.100 3.960 -0.001 0.000 0.227 145 G C 0.425 175.350 174.900 0.042 0.000 0.986 145 G CA 0.136 45.251 45.100 0.024 0.000 0.651 145 G HN 1.300 nan 8.290 nan 0.000 0.523 146 A N 0.381 123.228 122.820 0.046 0.000 2.409 146 A HA 0.537 4.857 4.320 -0.001 0.000 0.262 146 A C 0.249 177.890 177.584 0.094 0.000 1.113 146 A CA 0.550 52.622 52.037 0.059 0.000 0.790 146 A CB 0.483 19.511 19.000 0.047 0.000 1.046 146 A HN 0.543 nan 8.150 nan 0.000 0.496 147 D N 3.396 123.830 120.400 0.057 0.000 2.316 147 D HA 0.343 4.982 4.640 -0.001 0.000 0.245 147 D C -1.679 174.592 176.300 -0.049 0.000 1.171 147 D CA -1.965 52.057 54.000 0.036 0.000 0.856 147 D CB 1.200 42.050 40.800 0.082 0.000 1.090 147 D HN 0.173 nan 8.370 nan 0.000 0.476 148 P HA -0.013 nan 4.420 nan 0.000 0.226 148 P C 0.754 177.826 177.300 -0.381 0.000 1.153 148 P CA 0.608 63.472 63.100 -0.393 0.000 0.777 148 P CB -0.017 31.220 31.700 -0.773 0.000 0.794 149 F N -0.074 119.821 119.950 -0.093 0.000 2.780 149 F HA 0.234 4.761 4.527 -0.000 0.000 0.299 149 F C 1.595 177.383 175.800 -0.019 0.000 1.146 149 F CA -0.367 57.601 58.000 -0.054 0.000 1.428 149 F CB -1.065 37.900 39.000 -0.058 0.000 1.115 149 F HN -0.176 nan 8.300 nan 0.000 0.583 150 A N 1.103 123.995 122.820 0.120 0.000 2.483 150 A HA 0.245 4.564 4.320 -0.001 0.000 0.238 150 A C 0.319 177.956 177.584 0.089 0.000 1.070 150 A CA -0.441 51.652 52.037 0.093 0.000 0.770 150 A CB -0.079 18.958 19.000 0.062 0.000 1.008 150 A HN 0.257 nan 8.150 nan 0.000 0.497 151 L N 1.860 123.137 121.223 0.090 0.000 2.490 151 L HA 0.047 4.387 4.340 -0.001 0.000 0.274 151 L C 0.526 177.460 176.870 0.107 0.000 1.201 151 L CA 0.477 55.381 54.840 0.108 0.000 0.869 151 L CB 0.169 42.288 42.059 0.100 0.000 1.123 151 L HN 0.700 nan 8.230 nan 0.000 0.484 152 M N 2.574 122.267 119.600 0.154 0.000 2.318 152 M HA 0.238 4.718 4.480 -0.001 0.000 0.347 152 M C 0.141 176.462 176.300 0.034 0.000 1.175 152 M CA -0.298 55.061 55.300 0.098 0.000 1.075 152 M CB 1.651 34.328 32.600 0.128 0.000 1.614 152 M HN 0.571 nan 8.290 nan 0.000 0.456 153 T N 1.803 116.320 114.554 -0.062 0.000 2.788 153 T HA 0.621 4.971 4.350 -0.001 0.000 0.296 153 T C -2.666 171.873 174.700 -0.269 0.000 1.009 153 T CA -1.770 60.241 62.100 -0.148 0.000 0.949 153 T CB 0.619 69.450 68.868 -0.061 0.000 0.946 153 T HN 0.322 nan 8.240 nan 0.000 0.453 154 P HA 0.334 nan 4.420 nan 0.000 0.280 154 P C 0.692 177.807 177.300 -0.308 0.000 1.244 154 P CA -0.690 62.085 63.100 -0.542 0.000 0.784 154 P CB 0.751 31.788 31.700 -1.104 0.000 0.913 158 L N 2.653 123.875 121.223 -0.002 0.000 2.056 158 L HA 0.128 4.468 4.340 -0.001 0.000 0.207 158 L C 2.980 179.903 176.870 0.087 0.000 1.078 158 L CA 3.181 58.073 54.840 0.087 0.000 0.749 158 L CB -0.556 41.518 42.059 0.026 0.000 0.901 158 L HN 0.391 nan 8.230 nan 0.000 0.433 159 S N -0.467 115.174 115.700 -0.098 0.000 2.355 159 S HA -0.120 4.350 4.470 -0.001 0.000 0.222 159 S C 2.167 176.850 174.600 0.139 0.000 1.031 159 S CA 0.904 59.062 58.200 -0.070 0.000 0.993 159 S CB -1.148 61.902 63.200 -0.251 0.000 0.859 159 S HN 0.478 nan 8.310 nan 0.000 0.453 160 A N 3.166 126.002 122.820 0.027 0.000 1.883 160 A HA -0.166 4.154 4.320 -0.001 0.000 0.217 160 A C 2.210 179.818 177.584 0.039 0.000 1.186 160 A CA 1.883 53.933 52.037 0.021 0.000 0.624 160 A CB -1.098 17.853 19.000 -0.083 0.000 0.822 160 A HN 0.583 nan 8.150 nan 0.000 0.444 161 N N 0.481 119.156 118.700 -0.042 0.000 2.120 161 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 161 N C 1.473 177.007 175.510 0.039 0.000 1.024 161 N CA 1.487 54.433 53.050 -0.174 0.000 0.852 161 N CB -0.549 37.585 38.487 -0.589 0.000 1.003 161 N HN 0.515 nan 8.380 nan 0.000 0.424 162 N N 0.947 119.784 118.700 0.228 0.000 2.171 162 N HA 0.037 4.776 4.740 -0.001 0.000 0.184 162 N C 1.974 177.621 175.510 0.229 0.000 1.021 162 N CA 0.398 53.633 53.050 0.308 0.000 0.854 162 N CB -0.087 38.670 38.487 0.450 0.000 0.994 162 N HN 0.269 nan 8.380 nan 0.000 0.426 163 I N 0.402 121.131 120.570 0.265 0.000 2.286 163 I HA -0.251 3.919 4.170 -0.001 0.000 0.248 163 I C 2.143 178.293 176.117 0.055 0.000 1.115 163 I CA 0.791 62.188 61.300 0.162 0.000 1.392 163 I CB -0.254 37.867 38.000 0.201 0.000 1.065 163 I HN -0.022 nan 8.210 nan 0.000 0.418 164 F N 2.028 121.950 119.950 -0.048 0.000 2.095 164 F HA -0.293 4.233 4.527 -0.001 0.000 0.298 164 F C 2.453 178.178 175.800 -0.124 0.000 1.104 164 F CA 1.861 59.796 58.000 -0.108 0.000 1.232 164 F CB -0.171 38.773 39.000 -0.093 0.000 0.987 164 F HN -0.152 nan 8.300 nan 0.000 0.475 165 K N -0.096 120.388 120.400 0.139 0.000 2.032 165 K HA -0.208 4.112 4.320 -0.001 0.000 0.209 165 K C 1.950 178.507 176.600 -0.072 0.000 1.048 165 K CA 1.704 58.011 56.287 0.034 0.000 0.927 165 K CB -0.614 31.961 32.500 0.125 0.000 0.712 165 K HN 0.274 nan 8.250 nan 0.000 0.441 166 L N 0.934 122.141 121.223 -0.027 0.000 2.131 166 L HA -0.137 4.203 4.340 -0.001 0.000 0.210 166 L C 2.025 178.898 176.870 0.005 0.000 1.092 166 L CA 1.611 56.459 54.840 0.013 0.000 0.759 166 L CB -0.105 42.003 42.059 0.081 0.000 0.903 166 L HN 0.213 nan 8.230 nan 0.000 0.435 167 M N -1.868 117.571 119.600 -0.268 0.000 2.287 167 M HA -0.066 4.414 4.480 -0.001 0.000 0.266 167 M C 1.929 177.983 176.300 -0.410 0.000 1.079 167 M CA 1.763 56.695 55.300 -0.612 0.000 1.146 167 M CB -0.364 31.555 32.600 -1.136 0.000 1.374 167 M HN 0.459 nan 8.290 nan 0.000 0.435 168 T N -2.898 111.387 114.554 -0.448 0.000 3.040 168 T HA 0.138 4.488 4.350 -0.001 0.000 0.252 168 T C 0.594 175.145 174.700 -0.248 0.000 1.064 168 T CA -0.116 61.728 62.100 -0.425 0.000 1.110 168 T CB -0.176 68.142 68.868 -0.916 0.000 0.921 168 T HN 0.244 nan 8.240 nan 0.000 0.480 169 E N 1.599 121.691 120.200 -0.181 0.000 2.366 169 E HA 0.406 4.756 4.350 -0.001 0.000 0.266 169 E C 0.988 177.558 176.600 -0.051 0.000 1.015 169 E CA 0.007 56.349 56.400 -0.098 0.000 0.906 169 E CB 1.195 30.853 29.700 -0.070 0.000 0.979 169 E HN 0.574 nan 8.360 nan 0.000 0.443 170 K N 3.096 123.479 120.400 -0.028 0.000 2.183 170 K HA -0.038 4.282 4.320 -0.001 0.000 0.218 170 K C 1.031 177.618 176.600 -0.022 0.000 1.025 170 K CA 1.319 57.598 56.287 -0.014 0.000 0.944 170 K CB -0.036 32.468 32.500 0.007 0.000 0.936 170 K HN 0.688 nan 8.250 nan 0.000 0.460 171 D N -1.482 118.911 120.400 -0.012 0.000 2.530 171 D HA 0.194 4.834 4.640 -0.001 0.000 0.253 171 D C -0.716 175.580 176.300 -0.006 0.000 1.338 171 D CA -0.018 53.973 54.000 -0.015 0.000 0.806 171 D CB 0.015 40.809 40.800 -0.010 0.000 1.160 171 D HN 0.149 nan 8.370 nan 0.000 0.514 172 V N 1.373 121.289 119.914 0.004 0.000 2.531 172 V HA 0.466 4.586 4.120 -0.001 0.000 0.301 172 V C -2.464 173.642 176.094 0.020 0.000 1.034 172 V CA -1.806 60.504 62.300 0.016 0.000 0.865 172 V CB 2.095 33.936 31.823 0.031 0.000 0.995 172 V HN -0.149 nan 8.190 nan 0.000 0.424 173 P HA 0.198 nan 4.420 nan 0.000 0.264 173 P C -0.704 176.630 177.300 0.056 0.000 1.183 173 P CA 0.385 63.507 63.100 0.038 0.000 0.763 173 P CB 0.364 32.091 31.700 0.045 0.000 0.807 174 I N 2.583 123.192 120.570 0.064 0.000 2.382 174 I HA 0.222 4.392 4.170 -0.001 0.000 0.286 174 I C 0.025 176.219 176.117 0.129 0.000 1.002 174 I CA -0.591 60.765 61.300 0.094 0.000 1.135 174 I CB 1.595 39.623 38.000 0.047 0.000 1.288 174 I HN 0.181 nan 8.210 nan 0.000 0.448 175 D N 9.205 129.677 120.400 0.119 0.000 2.396 175 D HA 0.281 4.920 4.640 -0.001 0.000 0.225 175 D C -1.828 174.493 176.300 0.036 0.000 1.121 175 D CA -2.187 51.875 54.000 0.105 0.000 0.853 175 D CB 1.997 42.865 40.800 0.113 0.000 1.043 175 D HN 0.181 nan 8.370 nan 0.000 0.500 176 P HA -0.042 nan 4.420 nan 0.000 0.226 176 P C 1.017 178.241 177.300 -0.126 0.000 1.153 176 P CA 0.914 63.865 63.100 -0.247 0.000 0.777 176 P CB 0.125 31.560 31.700 -0.441 0.000 0.794 177 T N -5.713 108.780 114.554 -0.102 0.000 3.107 177 T HA 0.195 4.545 4.350 -0.001 0.000 0.249 177 T C 1.234 175.945 174.700 0.019 0.000 1.096 177 T CA 0.329 62.400 62.100 -0.050 0.000 1.012 177 T CB -0.548 68.308 68.868 -0.021 0.000 0.977 177 T HN -0.100 nan 8.240 nan 0.000 0.527 178 S N 0.661 116.395 115.700 0.057 0.000 2.649 178 S HA 0.392 4.862 4.470 -0.001 0.000 0.246 178 S C 0.725 175.378 174.600 0.088 0.000 1.057 178 S CA -0.701 57.538 58.200 0.065 0.000 1.051 178 S CB 0.158 63.395 63.200 0.060 0.000 1.018 178 S HN 0.726 nan 8.310 nan 0.000 0.569 179 I N 1.190 121.823 120.570 0.104 0.000 3.060 179 I HA 0.283 4.452 4.170 -0.001 0.000 0.285 179 I C -0.090 176.096 176.117 0.115 0.000 1.190 179 I CA -0.500 60.842 61.300 0.070 0.000 1.363 179 I CB 0.328 38.319 38.000 -0.015 0.000 1.396 179 I HN -0.021 nan 8.210 nan 0.000 0.607 180 E N 2.686 122.910 120.200 0.039 0.000 2.316 180 E HA 0.272 4.622 4.350 -0.001 0.000 0.275 180 E C -1.462 175.120 176.600 -0.031 0.000 1.029 180 E CA -0.153 56.278 56.400 0.050 0.000 0.871 180 E CB 0.680 30.382 29.700 0.004 0.000 1.022 180 E HN 0.445 nan 8.360 nan 0.000 0.418 181 Y N 1.531 121.751 120.300 -0.134 0.000 2.419 181 Y HA 0.331 4.881 4.550 -0.001 0.000 0.328 181 Y C 0.271 176.001 175.900 -0.282 0.000 1.162 181 Y CA -1.015 56.960 58.100 -0.208 0.000 1.174 181 Y CB 1.121 39.461 38.460 -0.199 0.000 1.228 181 Y HN 0.268 nan 8.280 nan 0.000 0.473 182 L N 2.070 123.067 121.223 -0.377 0.000 2.357 182 L HA 0.511 4.851 4.340 -0.001 0.000 0.273 182 L C -0.189 176.396 176.870 -0.475 0.000 1.080 182 L CA -0.299 54.235 54.840 -0.509 0.000 0.803 182 L CB 1.602 43.143 42.059 -0.863 0.000 1.174 182 L HN 0.699 nan 8.230 nan 0.000 0.443 186 S N 3.257 119.083 115.700 0.210 0.000 2.537 186 S HA 0.237 4.707 4.470 -0.001 0.000 0.286 186 S C 1.162 175.938 174.600 0.293 0.000 1.299 186 S CA -0.265 58.068 58.200 0.221 0.000 1.067 186 S CB -0.048 63.229 63.200 0.129 0.000 0.864 186 S HN 0.609 nan 8.310 nan 0.000 0.494 187 F N 5.383 125.382 119.950 0.082 0.000 2.102 187 F HA 0.008 4.535 4.527 -0.001 0.000 0.298 187 F C 2.238 178.020 175.800 -0.031 0.000 1.105 187 F CA 1.867 59.795 58.000 -0.120 0.000 1.239 187 F CB -1.113 37.692 39.000 -0.324 0.000 0.991 187 F HN 0.763 nan 8.300 nan 0.000 0.474 188 A N 0.235 122.982 122.820 -0.121 0.000 1.883 188 A HA -0.244 4.076 4.320 -0.001 0.000 0.217 188 A C 2.184 179.661 177.584 -0.178 0.000 1.186 188 A CA 2.026 53.940 52.037 -0.205 0.000 0.624 188 A CB -1.074 17.898 19.000 -0.047 0.000 0.822 188 A HN 0.565 nan 8.150 nan 0.000 0.444 189 E N -1.562 118.605 120.200 -0.054 0.000 2.038 189 E HA -0.286 4.063 4.350 -0.001 0.000 0.195 189 E C 2.007 178.579 176.600 -0.046 0.000 1.000 189 E CA 1.628 58.012 56.400 -0.027 0.000 0.803 189 E CB -0.338 29.385 29.700 0.039 0.000 0.750 189 E HN 0.864 nan 8.360 nan 0.000 0.448 190 H N 0.536 119.555 119.070 -0.084 0.000 2.352 190 H HA -0.108 4.447 4.556 -0.001 0.000 0.299 190 H C 1.974 177.168 175.328 -0.224 0.000 1.097 190 H CA 1.648 57.651 56.048 -0.074 0.000 1.311 190 H CB -0.227 29.604 29.762 0.115 0.000 1.377 190 H HN -0.060 nan 8.280 nan 0.000 0.504 191 V N 1.026 120.679 119.914 -0.434 0.000 2.469 191 V HA -0.296 3.824 4.120 -0.001 0.000 0.251 191 V C 2.045 177.904 176.094 -0.391 0.000 1.064 191 V CA 1.990 63.976 62.300 -0.522 0.000 1.066 191 V CB -0.509 30.951 31.823 -0.605 0.000 0.667 191 V HN 0.574 nan 8.190 nan 0.000 0.461 192 N N 0.487 119.014 118.700 -0.288 0.000 2.244 192 N HA -0.129 4.610 4.740 -0.001 0.000 0.183 192 N C 2.040 177.426 175.510 -0.207 0.000 1.016 192 N CA 1.908 54.836 53.050 -0.203 0.000 0.866 192 N CB -0.546 37.861 38.487 -0.134 0.000 0.980 192 N HN 0.717 nan 8.380 nan 0.000 0.430 193 T N -1.371 113.025 114.554 -0.263 0.000 3.072 193 T HA 0.062 4.411 4.350 -0.001 0.000 0.266 193 T C 0.951 175.482 174.700 -0.282 0.000 1.127 193 T CA 0.156 62.115 62.100 -0.236 0.000 1.107 193 T CB -0.268 68.460 68.868 -0.232 0.000 0.910 193 T HN 0.011 nan 8.240 nan 0.000 0.513 194 L N 2.019 123.001 121.223 -0.402 0.000 2.371 194 L HA 0.359 4.699 4.340 -0.001 0.000 0.272 194 L C 0.408 177.185 176.870 -0.154 0.000 1.124 194 L CA -0.785 53.771 54.840 -0.473 0.000 0.816 194 L CB 0.509 42.053 42.059 -0.858 0.000 1.129 194 L HN 0.149 nan 8.230 nan 0.000 0.448 195 D N 1.051 121.501 120.400 0.084 0.000 2.343 195 D HA 0.004 4.643 4.640 -0.001 0.000 0.255 195 D C 1.165 177.562 176.300 0.162 0.000 1.187 195 D CA -0.015 54.088 54.000 0.172 0.000 0.875 195 D CB 1.446 42.388 40.800 0.237 0.000 1.136 195 D HN 0.591 nan 8.370 nan 0.000 0.469 196 S N 3.609 119.319 115.700 0.017 0.000 2.383 196 S HA -0.255 4.215 4.470 -0.001 0.000 0.229 196 S C 1.334 175.834 174.600 -0.166 0.000 1.030 196 S CA 1.140 59.255 58.200 -0.143 0.000 1.002 196 S CB -0.577 62.430 63.200 -0.322 0.000 0.829 196 S HN 0.672 nan 8.310 nan 0.000 0.467 197 H N 1.243 120.323 119.070 0.018 0.000 2.556 197 H HA 0.407 4.963 4.556 -0.001 0.000 0.268 197 H C 0.342 175.650 175.328 -0.033 0.000 0.996 197 H CA 0.423 56.467 56.048 -0.007 0.000 1.157 197 H CB -0.062 29.693 29.762 -0.011 0.000 1.355 197 H HN 0.432 nan 8.280 nan 0.000 0.597 198 K N 1.268 121.712 120.400 0.073 0.000 2.156 198 K HA 0.237 4.557 4.320 -0.001 0.000 0.250 198 K C -0.341 176.150 176.600 -0.180 0.000 0.955 198 K CA -0.972 55.251 56.287 -0.107 0.000 0.855 198 K CB 1.323 33.679 32.500 -0.240 0.000 1.101 198 K HN 0.133 nan 8.250 nan 0.000 0.434 199 N N 1.981 120.433 118.700 -0.413 0.000 2.499 199 N HA 0.223 4.962 4.740 -0.001 0.000 0.281 199 N C -1.017 174.092 175.510 -0.668 0.000 1.098 199 N CA 0.101 52.812 53.050 -0.566 0.000 0.979 199 N CB 0.654 38.449 38.487 -1.152 0.000 1.121 199 N HN 0.385 nan 8.380 nan 0.000 0.466 200 Y N -0.543 119.690 120.300 -0.111 0.000 2.512 200 Y HA 0.463 5.012 4.550 -0.001 0.000 0.348 200 Y C -0.101 176.015 175.900 0.359 0.000 0.990 200 Y CA -1.024 57.157 58.100 0.134 0.000 1.033 200 Y CB 1.989 40.519 38.460 0.116 0.000 1.259 200 Y HN 0.146 nan 8.280 nan 0.000 0.461 201 V N 3.518 123.745 119.914 0.521 0.000 2.604 201 V HA 0.708 4.827 4.120 -0.001 0.000 0.305 201 V C -1.451 174.876 176.094 0.389 0.000 1.043 201 V CA -0.683 61.827 62.300 0.351 0.000 0.888 201 V CB 1.766 33.621 31.823 0.053 0.000 0.995 201 V HN 0.562 nan 8.190 nan 0.000 0.429 202 V N 7.843 127.957 119.914 0.334 0.000 2.384 202 V HA 0.490 4.610 4.120 -0.001 0.000 0.287 202 V C -0.013 176.177 176.094 0.160 0.000 1.020 202 V CA -0.500 61.975 62.300 0.292 0.000 0.850 202 V CB 1.616 33.590 31.823 0.252 0.000 0.987 202 V HN 0.799 nan 8.190 nan 0.000 0.436 203 I N 5.833 126.459 120.570 0.094 0.000 2.342 203 I HA 0.510 4.680 4.170 -0.001 0.000 0.291 203 I C -0.685 175.349 176.117 -0.138 0.000 1.010 203 I CA -0.090 61.139 61.300 -0.117 0.000 1.308 203 I CB 1.078 38.840 38.000 -0.397 0.000 1.400 203 I HN 0.390 nan 8.210 nan 0.000 0.488 204 V N 7.094 126.799 119.914 -0.349 0.000 2.448 204 V HA 0.378 4.498 4.120 -0.001 0.000 0.295 204 V C -0.207 175.670 176.094 -0.361 0.000 1.025 204 V CA -0.762 61.285 62.300 -0.422 0.000 0.859 204 V CB 1.576 32.760 31.823 -1.066 0.000 0.988 204 V HN 0.703 nan 8.190 nan 0.000 0.431 205 N N 3.283 121.892 118.700 -0.151 0.000 2.609 205 N HA 0.162 4.902 4.740 -0.001 0.000 0.234 205 N C -0.967 174.481 175.510 -0.103 0.000 1.001 205 N CA -0.317 52.636 53.050 -0.163 0.000 0.926 205 N CB 0.969 39.322 38.487 -0.224 0.000 1.130 205 N HN 0.685 nan 8.380 nan 0.000 0.510 206 D N 2.194 122.557 120.400 -0.062 0.000 2.441 206 D HA 0.264 4.903 4.640 -0.001 0.000 0.221 206 D C 1.208 177.524 176.300 0.026 0.000 1.156 206 D CA -0.403 53.611 54.000 0.023 0.000 0.896 206 D CB 0.653 41.541 40.800 0.146 0.000 1.028 206 D HN 0.708 nan 8.370 nan 0.000 0.509 207 G N 3.617 112.421 108.800 0.005 0.000 2.471 207 G HA2 -0.237 3.723 3.960 -0.001 0.000 0.219 207 G HA3 -0.237 3.723 3.960 -0.001 0.000 0.219 207 G C 1.571 176.495 174.900 0.040 0.000 1.125 207 G CA 0.348 45.447 45.100 -0.002 0.000 0.775 207 G HN 0.367 nan 8.290 nan 0.000 0.548 208 R N -0.527 120.028 120.500 0.090 0.000 2.073 208 R HA 0.158 4.498 4.340 -0.001 0.000 0.229 208 R C 2.168 178.558 176.300 0.150 0.000 1.120 208 R CA 0.502 56.694 56.100 0.154 0.000 0.967 208 R CB -0.594 29.833 30.300 0.210 0.000 0.862 208 R HN 0.259 nan 8.270 nan 0.000 0.436 209 L N -0.875 120.418 121.223 0.116 0.000 2.341 209 L HA 0.280 4.620 4.340 -0.001 0.000 0.214 209 L C 0.938 177.849 176.870 0.068 0.000 1.115 209 L CA 1.391 56.292 54.840 0.102 0.000 0.820 209 L CB -0.611 41.516 42.059 0.112 0.000 0.944 209 L HN 0.488 nan 8.230 nan 0.000 0.452 210 G N -0.352 108.469 108.800 0.035 0.000 2.272 210 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.280 210 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.280 210 G C -0.052 174.896 174.900 0.081 0.000 1.067 210 G CA 0.593 45.682 45.100 -0.018 0.000 0.902 210 G HN 0.534 nan 8.290 nan 0.000 0.500 211 H N -0.852 118.208 119.070 -0.015 0.000 3.042 211 H HA 0.591 5.146 4.556 -0.001 0.000 0.345 211 H C -0.297 175.076 175.328 0.075 0.000 1.052 211 H CA -0.799 55.261 56.048 0.020 0.000 1.311 211 H CB 1.118 30.894 29.762 0.023 0.000 1.810 211 H HN 0.235 nan 8.280 nan 0.000 0.505 212 K N 4.609 124.762 120.400 -0.412 0.000 2.110 212 K HA 0.509 4.829 4.320 -0.001 0.000 0.263 212 K C -1.008 175.310 176.600 -0.471 0.000 0.975 212 K CA -0.623 55.433 56.287 -0.385 0.000 0.895 212 K CB 1.421 33.760 32.500 -0.269 0.000 1.060 212 K HN 0.447 nan 8.250 nan 0.000 0.448 213 F N -0.934 118.779 119.950 -0.395 0.000 2.779 213 F HA 0.554 5.081 4.527 -0.001 0.000 0.316 213 F C -1.738 173.989 175.800 -0.121 0.000 1.164 213 F CA -1.519 56.309 58.000 -0.288 0.000 0.924 213 F CB 0.926 39.764 39.000 -0.270 0.000 1.348 213 F HN 0.123 nan 8.300 nan 0.000 0.467 214 L N 2.192 123.496 121.223 0.134 0.000 2.346 214 L HA 0.635 4.975 4.340 -0.001 0.000 0.274 214 L C -0.941 176.064 176.870 0.225 0.000 1.007 214 L CA -0.935 53.968 54.840 0.105 0.000 0.818 214 L CB 2.183 44.326 42.059 0.141 0.000 1.284 214 L HN 0.560 nan 8.230 nan 0.000 0.424 215 I N 1.637 122.308 120.570 0.168 0.000 2.355 215 I HA 0.214 4.384 4.170 -0.001 0.000 0.288 215 I C -0.621 175.653 176.117 0.262 0.000 0.999 215 I CA -0.376 61.062 61.300 0.229 0.000 1.163 215 I CB 1.664 39.764 38.000 0.168 0.000 1.316 215 I HN 0.492 nan 8.210 nan 0.000 0.454 216 D N 7.624 128.203 120.400 0.300 0.000 2.249 216 D HA 0.387 5.026 4.640 -0.001 0.000 0.246 216 D C -0.691 175.829 176.300 0.367 0.000 1.114 216 D CA -0.025 54.174 54.000 0.332 0.000 0.854 216 D CB 1.117 42.109 40.800 0.320 0.000 1.132 216 D HN 0.371 nan 8.370 nan 0.000 0.461 217 L N 5.940 127.383 121.223 0.366 0.000 2.502 217 L HA 0.354 4.693 4.340 -0.001 0.000 0.247 217 L C -2.222 174.793 176.870 0.243 0.000 1.180 217 L CA -1.794 53.214 54.840 0.279 0.000 0.956 217 L CB 1.448 43.653 42.059 0.244 0.000 1.282 217 L HN 0.176 nan 8.230 nan 0.000 0.470 218 P HA 0.075 nan 4.420 nan 0.000 0.269 218 P C 0.046 177.378 177.300 0.053 0.000 1.215 218 P CA -0.179 62.997 63.100 0.127 0.000 0.780 218 P CB 0.714 32.515 31.700 0.167 0.000 0.898 219 A N 2.430 125.238 122.820 -0.019 0.000 2.507 219 A HA 0.112 4.431 4.320 -0.001 0.000 0.235 219 A C 0.074 177.645 177.584 -0.021 0.000 1.070 219 A CA -0.039 51.986 52.037 -0.021 0.000 0.768 219 A CB -0.653 18.324 19.000 -0.037 0.000 1.011 219 A HN 0.504 nan 8.150 nan 0.000 0.502 220 L N 1.042 122.236 121.223 -0.048 0.000 2.514 220 L HA 0.432 4.772 4.340 -0.001 0.000 0.280 220 L C 1.280 178.127 176.870 -0.039 0.000 1.223 220 L CA 1.979 56.788 54.840 -0.053 0.000 0.864 220 L CB 0.028 42.028 42.059 -0.098 0.000 1.118 220 L HN 1.021 nan 8.230 nan 0.000 0.494 226 T N -0.533 113.986 114.554 -0.058 0.000 2.859 226 T HA 0.842 5.191 4.350 -0.001 0.000 0.281 226 T C -0.166 174.409 174.700 -0.208 0.000 1.005 226 T CA -0.642 61.361 62.100 -0.161 0.000 1.025 226 T CB 1.988 70.747 68.868 -0.183 0.000 0.977 226 T HN 0.580 nan 8.240 nan 0.000 0.458 227 A N 2.756 125.387 122.820 -0.314 0.000 2.355 227 A HA 0.780 5.099 4.320 -0.001 0.000 0.317 227 A C -1.552 175.830 177.584 -0.337 0.000 1.094 227 A CA -0.919 51.019 52.037 -0.165 0.000 0.764 227 A CB 0.843 19.855 19.000 0.021 0.000 1.230 227 A HN 0.854 nan 8.150 nan 0.000 0.448 228 Y N 1.525 121.925 120.300 0.167 0.000 2.512 228 Y HA 0.541 5.091 4.550 -0.000 0.000 0.348 228 Y C 0.029 176.073 175.900 0.240 0.000 0.990 228 Y CA -1.018 57.191 58.100 0.181 0.000 1.033 228 Y CB 1.665 40.221 38.460 0.160 0.000 1.259 228 Y HN 0.439 nan 8.280 nan 0.000 0.461 229 I N 4.329 125.188 120.570 0.483 0.000 2.385 229 I HA 0.384 4.554 4.170 -0.001 0.000 0.294 229 I C -0.304 176.167 176.117 0.590 0.000 0.988 229 I CA -0.672 60.917 61.300 0.481 0.000 1.265 229 I CB 1.210 39.493 38.000 0.473 0.000 1.388 229 I HN 0.543 nan 8.210 nan 0.000 0.480 230 I N 6.064 126.854 120.570 0.367 0.000 2.447 230 I HA 0.362 4.531 4.170 -0.001 0.000 0.287 230 I C -0.474 175.690 176.117 0.078 0.000 1.023 230 I CA -0.446 61.031 61.300 0.294 0.000 1.083 230 I CB 1.850 39.998 38.000 0.247 0.000 1.245 230 I HN 0.652 nan 8.210 nan 0.000 0.434 231 Q N 4.517 124.244 119.800 -0.122 0.000 2.633 231 Q HA 0.714 5.053 4.340 -0.001 0.000 0.289 231 Q C -1.605 174.301 176.000 -0.157 0.000 0.940 231 Q CA -0.974 54.718 55.803 -0.185 0.000 0.785 231 Q CB 2.220 30.761 28.738 -0.329 0.000 1.467 231 Q HN 0.593 nan 8.270 nan 0.000 0.401 232 S N 0.051 115.699 115.700 -0.086 0.000 2.667 232 S HA 0.834 5.303 4.470 -0.001 0.000 0.292 232 S C -1.390 173.210 174.600 -0.001 0.000 1.126 232 S CA -0.552 57.608 58.200 -0.066 0.000 0.881 232 S CB 2.266 65.395 63.200 -0.118 0.000 1.132 232 S HN 0.717 nan 8.310 nan 0.000 0.492 233 D N 0.053 120.435 120.400 -0.030 0.000 2.871 233 D HA 0.246 4.886 4.640 -0.001 0.000 0.209 233 D C -0.047 176.226 176.300 -0.044 0.000 1.292 233 D CA -0.442 53.544 54.000 -0.024 0.000 0.869 233 D CB 1.666 42.388 40.800 -0.131 0.000 1.663 233 D HN 0.547 nan 8.370 nan 0.000 0.557 234 L N 2.190 123.391 121.223 -0.036 0.000 2.599 234 L HA 0.260 4.600 4.340 -0.001 0.000 0.230 234 L C 1.394 178.243 176.870 -0.034 0.000 1.141 234 L CA 0.780 55.599 54.840 -0.035 0.000 0.877 234 L CB -0.713 41.326 42.059 -0.033 0.000 1.009 234 L HN 0.737 nan 8.230 nan 0.000 0.447 235 G N -0.329 108.442 108.800 -0.049 0.000 2.741 235 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.222 235 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.222 235 G C 0.621 175.499 174.900 -0.036 0.000 1.364 235 G CA -0.352 44.717 45.100 -0.051 0.000 0.866 235 G HN 0.523 nan 8.290 nan 0.000 0.555 236 G N -2.545 106.238 108.800 -0.028 0.000 2.284 236 G HA2 0.264 4.224 3.960 -0.001 0.000 0.216 236 G HA3 0.264 4.224 3.960 -0.001 0.000 0.216 236 G C 1.714 176.610 174.900 -0.007 0.000 1.009 236 G CA 1.122 46.214 45.100 -0.014 0.000 0.625 236 G HN 2.457 nan 8.290 nan 0.000 0.501 237 G N -0.328 108.459 108.800 -0.021 0.000 2.882 237 G HA2 0.672 4.632 3.960 -0.001 0.000 0.164 237 G HA3 0.672 4.632 3.960 -0.001 0.000 0.164 237 G C 1.489 176.382 174.900 -0.012 0.000 1.429 237 G CA 1.329 46.426 45.100 -0.005 0.000 1.059 237 G HN 1.243 nan 8.290 nan 0.000 0.581 238 A N -1.200 121.613 122.820 -0.011 0.000 2.014 238 A HA 0.324 4.644 4.320 -0.001 0.000 0.218 238 A C 1.130 178.686 177.584 -0.046 0.000 1.163 238 A CA 0.623 52.655 52.037 -0.008 0.000 0.652 238 A CB -0.466 18.546 19.000 0.020 0.000 0.808 238 A HN 0.297 nan 8.150 nan 0.000 0.449 239 L N 0.415 121.574 121.223 -0.107 0.000 2.322 239 L HA 0.390 4.730 4.340 -0.001 0.000 0.279 239 L C -2.419 174.381 176.870 -0.117 0.000 1.036 239 L CA -2.393 52.359 54.840 -0.146 0.000 0.807 239 L CB 1.478 43.361 42.059 -0.293 0.000 1.226 239 L HN 0.003 nan 8.230 nan 0.000 0.433 240 P HA 0.153 nan 4.420 nan 0.000 0.272 240 P C -0.709 176.554 177.300 -0.062 0.000 1.230 240 P CA -0.485 62.587 63.100 -0.047 0.000 0.788 240 P CB 0.583 32.276 31.700 -0.013 0.000 0.949 241 A N 1.236 124.033 122.820 -0.039 0.000 2.466 241 A HA 0.428 4.748 4.320 -0.001 0.000 0.238 241 A C -0.223 177.354 177.584 -0.012 0.000 1.074 241 A CA 0.115 52.131 52.037 -0.035 0.000 0.774 241 A CB -0.134 18.855 19.000 -0.020 0.000 1.015 241 A HN 0.460 nan 8.150 nan 0.000 0.498 242 V N 3.462 123.371 119.914 -0.008 0.000 2.775 242 V HA 0.382 4.502 4.120 -0.001 0.000 0.295 242 V C -0.454 175.667 176.094 0.044 0.000 1.226 242 V CA -0.707 61.621 62.300 0.046 0.000 0.934 242 V CB 1.583 33.462 31.823 0.093 0.000 1.056 242 V HN 1.065 nan 8.190 nan 0.000 0.436 243 R N 3.756 124.295 120.500 0.066 0.000 2.543 243 R HA 0.275 4.615 4.340 -0.001 0.000 0.277 243 R C 1.027 177.403 176.300 0.126 0.000 1.074 243 R CA 0.344 56.480 56.100 0.060 0.000 1.076 243 R CB 1.519 31.857 30.300 0.063 0.000 0.993 243 R HN 0.671 nan 8.270 nan 0.000 0.459 244 V N 3.006 122.982 119.914 0.104 0.000 2.594 244 V HA -0.242 3.877 4.120 -0.001 0.000 0.253 244 V C 1.245 177.493 176.094 0.257 0.000 1.069 244 V CA 2.054 64.471 62.300 0.195 0.000 1.082 244 V CB -0.210 31.709 31.823 0.161 0.000 0.680 244 V HN 0.748 nan 8.190 nan 0.000 0.469 245 E N -0.040 120.283 120.200 0.205 0.000 2.072 245 E HA -0.157 4.193 4.350 -0.001 0.000 0.190 245 E C 1.998 178.685 176.600 0.146 0.000 0.982 245 E CA 1.555 58.061 56.400 0.176 0.000 0.803 245 E CB -0.249 29.540 29.700 0.148 0.000 0.755 245 E HN 0.625 nan 8.360 nan 0.000 0.453 246 D N -0.118 120.369 120.400 0.145 0.000 2.117 246 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 246 D C 1.521 177.904 176.300 0.138 0.000 0.982 246 D CA 0.661 54.732 54.000 0.119 0.000 0.828 246 D CB -0.316 40.553 40.800 0.114 0.000 0.967 246 D HN 0.311 nan 8.370 nan 0.000 0.464 247 W N 1.654 122.981 121.300 0.045 0.000 2.379 247 W HA -0.119 4.541 4.660 -0.001 0.000 0.307 247 W C 1.983 178.537 176.519 0.058 0.000 1.200 247 W CA 0.705 58.078 57.345 0.047 0.000 1.297 247 W CB -0.405 29.086 29.460 0.052 0.000 1.140 247 W HN -0.101 nan 8.180 nan 0.000 0.507 248 I N 0.803 121.471 120.570 0.164 0.000 2.315 248 I HA -0.313 3.857 4.170 -0.001 0.000 0.248 248 I C 2.856 178.943 176.117 -0.049 0.000 1.117 248 I CA 1.651 62.992 61.300 0.067 0.000 1.404 248 I CB -0.614 37.495 38.000 0.183 0.000 1.071 248 I HN -0.051 nan 8.210 nan 0.000 0.419 249 S N 0.756 116.444 115.700 -0.021 0.000 2.368 249 S HA -0.130 4.340 4.470 -0.001 0.000 0.224 249 S C 2.200 176.741 174.600 -0.098 0.000 1.029 249 S CA 1.109 59.287 58.200 -0.037 0.000 0.988 249 S CB -0.038 63.161 63.200 -0.001 0.000 0.838 249 S HN 0.308 nan 8.310 nan 0.000 0.462 250 R N -0.164 120.239 120.500 -0.161 0.000 2.140 250 R HA 0.281 4.620 4.340 -0.001 0.000 0.213 250 R C 1.611 177.726 176.300 -0.309 0.000 1.059 250 R CA 0.487 56.468 56.100 -0.199 0.000 1.000 250 R CB -0.062 30.129 30.300 -0.182 0.000 0.910 250 R HN 0.330 nan 8.270 nan 0.000 0.455 251 R N -1.139 119.046 120.500 -0.524 0.000 2.544 251 R HA 0.161 4.501 4.340 -0.001 0.000 0.303 251 R C 1.731 177.782 176.300 -0.414 0.000 0.939 251 R CA 0.510 56.228 56.100 -0.636 0.000 1.102 251 R CB 0.631 30.105 30.300 -1.377 0.000 1.440 251 R HN 0.200 nan 8.270 nan 0.000 0.532 252 G N 0.607 109.212 108.800 -0.325 0.000 2.450 252 G HA2 -0.180 3.780 3.960 -0.001 0.000 0.220 252 G HA3 -0.180 3.780 3.960 -0.001 0.000 0.220 252 G C 0.928 175.788 174.900 -0.067 0.000 1.130 252 G CA 0.804 45.857 45.100 -0.079 0.000 0.760 252 G HN 0.172 nan 8.290 nan 0.000 0.557 253 S N -0.156 115.491 115.700 -0.090 0.000 2.601 253 S HA 0.198 4.668 4.470 -0.001 0.000 0.244 253 S C -0.548 174.154 174.600 0.170 0.000 1.001 253 S CA -0.496 57.622 58.200 -0.136 0.000 0.984 253 S CB 0.629 63.746 63.200 -0.138 0.000 0.842 253 S HN 0.337 nan 8.310 nan 0.000 0.474 254 D N 3.156 123.687 120.400 0.217 0.000 2.427 254 D HA 0.378 5.017 4.640 -0.001 0.000 0.226 254 D C -2.771 173.652 176.300 0.205 0.000 1.076 254 D CA -2.241 51.859 54.000 0.167 0.000 0.849 254 D CB 1.145 41.948 40.800 0.005 0.000 1.052 254 D HN 0.016 nan 8.370 nan 0.000 0.515 255 P HA 0.106 nan 4.420 nan 0.000 0.269 255 P C -0.687 176.542 177.300 -0.118 0.000 1.215 255 P CA -0.513 62.423 63.100 -0.275 0.000 0.780 255 P CB 0.928 32.455 31.700 -0.289 0.000 0.898 256 V N 1.320 121.152 119.914 -0.136 0.000 2.628 256 V HA 0.327 4.446 4.120 -0.001 0.000 0.306 256 V C 0.215 176.287 176.094 -0.036 0.000 1.045 256 V CA -0.609 61.671 62.300 -0.032 0.000 0.905 256 V CB 1.948 33.788 31.823 0.028 0.000 0.997 256 V HN 0.648 nan 8.190 nan 0.000 0.436 257 S N 4.564 120.260 115.700 -0.007 0.000 2.516 257 S HA 0.201 4.671 4.470 -0.001 0.000 0.282 257 S C 1.168 175.786 174.600 0.029 0.000 1.286 257 S CA -0.305 57.895 58.200 0.001 0.000 1.066 257 S CB 0.273 63.479 63.200 0.009 0.000 0.884 257 S HN 0.616 nan 8.310 nan 0.000 0.491 258 L N 3.321 124.560 121.223 0.026 0.000 2.079 258 L HA -0.106 4.234 4.340 -0.001 0.000 0.210 258 L C 2.384 179.301 176.870 0.078 0.000 1.081 258 L CA 1.779 56.658 54.840 0.064 0.000 0.752 258 L CB -0.582 41.483 42.059 0.011 0.000 0.896 258 L HN 0.752 nan 8.230 nan 0.000 0.433 259 D N 0.217 120.643 120.400 0.044 0.000 2.087 259 D HA -0.226 4.414 4.640 -0.001 0.000 0.192 259 D C 2.022 178.358 176.300 0.061 0.000 0.993 259 D CA 1.580 55.608 54.000 0.047 0.000 0.828 259 D CB 0.062 40.879 40.800 0.029 0.000 0.968 259 D HN 0.277 nan 8.370 nan 0.000 0.448 260 E N -0.615 119.615 120.200 0.050 0.000 2.085 260 E HA -0.188 4.162 4.350 -0.001 0.000 0.194 260 E C 2.128 178.753 176.600 0.042 0.000 0.994 260 E CA 0.464 56.893 56.400 0.047 0.000 0.801 260 E CB -0.142 29.579 29.700 0.034 0.000 0.743 260 E HN 0.238 nan 8.360 nan 0.000 0.453 261 L N 1.936 123.192 121.223 0.054 0.000 2.042 261 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 261 L C 1.989 178.896 176.870 0.061 0.000 1.076 261 L CA 1.624 56.483 54.840 0.030 0.000 0.749 261 L CB -0.855 41.275 42.059 0.119 0.000 0.893 261 L HN 0.181 nan 8.230 nan 0.000 0.432 262 N N -0.993 117.807 118.700 0.167 0.000 2.120 262 N HA -0.224 4.515 4.740 -0.001 0.000 0.188 262 N C 1.690 177.266 175.510 0.111 0.000 1.024 262 N CA 1.276 54.436 53.050 0.184 0.000 0.852 262 N CB 0.118 38.693 38.487 0.147 0.000 1.003 262 N HN 0.558 nan 8.380 nan 0.000 0.424 263 Q N 0.754 120.609 119.800 0.093 0.000 2.079 263 Q HA -0.086 4.254 4.340 -0.001 0.000 0.200 263 Q C 2.317 178.389 176.000 0.120 0.000 0.974 263 Q CA 0.793 56.667 55.803 0.117 0.000 0.840 263 Q CB -0.070 28.742 28.738 0.124 0.000 0.898 263 Q HN 0.420 nan 8.270 nan 0.000 0.430 264 L N 0.328 121.545 121.223 -0.009 0.000 2.017 264 L HA -0.184 4.156 4.340 -0.001 0.000 0.208 264 L C 1.641 178.329 176.870 -0.303 0.000 1.073 264 L CA 1.013 55.672 54.840 -0.301 0.000 0.745 264 L CB 0.002 41.869 42.059 -0.320 0.000 0.894 264 L HN 0.262 nan 8.230 nan 0.000 0.432 265 L N -0.143 120.990 121.223 -0.150 0.000 2.552 265 L HA 0.059 4.398 4.340 -0.001 0.000 0.227 265 L C 1.415 178.305 176.870 0.032 0.000 1.146 265 L CA 0.673 55.446 54.840 -0.112 0.000 0.858 265 L CB -0.975 40.938 42.059 -0.244 0.000 0.969 265 L HN 0.137 nan 8.230 nan 0.000 0.451 266 S N -0.227 115.522 115.700 0.082 0.000 2.562 266 S HA 0.262 4.732 4.470 -0.001 0.000 0.281 266 S C 1.704 176.400 174.600 0.159 0.000 1.333 266 S CA 0.336 58.618 58.200 0.137 0.000 1.052 266 S CB 1.039 64.325 63.200 0.145 0.000 0.884 266 S HN 0.340 nan 8.310 nan 0.000 0.506 267 K N 2.733 123.216 120.400 0.139 0.000 2.211 267 K HA -0.118 4.202 4.320 -0.001 0.000 0.204 267 K C 1.244 177.924 176.600 0.134 0.000 1.047 267 K CA 2.110 58.472 56.287 0.126 0.000 0.935 267 K CB -1.000 31.557 32.500 0.095 0.000 0.728 267 K HN 0.843 nan 8.250 nan 0.000 0.452 268 D N -0.969 119.510 120.400 0.132 0.000 2.363 268 D HA 0.019 4.659 4.640 -0.001 0.000 0.220 268 D C 1.391 177.768 176.300 0.128 0.000 0.994 268 D CA 0.034 54.097 54.000 0.106 0.000 0.890 268 D CB -0.323 40.526 40.800 0.082 0.000 0.906 268 D HN 0.460 nan 8.370 nan 0.000 0.530 269 F N 2.631 122.604 119.950 0.037 0.000 2.087 269 F HA -0.313 4.213 4.527 -0.001 0.000 0.299 269 F C 2.277 178.094 175.800 0.027 0.000 1.100 269 F CA 1.945 59.965 58.000 0.033 0.000 1.226 269 F CB -0.407 38.616 39.000 0.038 0.000 0.983 269 F HN -0.026 nan 8.300 nan 0.000 0.479 270 S N -0.375 115.326 115.700 0.002 0.000 2.469 270 S HA -0.099 4.370 4.470 -0.001 0.000 0.238 270 S C 1.824 176.341 174.600 -0.139 0.000 0.998 270 S CA 1.187 59.322 58.200 -0.108 0.000 0.957 270 S CB -0.997 62.224 63.200 0.034 0.000 0.764 270 S HN 0.568 nan 8.310 nan 0.000 0.514 271 K N 0.783 121.126 120.400 -0.095 0.000 2.358 271 K HA 0.494 4.814 4.320 -0.001 0.000 0.197 271 K C 0.768 177.315 176.600 -0.089 0.000 1.025 271 K CA 0.204 56.449 56.287 -0.070 0.000 1.104 271 K CB -0.477 32.010 32.500 -0.022 0.000 0.855 271 K HN 0.571 nan 8.250 nan 0.000 0.531 272 M N 1.206 120.717 119.600 -0.148 0.000 2.247 272 M HA 0.274 4.753 4.480 -0.001 0.000 0.326 272 M C -2.275 173.941 176.300 -0.141 0.000 1.134 272 M CA -1.848 53.376 55.300 -0.128 0.000 1.136 272 M CB 0.423 32.939 32.600 -0.141 0.000 1.454 272 M HN -0.162 nan 8.290 nan 0.000 0.467 273 P HA -0.025 nan 4.420 nan 0.000 0.266 273 P C -0.186 177.057 177.300 -0.095 0.000 1.193 273 P CA 0.170 63.225 63.100 -0.074 0.000 0.770 273 P CB 0.397 32.070 31.700 -0.044 0.000 0.836 274 D N 1.252 121.606 120.400 -0.077 0.000 2.106 274 D HA -0.208 4.432 4.640 -0.001 0.000 0.191 274 D C 1.450 177.718 176.300 -0.054 0.000 0.997 274 D CA 1.649 55.605 54.000 -0.073 0.000 0.834 274 D CB -0.533 40.240 40.800 -0.045 0.000 0.956 274 D HN 0.584 nan 8.370 nan 0.000 0.448 275 D N 0.457 120.838 120.400 -0.032 0.000 2.218 275 D HA -0.113 4.527 4.640 -0.001 0.000 0.204 275 D C 2.007 178.300 176.300 -0.012 0.000 0.976 275 D CA 0.624 54.616 54.000 -0.015 0.000 0.853 275 D CB -0.280 40.516 40.800 -0.006 0.000 0.939 275 D HN 0.156 nan 8.370 nan 0.000 0.481 276 V N 1.022 120.921 119.914 -0.025 0.000 2.346 276 V HA -0.223 3.896 4.120 -0.001 0.000 0.244 276 V C 2.768 178.871 176.094 0.017 0.000 1.037 276 V CA 1.502 63.798 62.300 -0.006 0.000 1.029 276 V CB -0.608 31.205 31.823 -0.018 0.000 0.663 276 V HN 0.143 nan 8.190 nan 0.000 0.454 277 Q N -0.186 119.569 119.800 -0.074 0.000 2.061 277 Q HA -0.204 4.135 4.340 -0.001 0.000 0.204 277 Q C 2.358 178.428 176.000 0.116 0.000 0.984 277 Q CA 2.190 57.947 55.803 -0.076 0.000 0.846 277 Q CB -0.493 28.021 28.738 -0.374 0.000 0.902 277 Q HN 0.590 nan 8.270 nan 0.000 0.421 278 T N 0.674 115.250 114.554 0.037 0.000 2.708 278 T HA -0.143 4.207 4.350 -0.001 0.000 0.266 278 T C 1.774 176.497 174.700 0.039 0.000 1.037 278 T CA 1.216 63.340 62.100 0.040 0.000 1.146 278 T CB -0.126 68.748 68.868 0.011 0.000 0.865 278 T HN 0.229 nan 8.240 nan 0.000 0.435 279 R N 0.197 120.716 120.500 0.030 0.000 2.092 279 R HA 0.105 4.445 4.340 -0.001 0.000 0.231 279 R C 2.467 178.792 176.300 0.042 0.000 1.119 279 R CA 0.842 56.953 56.100 0.017 0.000 0.970 279 R CB -0.413 29.891 30.300 0.008 0.000 0.864 279 R HN 0.351 nan 8.270 nan 0.000 0.440 280 L N 0.479 121.756 121.223 0.091 0.000 2.017 280 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 280 L C 2.348 179.248 176.870 0.051 0.000 1.073 280 L CA 1.229 56.128 54.840 0.098 0.000 0.745 280 L CB -0.380 41.801 42.059 0.203 0.000 0.894 280 L HN 0.199 nan 8.230 nan 0.000 0.432 281 L N -0.595 120.677 121.223 0.081 0.000 2.046 281 L HA -0.231 4.109 4.340 -0.001 0.000 0.208 281 L C 2.826 179.685 176.870 -0.019 0.000 1.077 281 L CA 1.305 56.148 54.840 0.006 0.000 0.747 281 L CB -0.637 41.454 42.059 0.053 0.000 0.896 281 L HN 0.272 nan 8.230 nan 0.000 0.432 282 A N -1.195 121.628 122.820 0.005 0.000 1.898 282 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 282 A C 2.515 180.113 177.584 0.023 0.000 1.181 282 A CA 1.870 53.910 52.037 0.004 0.000 0.620 282 A CB -0.702 18.288 19.000 -0.017 0.000 0.819 282 A HN 0.375 nan 8.150 nan 0.000 0.442 283 S N -0.566 115.144 115.700 0.017 0.000 2.382 283 S HA -0.102 4.367 4.470 -0.001 0.000 0.228 283 S C 1.800 176.429 174.600 0.048 0.000 1.027 283 S CA 1.621 59.836 58.200 0.025 0.000 0.991 283 S CB -0.445 62.766 63.200 0.018 0.000 0.823 283 S HN 0.485 nan 8.310 nan 0.000 0.469 284 I N -0.196 120.392 120.570 0.030 0.000 2.628 284 I HA 0.138 4.308 4.170 -0.001 0.000 0.255 284 I C 1.437 177.606 176.117 0.087 0.000 1.119 284 I CA 0.709 62.030 61.300 0.034 0.000 1.448 284 I CB 0.046 38.009 38.000 -0.061 0.000 1.133 284 I HN 0.225 nan 8.210 nan 0.000 0.438 285 L N -0.325 120.893 121.223 -0.009 0.000 2.858 285 L HA 0.247 4.586 4.340 -0.001 0.000 0.251 285 L C 0.521 177.364 176.870 -0.045 0.000 1.149 285 L CA 0.037 54.771 54.840 -0.176 0.000 0.955 285 L CB 0.486 42.299 42.059 -0.410 0.000 1.289 285 L HN 0.176 nan 8.230 nan 0.000 0.542 286 Q N 0.796 120.695 119.800 0.165 0.000 2.309 286 Q HA 0.246 4.586 4.340 -0.001 0.000 0.264 286 Q C 0.585 176.786 176.000 0.336 0.000 1.008 286 Q CA -0.148 55.773 55.803 0.196 0.000 0.853 286 Q CB 3.053 31.832 28.738 0.068 0.000 1.314 286 Q HN 0.213 nan 8.270 nan 0.000 0.448 287 I N 2.364 123.135 120.570 0.335 0.000 2.676 287 I HA -0.169 4.000 4.170 -0.001 0.000 0.259 287 I C 0.216 176.348 176.117 0.024 0.000 1.194 287 I CA 1.189 62.597 61.300 0.179 0.000 1.473 287 I CB 0.496 38.611 38.000 0.192 0.000 1.096 287 I HN 0.527 nan 8.210 nan 0.000 0.443 288 D N 1.148 121.575 120.400 0.046 0.000 2.402 288 D HA 0.059 4.698 4.640 -0.001 0.000 0.216 288 D C 0.047 176.352 176.300 0.007 0.000 1.128 288 D CA -0.049 53.959 54.000 0.013 0.000 0.833 288 D CB 0.307 41.119 40.800 0.020 0.000 0.971 288 D HN 0.226 nan 8.370 nan 0.000 0.503 289 K N 1.618 122.031 120.400 0.023 0.000 3.078 289 K HA -0.194 4.125 4.320 -0.001 0.000 0.261 289 K C -0.330 176.258 176.600 -0.020 0.000 0.947 289 K CA 0.488 56.781 56.287 0.011 0.000 0.702 289 K CB -1.034 31.466 32.500 -0.001 0.000 1.318 289 K HN 0.122 nan 8.250 nan 0.000 0.473 290 D N -0.102 120.287 120.400 -0.018 0.000 2.454 290 D HA 0.192 4.832 4.640 -0.001 0.000 0.225 290 D C -1.663 174.582 176.300 -0.092 0.000 1.081 290 D CA -2.674 51.292 54.000 -0.057 0.000 0.864 290 D CB 1.419 42.219 40.800 0.000 0.000 1.040 290 D HN -0.144 nan 8.370 nan 0.000 0.517 291 P HA -0.140 nan 4.420 nan 0.000 0.216 291 P C 0.622 177.857 177.300 -0.108 0.000 1.150 291 P CA 1.351 64.348 63.100 -0.172 0.000 0.843 291 P CB 0.059 31.601 31.700 -0.265 0.000 0.787 292 H N -1.304 117.772 119.070 0.011 0.000 2.518 292 H HA 0.022 4.578 4.556 -0.001 0.000 0.289 292 H C 1.388 176.720 175.328 0.007 0.000 1.051 292 H CA 0.660 56.712 56.048 0.008 0.000 1.280 292 H CB -0.252 29.514 29.762 0.007 0.000 1.380 292 H HN 0.132 nan 8.280 nan 0.000 0.566 293 K N 0.819 121.271 120.400 0.087 0.000 2.410 293 K HA 0.149 4.468 4.320 -0.001 0.000 0.200 293 K C -0.698 175.917 176.600 0.025 0.000 1.023 293 K CA -0.102 56.217 56.287 0.053 0.000 1.149 293 K CB 0.914 33.441 32.500 0.044 0.000 0.859 293 K HN 0.003 nan 8.250 nan 0.000 0.514 294 V N 0.998 120.925 119.914 0.023 0.000 2.581 294 V HA 0.188 4.308 4.120 -0.001 0.000 0.303 294 V C -0.735 175.372 176.094 0.021 0.000 1.041 294 V CA -0.919 61.387 62.300 0.010 0.000 0.907 294 V CB 1.822 33.649 31.823 0.006 0.000 0.994 294 V HN 0.026 nan 8.190 nan 0.000 0.442 295 D N 2.754 123.163 120.400 0.016 0.000 2.420 295 D HA 0.339 4.979 4.640 -0.001 0.000 0.255 295 D C 0.657 176.971 176.300 0.023 0.000 1.185 295 D CA -0.513 53.499 54.000 0.020 0.000 0.904 295 D CB 1.189 41.998 40.800 0.015 0.000 1.102 295 D HN 0.444 nan 8.370 nan 0.000 0.534 296 I N 0.559 121.143 120.570 0.023 0.000 3.001 296 I HA 0.002 4.172 4.170 -0.001 0.000 0.268 296 I C 1.646 177.771 176.117 0.013 0.000 1.267 296 I CA 0.416 61.731 61.300 0.026 0.000 1.472 296 I CB -0.133 37.870 38.000 0.005 0.000 1.089 296 I HN 0.000 nan 8.210 nan 0.000 0.468 297 K N 1.513 121.916 120.400 0.005 0.000 2.442 297 K HA -0.007 4.313 4.320 -0.001 0.000 0.198 297 K C 1.275 177.874 176.600 -0.003 0.000 1.042 297 K CA 0.698 56.981 56.287 -0.007 0.000 0.958 297 K CB -0.260 32.234 32.500 -0.009 0.000 0.766 297 K HN 0.425 nan 8.250 nan 0.000 0.474 298 K N 0.790 121.205 120.400 0.024 0.000 2.404 298 K HA 0.176 4.496 4.320 -0.001 0.000 0.194 298 K C 0.688 177.359 176.600 0.118 0.000 1.023 298 K CA -0.034 56.285 56.287 0.055 0.000 1.094 298 K CB 0.103 32.637 32.500 0.056 0.000 0.841 298 K HN 0.137 nan 8.250 nan 0.000 0.523 299 L N 1.512 122.789 121.223 0.091 0.000 2.426 299 L HA 0.053 4.393 4.340 -0.001 0.000 0.271 299 L C 0.013 176.961 176.870 0.131 0.000 1.169 299 L CA -0.190 54.739 54.840 0.149 0.000 0.836 299 L CB 0.146 42.275 42.059 0.116 0.000 1.112 299 L HN 0.070 nan 8.230 nan 0.000 0.465 300 H N 3.888 122.987 119.070 0.048 0.000 2.787 300 H HA 0.206 4.761 4.556 -0.001 0.000 0.275 300 H C 0.725 176.081 175.328 0.047 0.000 1.183 300 H CA -0.234 55.836 56.048 0.037 0.000 1.290 300 H CB 0.648 30.428 29.762 0.030 0.000 1.438 300 H HN 0.482 nan 8.280 nan 0.000 0.487 301 L N 0.880 122.145 121.223 0.071 0.000 2.275 301 L HA -0.106 4.234 4.340 -0.001 0.000 0.215 301 L C 1.207 178.118 176.870 0.068 0.000 1.119 301 L CA 0.914 55.791 54.840 0.061 0.000 0.790 301 L CB 0.115 42.179 42.059 0.008 0.000 0.919 301 L HN 0.531 nan 8.230 nan 0.000 0.443 302 D N 0.202 120.641 120.400 0.067 0.000 2.347 302 D HA 0.035 4.675 4.640 -0.001 0.000 0.213 302 D C 1.208 177.551 176.300 0.072 0.000 0.985 302 D CA 0.299 54.335 54.000 0.059 0.000 0.879 302 D CB 0.066 40.892 40.800 0.044 0.000 0.919 302 D HN 0.207 nan 8.370 nan 0.000 0.526 303 G N 1.198 110.059 108.800 0.102 0.000 2.559 303 G HA2 0.134 4.094 3.960 -0.001 0.000 0.235 303 G HA3 0.134 4.094 3.960 -0.001 0.000 0.235 303 G C 0.104 175.042 174.900 0.063 0.000 1.266 303 G CA -0.295 44.857 45.100 0.086 0.000 0.847 303 G HN 0.029 nan 8.290 nan 0.000 0.583 304 K N 0.921 121.339 120.400 0.031 0.000 2.154 304 K HA 0.509 4.829 4.320 -0.001 0.000 0.264 304 K C -0.288 176.326 176.600 0.022 0.000 1.008 304 K CA -0.851 55.447 56.287 0.018 0.000 0.937 304 K CB 1.418 33.909 32.500 -0.015 0.000 1.002 304 K HN 0.258 nan 8.250 nan 0.000 0.469 305 L N 2.865 124.109 121.223 0.036 0.000 2.305 305 L HA 0.481 4.821 4.340 -0.001 0.000 0.284 305 L C -1.096 175.801 176.870 0.045 0.000 1.013 305 L CA -0.628 54.243 54.840 0.053 0.000 0.819 305 L CB 1.015 43.130 42.059 0.094 0.000 1.227 305 L HN 0.767 nan 8.230 nan 0.000 0.417 306 R N 5.319 125.841 120.500 0.036 0.000 2.628 306 R HA 0.667 5.006 4.340 -0.001 0.000 0.288 306 R C -1.384 175.022 176.300 0.177 0.000 0.980 306 R CA -0.468 55.642 56.100 0.017 0.000 0.891 306 R CB 2.341 32.600 30.300 -0.067 0.000 1.188 306 R HN 0.527 nan 8.270 nan 0.000 0.450 307 F N -0.481 119.523 119.950 0.091 0.000 2.645 307 F HA 0.927 5.453 4.527 -0.001 0.000 0.310 307 F C -1.529 174.158 175.800 -0.187 0.000 1.102 307 F CA -1.335 56.659 58.000 -0.010 0.000 0.952 307 F CB 1.747 40.685 39.000 -0.103 0.000 1.326 307 F HN 0.548 nan 8.300 nan 0.000 0.456 308 A N 1.408 124.151 122.820 -0.129 0.000 2.455 308 A HA 0.774 5.093 4.320 -0.001 0.000 0.300 308 A C -0.980 176.659 177.584 0.091 0.000 1.040 308 A CA -0.230 51.644 52.037 -0.273 0.000 0.697 308 A CB 1.334 19.828 19.000 -0.844 0.000 1.265 308 A HN 1.482 nan 8.150 nan 0.000 0.407 309 S N 1.469 117.308 115.700 0.232 0.000 2.578 309 S HA 0.855 5.325 4.470 -0.001 0.000 0.301 309 S C -0.720 174.155 174.600 0.458 0.000 1.091 309 S CA -0.510 57.937 58.200 0.413 0.000 1.032 309 S CB 1.559 65.052 63.200 0.487 0.000 1.064 309 S HN 1.057 nan 8.310 nan 0.000 0.508 310 H N 0.979 120.296 119.070 0.411 0.000 3.086 310 H HA 0.276 4.831 4.556 -0.000 0.000 0.353 310 H C -0.951 174.499 175.328 0.204 0.000 1.134 310 H CA -0.429 55.792 56.048 0.289 0.000 1.248 310 H CB 1.852 31.724 29.762 0.184 0.000 1.878 310 H HN 1.021 nan 8.280 nan 0.000 0.527 311 E N 3.640 123.947 120.200 0.179 0.000 2.390 311 E HA 0.321 4.671 4.350 -0.001 0.000 0.261 311 E C -1.019 175.651 176.600 0.115 0.000 1.076 311 E CA -0.470 55.793 56.400 -0.229 0.000 0.905 311 E CB 1.103 30.510 29.700 -0.488 0.000 0.984 311 E HN 0.461 nan 8.360 nan 0.000 0.427 312 Y N -0.991 119.235 120.300 -0.124 0.000 2.562 312 Y HA 0.390 4.939 4.550 -0.000 0.000 0.345 312 Y C -1.278 174.613 175.900 -0.014 0.000 1.045 312 Y CA -1.751 56.310 58.100 -0.066 0.000 1.028 312 Y CB 1.487 39.873 38.460 -0.122 0.000 1.297 312 Y HN 0.463 nan 8.280 nan 0.000 0.463 313 D N 2.818 123.323 120.400 0.174 0.000 2.313 313 D HA 0.042 4.681 4.640 -0.001 0.000 0.239 313 D C 0.273 176.772 176.300 0.332 0.000 1.142 313 D CA -0.381 53.708 54.000 0.148 0.000 0.847 313 D CB 0.663 41.523 40.800 0.099 0.000 1.082 313 D HN 0.666 nan 8.370 nan 0.000 0.480 314 F N 4.719 124.792 119.950 0.204 0.000 2.161 314 F HA -0.123 4.404 4.527 -0.001 0.000 0.300 314 F C 2.153 178.104 175.800 0.251 0.000 1.089 314 F CA 1.294 59.509 58.000 0.359 0.000 1.282 314 F CB 0.151 39.302 39.000 0.251 0.000 1.010 314 F HN 0.362 nan 8.300 nan 0.000 0.485 315 R N 0.200 120.790 120.500 0.151 0.000 2.075 315 R HA -0.184 4.156 4.340 -0.001 0.000 0.232 315 R C 2.309 178.570 176.300 -0.065 0.000 1.126 315 R CA 1.595 57.698 56.100 0.004 0.000 0.963 315 R CB -0.609 29.738 30.300 0.079 0.000 0.858 315 R HN 0.329 nan 8.270 nan 0.000 0.435 316 Q N -0.551 119.258 119.800 0.015 0.000 2.084 316 Q HA -0.157 4.182 4.340 -0.001 0.000 0.202 316 Q C 1.717 177.712 176.000 -0.008 0.000 0.978 316 Q CA 1.814 57.622 55.803 0.007 0.000 0.844 316 Q CB -0.527 28.240 28.738 0.048 0.000 0.898 316 Q HN 0.411 nan 8.270 nan 0.000 0.426 317 F N 0.821 120.689 119.950 -0.137 0.000 2.171 317 F HA -0.157 4.370 4.527 -0.000 0.000 0.300 317 F C 1.801 177.437 175.800 -0.272 0.000 1.090 317 F CA 1.835 59.706 58.000 -0.215 0.000 1.293 317 F CB -0.466 38.382 39.000 -0.254 0.000 1.013 317 F HN 0.180 nan 8.300 nan 0.000 0.486 318 Q N 0.219 119.607 119.800 -0.687 0.000 2.050 318 Q HA -0.201 4.139 4.340 -0.001 0.000 0.202 318 Q C 2.356 178.123 176.000 -0.388 0.000 0.980 318 Q CA 2.059 57.446 55.803 -0.694 0.000 0.840 318 Q CB -0.241 28.181 28.738 -0.525 0.000 0.898 318 Q HN 0.452 nan 8.270 nan 0.000 0.424 319 R N 0.388 120.750 120.500 -0.229 0.000 2.105 319 R HA -0.114 4.225 4.340 -0.001 0.000 0.239 319 R C 1.911 178.153 176.300 -0.097 0.000 1.135 319 R CA 1.285 57.311 56.100 -0.124 0.000 0.967 319 R CB -0.275 29.982 30.300 -0.073 0.000 0.861 319 R HN 0.270 nan 8.270 nan 0.000 0.442 320 N N 1.037 119.664 118.700 -0.122 0.000 2.080 320 N HA -0.117 4.623 4.740 -0.001 0.000 0.189 320 N C 1.739 177.211 175.510 -0.063 0.000 1.036 320 N CA 1.637 54.645 53.050 -0.071 0.000 0.846 320 N CB -0.499 37.969 38.487 -0.032 0.000 1.015 320 N HN 0.214 nan 8.380 nan 0.000 0.423 321 A N 1.143 123.835 122.820 -0.215 0.000 1.933 321 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 321 A C 2.160 179.660 177.584 -0.139 0.000 1.175 321 A CA 1.373 53.279 52.037 -0.218 0.000 0.628 321 A CB -0.592 18.134 19.000 -0.456 0.000 0.814 321 A HN 0.366 nan 8.150 nan 0.000 0.444 322 Q N -1.817 117.900 119.800 -0.139 0.000 2.020 322 Q HA -0.222 4.117 4.340 -0.001 0.000 0.202 322 Q C 2.016 177.995 176.000 -0.034 0.000 0.982 322 Q CA 1.891 57.641 55.803 -0.089 0.000 0.838 322 Q CB -0.490 28.199 28.738 -0.081 0.000 0.899 322 Q HN 0.826 nan 8.270 nan 0.000 0.423 323 Y N 1.231 121.467 120.300 -0.106 0.000 2.002 323 Y HA -0.370 4.180 4.550 -0.000 0.000 0.268 323 Y C 2.131 177.980 175.900 -0.085 0.000 1.177 323 Y CA 1.987 60.038 58.100 -0.082 0.000 1.111 323 Y CB -0.565 37.851 38.460 -0.073 0.000 0.952 323 Y HN -0.118 nan 8.280 nan 0.000 0.491 324 V N 0.635 120.602 119.914 0.089 0.000 2.255 324 V HA -0.362 3.757 4.120 -0.001 0.000 0.247 324 V C 2.672 178.677 176.094 -0.148 0.000 1.051 324 V CA 2.170 64.445 62.300 -0.042 0.000 1.018 324 V CB -1.676 30.148 31.823 0.001 0.000 0.641 324 V HN 0.631 nan 8.190 nan 0.000 0.445 325 A N 0.201 122.950 122.820 -0.117 0.000 2.121 325 A HA 0.035 4.355 4.320 -0.001 0.000 0.218 325 A C 2.054 179.565 177.584 -0.122 0.000 1.154 325 A CA 1.374 53.345 52.037 -0.111 0.000 0.679 325 A CB -0.705 18.240 19.000 -0.092 0.000 0.795 325 A HN 0.589 nan 8.150 nan 0.000 0.458 326 G N -0.738 107.968 108.800 -0.158 0.000 3.314 326 G HA2 0.431 4.391 3.960 -0.001 0.000 0.238 326 G HA3 0.431 4.391 3.960 -0.001 0.000 0.238 326 G C 0.344 175.130 174.900 -0.190 0.000 1.184 326 G CA -0.234 44.773 45.100 -0.156 0.000 0.806 326 G HN 0.363 nan 8.290 nan 0.000 0.536 327 L N 0.000 121.103 121.223 -0.200 0.000 2.949 327 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 327 L CA 0.000 54.726 54.840 -0.190 0.000 0.813 327 L CB 0.000 41.921 42.059 -0.230 0.000 0.961 327 L HN 0.000 nan 8.230 nan 0.000 0.502