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 3b4u_1_A DATA FIRST_RESID 4 DATA SEQUENCE KFGLSAALTT PFKTDGTVDI DAMIAHARRC LSNGCDSVTL FGTTGEGCSV DATA SEQUENCE GSRERQAILS SFIAAGIAPS RIVTGVLVDS IEDAADQSAE ALNAGARNIL DATA SEQUENCE LAPPSYFKNV SDDGLFAWFS AVFSKIGKDA RDILVYNIPS VTMVTLSVEL DATA SEQUENCE VGRLKAAFPG IVTGVKDSSG NWSHTERLLK EHGDLAILIG DERDLARGVR DATA SEQUENCE LGGQGAISGV ANFLTQEVRA MAVDGKDDPR IVDLVVELLK FPVTPAVKVL DATA SEQUENCE VSHTTGETIW SDVRAPLVAI SPEDRRQIEG AFDALFR 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.653 176.600 0.089 0.000 0.988 4 K CA 0.000 56.330 56.287 0.072 0.000 0.838 4 K CB 0.000 32.544 32.500 0.073 0.000 1.064 5 F N 1.805 121.751 119.950 -0.007 0.000 2.091 5 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 5 F C 1.249 177.039 175.800 -0.016 0.000 1.103 5 F CA 3.157 61.149 58.000 -0.013 0.000 1.228 5 F CB -0.109 38.883 39.000 -0.013 0.000 0.984 5 F HN 0.973 nan 8.300 nan 0.000 0.477 6 G N 0.083 108.976 108.800 0.156 0.000 2.498 6 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.251 6 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.251 6 G C -1.200 173.764 174.900 0.107 0.000 1.170 6 G CA -0.149 44.978 45.100 0.045 0.000 0.944 6 G HN 0.662 nan 8.290 nan 0.000 0.567 7 L N 0.904 122.115 121.223 -0.021 0.000 2.296 7 L HA 0.808 5.148 4.340 -0.000 0.000 0.286 7 L C 0.280 177.118 176.870 -0.053 0.000 1.023 7 L CA 0.104 54.952 54.840 0.013 0.000 0.812 7 L CB 1.713 43.761 42.059 -0.018 0.000 1.223 7 L HN 1.050 nan 8.230 nan 0.000 0.421 8 S N 3.885 119.620 115.700 0.058 0.000 2.502 8 S HA 0.854 5.324 4.470 -0.000 0.000 0.304 8 S C -0.361 174.243 174.600 0.008 0.000 1.097 8 S CA -0.406 57.801 58.200 0.012 0.000 1.045 8 S CB 1.157 64.447 63.200 0.150 0.000 1.019 8 S HN 0.983 nan 8.310 nan 0.000 0.481 9 A N 3.492 126.283 122.820 -0.047 0.000 2.450 9 A HA 0.601 4.921 4.320 -0.000 0.000 0.255 9 A C 0.637 178.203 177.584 -0.030 0.000 1.096 9 A CA -0.044 51.960 52.037 -0.056 0.000 0.778 9 A CB -0.035 18.903 19.000 -0.104 0.000 1.031 9 A HN 1.269 nan 8.150 nan 0.000 0.494 10 A N 3.353 126.167 122.820 -0.010 0.000 2.906 10 A HA 0.435 4.755 4.320 -0.000 0.000 0.289 10 A C 0.166 177.763 177.584 0.021 0.000 1.675 10 A CA -0.278 51.762 52.037 0.005 0.000 1.372 10 A CB -0.896 18.123 19.000 0.031 0.000 1.091 10 A HN 0.953 nan 8.150 nan 0.000 0.579 11 L N 3.098 124.319 121.223 -0.002 0.000 2.499 11 L HA 0.188 4.528 4.340 -0.000 0.000 0.273 11 L C 1.210 178.138 176.870 0.097 0.000 1.195 11 L CA 0.699 55.568 54.840 0.048 0.000 0.882 11 L CB 0.503 42.574 42.059 0.020 0.000 1.133 11 L HN 0.700 nan 8.230 nan 0.000 0.483 12 T N 0.855 115.488 114.554 0.132 0.000 2.900 12 T HA 0.242 4.592 4.350 -0.000 0.000 0.307 12 T C 0.221 175.086 174.700 0.275 0.000 1.065 12 T CA -0.677 61.509 62.100 0.144 0.000 1.105 12 T CB 0.317 69.179 68.868 -0.010 0.000 0.979 12 T HN 0.663 nan 8.240 nan 0.000 0.544 13 T N 5.017 119.676 114.554 0.176 0.000 2.772 13 T HA 0.479 4.829 4.350 -0.000 0.000 0.288 13 T C -2.526 171.911 174.700 -0.438 0.000 0.994 13 T CA -1.114 60.956 62.100 -0.051 0.000 0.951 13 T CB 1.242 70.040 68.868 -0.117 0.000 0.933 13 T HN 0.547 nan 8.240 nan 0.000 0.447 14 P HA 0.533 nan 4.420 nan 0.000 0.288 14 P C -1.210 175.615 177.300 -0.792 0.000 1.267 14 P CA -0.652 61.969 63.100 -0.798 0.000 0.815 14 P CB 0.688 31.690 31.700 -1.163 0.000 0.989 15 F N 0.948 120.805 119.950 -0.155 0.000 2.508 15 F HA 0.453 4.980 4.527 -0.000 0.000 0.325 15 F C 1.204 176.934 175.800 -0.117 0.000 1.090 15 F CA -0.867 57.078 58.000 -0.090 0.000 0.945 15 F CB 1.603 40.580 39.000 -0.038 0.000 1.156 15 F HN 0.042 nan 8.300 nan 0.000 0.463 16 K N 0.311 120.774 120.400 0.105 0.000 2.118 16 K HA 0.223 4.543 4.320 -0.000 0.000 0.240 16 K C 0.886 177.509 176.600 0.038 0.000 1.035 16 K CA -0.247 56.055 56.287 0.026 0.000 0.899 16 K CB 0.478 32.988 32.500 0.016 0.000 1.085 16 K HN 0.634 nan 8.250 nan 0.000 0.498 17 T N 1.266 115.824 114.554 0.006 0.000 2.788 17 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 17 T C 1.243 175.943 174.700 0.000 0.000 1.044 17 T CA 1.908 64.009 62.100 0.002 0.000 1.139 17 T CB -0.346 68.518 68.868 -0.008 0.000 0.867 17 T HN 0.740 nan 8.240 nan 0.000 0.454 18 D N 0.579 120.980 120.400 0.003 0.000 2.371 18 D HA 0.126 4.766 4.640 -0.000 0.000 0.221 18 D C 1.574 177.871 176.300 -0.005 0.000 0.986 18 D CA 0.947 54.946 54.000 -0.002 0.000 0.899 18 D CB -0.673 40.127 40.800 0.000 0.000 0.902 18 D HN 0.492 nan 8.370 nan 0.000 0.530 19 G N -0.281 108.524 108.800 0.009 0.000 2.213 19 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.236 19 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.236 19 G C 0.564 175.494 174.900 0.049 0.000 0.991 19 G CA 0.460 45.546 45.100 -0.023 0.000 0.629 19 G HN 0.813 nan 8.290 nan 0.000 0.517 20 T N -0.827 113.778 114.554 0.085 0.000 2.802 20 T HA 0.551 4.901 4.350 -0.000 0.000 0.305 20 T C 0.663 175.501 174.700 0.229 0.000 1.053 20 T CA -0.024 62.153 62.100 0.128 0.000 1.058 20 T CB 2.077 70.989 68.868 0.073 0.000 0.988 20 T HN 0.853 nan 8.240 nan 0.000 0.539 21 V N 2.337 122.385 119.914 0.223 0.000 2.555 21 V HA 0.127 4.247 4.120 -0.000 0.000 0.286 21 V C 0.823 176.940 176.094 0.039 0.000 1.044 21 V CA -0.298 62.092 62.300 0.149 0.000 1.026 21 V CB 0.822 32.734 31.823 0.147 0.000 0.981 21 V HN 0.968 nan 8.190 nan 0.000 0.480 22 D N 4.151 124.514 120.400 -0.062 0.000 2.483 22 D HA 0.070 4.710 4.640 -0.000 0.000 0.220 22 D C 0.794 177.056 176.300 -0.063 0.000 1.173 22 D CA -0.275 53.672 54.000 -0.087 0.000 0.964 22 D CB 0.733 41.424 40.800 -0.181 0.000 1.046 22 D HN 0.453 nan 8.370 nan 0.000 0.517 23 I N 3.013 123.580 120.570 -0.004 0.000 2.286 23 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 23 I C 1.322 177.426 176.117 -0.022 0.000 1.115 23 I CA 1.357 62.675 61.300 0.031 0.000 1.392 23 I CB 0.040 38.076 38.000 0.061 0.000 1.065 23 I HN 0.198 nan 8.210 nan 0.000 0.418 24 D N 0.989 121.365 120.400 -0.040 0.000 2.092 24 D HA -0.185 4.455 4.640 -0.000 0.000 0.193 24 D C 2.262 178.534 176.300 -0.047 0.000 0.994 24 D CA 1.812 55.779 54.000 -0.054 0.000 0.828 24 D CB -0.522 40.251 40.800 -0.045 0.000 0.963 24 D HN 0.471 nan 8.370 nan 0.000 0.450 25 A N 0.531 123.315 122.820 -0.060 0.000 1.933 25 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 25 A C 2.198 179.834 177.584 0.086 0.000 1.175 25 A CA 1.513 53.521 52.037 -0.048 0.000 0.628 25 A CB -0.582 18.277 19.000 -0.236 0.000 0.814 25 A HN 0.220 nan 8.150 nan 0.000 0.444 26 M N -0.632 119.009 119.600 0.069 0.000 2.099 26 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 26 M C 1.911 178.312 176.300 0.168 0.000 1.067 26 M CA 1.711 57.158 55.300 0.246 0.000 1.124 26 M CB -0.252 32.498 32.600 0.250 0.000 1.353 26 M HN 0.429 nan 8.290 nan 0.000 0.410 27 I N 0.060 120.548 120.570 -0.137 0.000 2.315 27 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 27 I C 2.569 178.594 176.117 -0.153 0.000 1.117 27 I CA 1.078 62.113 61.300 -0.441 0.000 1.404 27 I CB -0.595 37.077 38.000 -0.547 0.000 1.071 27 I HN 0.349 nan 8.210 nan 0.000 0.419 28 A N 0.148 122.952 122.820 -0.026 0.000 1.933 28 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 28 A C 2.197 179.849 177.584 0.114 0.000 1.175 28 A CA 2.098 54.156 52.037 0.035 0.000 0.628 28 A CB -0.905 18.131 19.000 0.060 0.000 0.814 28 A HN 0.511 nan 8.150 nan 0.000 0.444 29 H N 0.027 119.167 119.070 0.117 0.000 2.357 29 H HA 0.102 4.658 4.556 -0.000 0.000 0.301 29 H C 2.151 177.511 175.328 0.053 0.000 1.082 29 H CA 1.682 57.803 56.048 0.121 0.000 1.342 29 H CB -0.341 29.578 29.762 0.262 0.000 1.389 29 H HN 0.365 nan 8.280 nan 0.000 0.511 30 A N 1.014 123.833 122.820 -0.001 0.000 1.908 30 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 30 A C 2.464 179.999 177.584 -0.081 0.000 1.181 30 A CA 1.661 53.675 52.037 -0.038 0.000 0.627 30 A CB -0.470 18.649 19.000 0.198 0.000 0.818 30 A HN 0.483 nan 8.150 nan 0.000 0.445 31 R N -1.062 119.398 120.500 -0.066 0.000 2.081 31 R HA -0.122 4.218 4.340 -0.000 0.000 0.235 31 R C 2.533 178.792 176.300 -0.067 0.000 1.131 31 R CA 1.475 57.538 56.100 -0.061 0.000 0.960 31 R CB -0.333 29.934 30.300 -0.054 0.000 0.856 31 R HN 0.630 nan 8.270 nan 0.000 0.436 32 R N 0.575 121.033 120.500 -0.069 0.000 2.083 32 R HA -0.165 4.175 4.340 -0.000 0.000 0.237 32 R C 2.167 178.395 176.300 -0.120 0.000 1.137 32 R CA 1.995 58.053 56.100 -0.071 0.000 0.951 32 R CB -0.407 29.876 30.300 -0.028 0.000 0.851 32 R HN 0.233 nan 8.270 nan 0.000 0.434 33 C N 0.600 119.773 119.300 -0.213 0.000 2.429 33 C HA -0.038 4.422 4.460 -0.000 0.000 0.277 33 C C 2.626 177.535 174.990 -0.135 0.000 1.262 33 C CA 0.511 59.402 59.018 -0.212 0.000 1.733 33 C CB -0.952 26.601 27.740 -0.311 0.000 2.010 33 C HN 0.520 nan 8.230 nan 0.000 0.483 34 L N 1.648 122.803 121.223 -0.113 0.000 2.012 34 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 34 L C 2.805 179.634 176.870 -0.070 0.000 1.073 34 L CA 2.148 56.938 54.840 -0.083 0.000 0.748 34 L CB -0.848 41.172 42.059 -0.064 0.000 0.891 34 L HN 0.491 nan 8.230 nan 0.000 0.431 35 S N -0.505 115.157 115.700 -0.063 0.000 2.399 35 S HA -0.138 4.332 4.470 -0.000 0.000 0.231 35 S C 1.584 176.156 174.600 -0.047 0.000 1.022 35 S CA 1.278 59.449 58.200 -0.048 0.000 0.983 35 S CB -0.403 62.773 63.200 -0.039 0.000 0.803 35 S HN 0.412 nan 8.310 nan 0.000 0.480 36 N N 1.248 119.914 118.700 -0.057 0.000 2.322 36 N HA 0.286 5.026 4.740 -0.000 0.000 0.194 36 N C 1.055 176.532 175.510 -0.055 0.000 1.126 36 N CA 0.764 53.783 53.050 -0.052 0.000 0.845 36 N CB 0.712 39.166 38.487 -0.056 0.000 0.976 36 N HN 0.712 nan 8.380 nan 0.000 0.475 37 G N -0.897 107.867 108.800 -0.060 0.000 2.273 37 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.162 37 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.162 37 G C -0.046 174.812 174.900 -0.069 0.000 1.006 37 G CA -0.518 44.547 45.100 -0.058 0.000 0.704 37 G HN 0.296 nan 8.290 nan 0.000 0.487 38 C N 1.980 121.229 119.300 -0.084 0.000 2.593 38 C HA 0.404 4.864 4.460 -0.000 0.000 0.409 38 C C 1.615 176.541 174.990 -0.107 0.000 1.304 38 C CA -0.090 58.870 59.018 -0.096 0.000 2.007 38 C CB 0.674 28.350 27.740 -0.107 0.000 2.614 38 C HN 0.470 nan 8.230 nan 0.000 0.585 39 D N 0.861 121.179 120.400 -0.136 0.000 2.224 39 D HA -0.031 4.609 4.640 -0.000 0.000 0.205 39 D C 0.959 177.144 176.300 -0.192 0.000 0.965 39 D CA 1.245 55.144 54.000 -0.169 0.000 0.852 39 D CB 0.288 40.953 40.800 -0.225 0.000 0.947 39 D HN 0.747 nan 8.370 nan 0.000 0.494 40 S N -0.758 114.820 115.700 -0.203 0.000 2.643 40 S HA 0.515 4.985 4.470 -0.000 0.000 0.270 40 S C -0.871 173.655 174.600 -0.123 0.000 1.166 40 S CA -0.951 57.143 58.200 -0.176 0.000 0.815 40 S CB 2.207 65.248 63.200 -0.266 0.000 1.139 40 S HN -0.050 nan 8.310 nan 0.000 0.472 41 V N -1.285 118.573 119.914 -0.093 0.000 2.604 41 V HA 0.844 4.964 4.120 -0.000 0.000 0.305 41 V C -0.571 175.456 176.094 -0.112 0.000 1.043 41 V CA -0.455 61.794 62.300 -0.086 0.000 0.888 41 V CB 1.263 33.055 31.823 -0.052 0.000 0.995 41 V HN 0.938 nan 8.190 nan 0.000 0.429 42 T N 6.651 121.145 114.554 -0.101 0.000 2.743 42 T HA 0.620 4.970 4.350 -0.000 0.000 0.292 42 T C -0.165 174.401 174.700 -0.224 0.000 0.972 42 T CA -0.204 61.822 62.100 -0.123 0.000 0.967 42 T CB 0.625 69.460 68.868 -0.053 0.000 0.926 42 T HN 0.624 nan 8.240 nan 0.000 0.459 43 L N 4.094 125.068 121.223 -0.415 0.000 2.325 43 L HA 0.471 4.811 4.340 -0.000 0.000 0.279 43 L C 0.025 176.528 176.870 -0.612 0.000 1.054 43 L CA -0.872 53.487 54.840 -0.803 0.000 0.804 43 L CB 0.348 41.476 42.059 -1.552 0.000 1.200 43 L HN 0.712 nan 8.230 nan 0.000 0.436 44 F N -0.289 119.658 119.950 -0.004 0.000 3.018 44 F HA -0.183 4.344 4.527 -0.000 0.000 0.287 44 F C 1.014 176.853 175.800 0.064 0.000 0.813 44 F CA 0.475 58.498 58.000 0.039 0.000 1.209 44 F CB -2.506 36.512 39.000 0.029 0.000 1.321 44 F HN 0.593 nan 8.300 nan 0.000 0.477 45 G N -0.214 108.673 108.800 0.144 0.000 2.510 45 G HA2 0.421 4.381 3.960 -0.000 0.000 0.280 45 G HA3 0.421 4.381 3.960 -0.000 0.000 0.280 45 G C 0.930 175.956 174.900 0.210 0.000 1.386 45 G CA 0.221 45.413 45.100 0.153 0.000 1.047 45 G HN 0.182 nan 8.290 nan 0.000 0.527 46 T N 0.138 114.850 114.554 0.264 0.000 2.684 46 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 46 T C 2.592 177.399 174.700 0.180 0.000 1.036 46 T CA 2.104 64.341 62.100 0.229 0.000 1.148 46 T CB -0.511 68.506 68.868 0.249 0.000 0.863 46 T HN 0.435 nan 8.240 nan 0.000 0.436 47 T N 0.975 115.626 114.554 0.162 0.000 2.962 47 T HA 0.031 4.381 4.350 -0.000 0.000 0.270 47 T C 2.005 176.791 174.700 0.144 0.000 1.088 47 T CA 1.044 63.228 62.100 0.140 0.000 1.127 47 T CB -0.434 68.505 68.868 0.117 0.000 0.883 47 T HN 0.514 nan 8.240 nan 0.000 0.493 48 G N 0.651 109.539 108.800 0.146 0.000 3.026 48 G HA2 0.127 4.087 3.960 -0.000 0.000 0.208 48 G HA3 0.127 4.087 3.960 -0.000 0.000 0.208 48 G C 0.173 175.208 174.900 0.225 0.000 1.169 48 G CA -0.248 44.948 45.100 0.160 0.000 0.788 48 G HN 0.571 nan 8.290 nan 0.000 0.533 49 E N -1.114 119.220 120.200 0.224 0.000 2.440 49 E HA -0.212 4.138 4.350 -0.000 0.000 0.246 49 E C 1.715 178.464 176.600 0.248 0.000 1.165 49 E CA -0.017 56.529 56.400 0.243 0.000 0.726 49 E CB -1.353 28.542 29.700 0.325 0.000 1.271 49 E HN 0.438 nan 8.360 nan 0.000 0.397 50 G N 0.401 109.348 108.800 0.244 0.000 2.432 50 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.219 50 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.219 50 G C 1.714 176.711 174.900 0.161 0.000 1.135 50 G CA 1.004 46.261 45.100 0.261 0.000 0.767 50 G HN 0.653 nan 8.290 nan 0.000 0.550 51 C N -0.149 119.234 119.300 0.138 0.000 2.410 51 C HA 0.091 4.551 4.460 -0.000 0.000 0.281 51 C C 2.779 177.809 174.990 0.067 0.000 1.318 51 C CA 0.891 59.962 59.018 0.088 0.000 1.776 51 C CB -0.948 26.839 27.740 0.078 0.000 1.942 51 C HN 0.231 nan 8.230 nan 0.000 0.508 52 S N 0.104 115.859 115.700 0.093 0.000 2.575 52 S HA 0.214 4.684 4.470 -0.000 0.000 0.215 52 S C 0.520 175.165 174.600 0.075 0.000 0.966 52 S CA -0.028 58.211 58.200 0.065 0.000 0.911 52 S CB 0.017 63.256 63.200 0.064 0.000 0.780 52 S HN 0.513 nan 8.310 nan 0.000 0.514 53 V N 2.722 122.695 119.914 0.099 0.000 2.432 53 V HA 0.497 4.617 4.120 -0.000 0.000 0.275 53 V C 1.035 177.114 176.094 -0.025 0.000 1.043 53 V CA -0.765 61.578 62.300 0.073 0.000 0.925 53 V CB 0.717 32.595 31.823 0.091 0.000 0.985 53 V HN 0.362 nan 8.190 nan 0.000 0.466 54 G N 3.299 112.085 108.800 -0.023 0.000 2.636 54 G HA2 0.229 4.189 3.960 -0.000 0.000 0.246 54 G HA3 0.229 4.189 3.960 -0.000 0.000 0.246 54 G C 1.025 175.871 174.900 -0.090 0.000 1.216 54 G CA -0.059 45.014 45.100 -0.044 0.000 0.854 54 G HN 0.714 nan 8.290 nan 0.000 0.572 55 S N 0.229 115.884 115.700 -0.075 0.000 2.423 55 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 55 S C 2.492 177.046 174.600 -0.078 0.000 1.014 55 S CA 0.666 58.814 58.200 -0.086 0.000 0.965 55 S CB -0.081 63.084 63.200 -0.057 0.000 0.785 55 S HN 0.501 nan 8.310 nan 0.000 0.495 56 R N 1.452 121.920 120.500 -0.053 0.000 2.080 56 R HA 0.164 4.504 4.340 -0.000 0.000 0.222 56 R C 2.055 178.335 176.300 -0.033 0.000 1.107 56 R CA 0.737 56.816 56.100 -0.035 0.000 0.980 56 R CB -0.878 29.412 30.300 -0.017 0.000 0.879 56 R HN 0.516 nan 8.270 nan 0.000 0.439 57 E N 1.242 121.423 120.200 -0.031 0.000 2.070 57 E HA -0.237 4.113 4.350 -0.000 0.000 0.197 57 E C 2.019 178.592 176.600 -0.044 0.000 1.004 57 E CA 1.747 58.143 56.400 -0.006 0.000 0.805 57 E CB -0.198 29.515 29.700 0.022 0.000 0.744 57 E HN 0.386 nan 8.360 nan 0.000 0.451 58 R N 1.002 121.379 120.500 -0.205 0.000 2.120 58 R HA -0.174 4.166 4.340 -0.000 0.000 0.234 58 R C 2.004 178.221 176.300 -0.139 0.000 1.123 58 R CA 1.450 57.274 56.100 -0.461 0.000 0.975 58 R CB -0.398 29.325 30.300 -0.960 0.000 0.866 58 R HN 0.218 nan 8.270 nan 0.000 0.446 59 Q N 0.852 120.608 119.800 -0.074 0.000 2.079 59 Q HA -0.050 4.290 4.340 -0.000 0.000 0.200 59 Q C 2.387 178.423 176.000 0.060 0.000 0.974 59 Q CA 1.631 57.438 55.803 0.006 0.000 0.840 59 Q CB -0.145 28.590 28.738 -0.005 0.000 0.898 59 Q HN 0.548 nan 8.270 nan 0.000 0.430 60 A N 0.875 123.731 122.820 0.060 0.000 1.898 60 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 60 A C 2.045 179.717 177.584 0.147 0.000 1.181 60 A CA 1.012 53.101 52.037 0.087 0.000 0.620 60 A CB -0.546 18.497 19.000 0.070 0.000 0.819 60 A HN 0.276 nan 8.150 nan 0.000 0.442 61 I N -0.859 119.829 120.570 0.198 0.000 2.179 61 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 61 I C 2.429 178.757 176.117 0.352 0.000 1.088 61 I CA 1.216 62.708 61.300 0.320 0.000 1.357 61 I CB -0.263 37.990 38.000 0.423 0.000 1.051 61 I HN 0.393 nan 8.210 nan 0.000 0.409 62 L N 0.236 121.635 121.223 0.294 0.000 2.046 62 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 62 L C 2.570 179.562 176.870 0.202 0.000 1.077 62 L CA 1.869 56.836 54.840 0.213 0.000 0.747 62 L CB -0.647 41.532 42.059 0.200 0.000 0.896 62 L HN 0.072 nan 8.230 nan 0.000 0.432 63 S N -0.767 115.030 115.700 0.161 0.000 2.370 63 S HA -0.180 4.290 4.470 -0.000 0.000 0.226 63 S C 1.998 176.682 174.600 0.140 0.000 1.033 63 S CA 1.491 59.766 58.200 0.125 0.000 1.011 63 S CB -0.383 62.871 63.200 0.089 0.000 0.852 63 S HN 0.581 nan 8.310 nan 0.000 0.457 64 S N 0.899 116.701 115.700 0.170 0.000 2.368 64 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 64 S C 1.521 176.203 174.600 0.136 0.000 1.030 64 S CA 1.010 59.292 58.200 0.137 0.000 0.999 64 S CB -0.427 62.855 63.200 0.135 0.000 0.844 64 S HN 0.422 nan 8.310 nan 0.000 0.459 65 F N 1.620 121.594 119.950 0.040 0.000 2.095 65 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 65 F C 2.054 177.862 175.800 0.015 0.000 1.104 65 F CA 0.985 58.998 58.000 0.022 0.000 1.232 65 F CB -0.501 38.507 39.000 0.013 0.000 0.987 65 F HN 0.155 nan 8.300 nan 0.000 0.475 66 I N -0.719 119.977 120.570 0.211 0.000 2.252 66 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 66 I C 2.512 178.668 176.117 0.065 0.000 1.102 66 I CA 1.130 62.501 61.300 0.118 0.000 1.385 66 I CB -0.726 37.335 38.000 0.101 0.000 1.064 66 I HN 0.079 nan 8.210 nan 0.000 0.414 67 A N 0.615 123.471 122.820 0.059 0.000 2.015 67 A HA -0.025 4.295 4.320 -0.000 0.000 0.219 67 A C 2.376 179.963 177.584 0.005 0.000 1.163 67 A CA 1.521 53.576 52.037 0.030 0.000 0.646 67 A CB -0.560 18.459 19.000 0.032 0.000 0.806 67 A HN 0.422 nan 8.150 nan 0.000 0.448 68 A N -1.879 120.933 122.820 -0.013 0.000 2.208 68 A HA 0.405 4.725 4.320 -0.000 0.000 0.209 68 A C 1.753 179.312 177.584 -0.042 0.000 1.161 68 A CA 1.240 53.247 52.037 -0.051 0.000 0.782 68 A CB -0.732 18.195 19.000 -0.122 0.000 0.816 68 A HN 1.812 nan 8.150 nan 0.000 0.477 69 G N -1.038 107.753 108.800 -0.015 0.000 2.144 69 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 69 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 69 G C -0.044 174.855 174.900 -0.003 0.000 0.988 69 G CA -0.029 45.066 45.100 -0.008 0.000 0.659 69 G HN 0.290 nan 8.290 nan 0.000 0.522 70 I N 1.847 122.423 120.570 0.009 0.000 2.517 70 I HA 0.454 4.624 4.170 -0.000 0.000 0.285 70 I C 1.329 177.480 176.117 0.057 0.000 1.106 70 I CA -0.291 61.035 61.300 0.043 0.000 1.402 70 I CB 0.281 38.355 38.000 0.124 0.000 1.399 70 I HN 0.441 nan 8.210 nan 0.000 0.535 71 A N 9.389 132.227 122.820 0.030 0.000 2.524 71 A HA 0.252 4.572 4.320 -0.000 0.000 0.250 71 A C -1.254 176.346 177.584 0.026 0.000 1.078 71 A CA -0.783 51.266 52.037 0.020 0.000 0.761 71 A CB -0.309 18.691 19.000 -0.001 0.000 1.012 71 A HN 0.568 nan 8.150 nan 0.000 0.500 72 P HA -0.192 nan 4.420 nan 0.000 0.217 72 P C 1.588 178.889 177.300 0.001 0.000 1.148 72 P CA 1.969 65.082 63.100 0.021 0.000 0.828 72 P CB 0.055 31.768 31.700 0.022 0.000 0.783 73 S N -1.187 114.509 115.700 -0.008 0.000 2.547 73 S HA -0.046 4.424 4.470 -0.000 0.000 0.235 73 S C 1.498 176.069 174.600 -0.048 0.000 0.980 73 S CA 0.536 58.722 58.200 -0.024 0.000 0.941 73 S CB -0.743 62.443 63.200 -0.024 0.000 0.763 73 S HN 0.163 nan 8.310 nan 0.000 0.532 74 R N 0.244 120.719 120.500 -0.042 0.000 2.507 74 R HA 0.487 4.827 4.340 -0.000 0.000 0.298 74 R C -0.646 175.620 176.300 -0.058 0.000 0.999 74 R CA -0.036 56.025 56.100 -0.065 0.000 1.082 74 R CB 0.260 30.531 30.300 -0.050 0.000 1.246 74 R HN 0.431 nan 8.270 nan 0.000 0.553 75 I N 0.840 121.381 120.570 -0.048 0.000 2.436 75 I HA 0.302 4.472 4.170 -0.000 0.000 0.289 75 I C -0.522 175.560 176.117 -0.059 0.000 1.010 75 I CA -1.100 60.156 61.300 -0.074 0.000 1.098 75 I CB 2.303 40.258 38.000 -0.075 0.000 1.266 75 I HN -0.268 nan 8.210 nan 0.000 0.434 76 V N 4.080 123.954 119.914 -0.067 0.000 2.581 76 V HA 0.529 4.649 4.120 -0.000 0.000 0.303 76 V C 0.097 176.152 176.094 -0.066 0.000 1.041 76 V CA -0.495 61.796 62.300 -0.015 0.000 0.907 76 V CB 2.105 33.963 31.823 0.058 0.000 0.994 76 V HN 0.844 nan 8.190 nan 0.000 0.442 77 T N 0.702 115.256 114.554 0.000 0.000 2.792 77 T HA 0.659 5.008 4.350 -0.000 0.000 0.280 77 T C 0.178 174.950 174.700 0.120 0.000 0.990 77 T CA -0.428 61.708 62.100 0.061 0.000 0.960 77 T CB 1.369 70.338 68.868 0.170 0.000 0.939 77 T HN 0.957 nan 8.240 nan 0.000 0.439 78 G N 1.588 110.482 108.800 0.157 0.000 2.406 78 G HA2 0.509 4.469 3.960 -0.000 0.000 0.251 78 G HA3 0.509 4.469 3.960 -0.000 0.000 0.251 78 G C -0.731 174.302 174.900 0.222 0.000 1.271 78 G CA -0.515 44.688 45.100 0.172 0.000 0.859 78 G HN 0.855 nan 8.290 nan 0.000 0.540 79 V N 3.474 123.507 119.914 0.198 0.000 2.443 79 V HA 0.354 4.474 4.120 -0.000 0.000 0.293 79 V C 0.161 176.379 176.094 0.207 0.000 1.021 79 V CA -0.442 61.967 62.300 0.181 0.000 0.848 79 V CB 1.511 33.437 31.823 0.171 0.000 0.998 79 V HN 0.715 nan 8.190 nan 0.000 0.424 80 L N 6.136 127.457 121.223 0.164 0.000 3.193 80 L HA 0.398 4.738 4.340 -0.000 0.000 0.305 80 L C -0.038 176.885 176.870 0.088 0.000 1.299 80 L CA -0.215 54.710 54.840 0.142 0.000 0.904 80 L CB 1.089 43.236 42.059 0.147 0.000 1.331 80 L HN 0.582 nan 8.230 nan 0.000 0.588 81 V N -4.732 115.245 119.914 0.105 0.000 3.193 81 V HA 0.580 4.700 4.120 -0.000 0.000 0.320 81 V C 0.081 176.225 176.094 0.083 0.000 1.112 81 V CA -0.505 61.844 62.300 0.080 0.000 1.026 81 V CB 2.280 34.153 31.823 0.084 0.000 1.128 81 V HN 0.085 nan 8.190 nan 0.000 0.452 82 D N 0.303 120.738 120.400 0.058 0.000 2.441 82 D HA 0.160 4.800 4.640 -0.000 0.000 0.210 82 D C 0.817 177.223 176.300 0.176 0.000 1.102 82 D CA 0.789 54.797 54.000 0.014 0.000 0.840 82 D CB 0.798 41.553 40.800 -0.076 0.000 0.990 82 D HN 0.774 nan 8.370 nan 0.000 0.505 83 S N -0.349 115.480 115.700 0.215 0.000 2.593 83 S HA 0.437 4.907 4.470 -0.000 0.000 0.297 83 S C 1.257 175.951 174.600 0.156 0.000 1.112 83 S CA -0.721 57.600 58.200 0.202 0.000 1.043 83 S CB 1.930 65.160 63.200 0.051 0.000 1.054 83 S HN -0.106 nan 8.310 nan 0.000 0.516 84 I N 1.129 121.675 120.570 -0.040 0.000 2.226 84 I HA -0.167 4.003 4.170 -0.000 0.000 0.245 84 I C 2.802 178.778 176.117 -0.234 0.000 1.100 84 I CA 1.723 62.788 61.300 -0.392 0.000 1.374 84 I CB -0.281 37.464 38.000 -0.425 0.000 1.057 84 I HN 0.917 nan 8.210 nan 0.000 0.413 85 E N 1.010 121.138 120.200 -0.121 0.000 2.051 85 E HA -0.262 4.088 4.350 -0.000 0.000 0.192 85 E C 1.599 178.159 176.600 -0.066 0.000 0.991 85 E CA 1.760 58.107 56.400 -0.089 0.000 0.799 85 E CB 0.086 29.751 29.700 -0.058 0.000 0.748 85 E HN 0.409 nan 8.360 nan 0.000 0.449 86 D N 0.077 120.455 120.400 -0.037 0.000 2.149 86 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 86 D C 1.750 178.045 176.300 -0.008 0.000 0.972 86 D CA 1.221 55.211 54.000 -0.016 0.000 0.835 86 D CB -0.286 40.515 40.800 0.001 0.000 0.966 86 D HN 0.294 nan 8.370 nan 0.000 0.476 87 A N 0.908 123.723 122.820 -0.008 0.000 1.902 87 A HA -0.028 4.292 4.320 -0.000 0.000 0.217 87 A C 2.271 179.827 177.584 -0.047 0.000 1.181 87 A CA 2.098 54.135 52.037 0.001 0.000 0.623 87 A CB -0.733 18.246 19.000 -0.035 0.000 0.818 87 A HN 0.231 nan 8.150 nan 0.000 0.443 88 A N -0.121 122.633 122.820 -0.111 0.000 1.898 88 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 88 A C 1.789 179.350 177.584 -0.039 0.000 1.181 88 A CA 1.836 53.822 52.037 -0.084 0.000 0.620 88 A CB -0.553 18.375 19.000 -0.121 0.000 0.819 88 A HN 0.436 nan 8.150 nan 0.000 0.442 89 D N -0.281 120.097 120.400 -0.037 0.000 2.097 89 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 89 D C 2.257 178.553 176.300 -0.007 0.000 0.989 89 D CA 1.540 55.527 54.000 -0.022 0.000 0.827 89 D CB -0.418 40.368 40.800 -0.024 0.000 0.966 89 D HN 0.601 nan 8.370 nan 0.000 0.456 90 Q N 0.143 119.942 119.800 -0.001 0.000 2.079 90 Q HA -0.063 4.277 4.340 -0.000 0.000 0.200 90 Q C 2.318 178.338 176.000 0.033 0.000 0.974 90 Q CA 1.164 56.974 55.803 0.012 0.000 0.840 90 Q CB -0.032 28.716 28.738 0.016 0.000 0.898 90 Q HN 0.118 nan 8.270 nan 0.000 0.430 91 S N 0.849 116.572 115.700 0.039 0.000 2.355 91 S HA -0.137 4.333 4.470 -0.000 0.000 0.222 91 S C 2.093 176.713 174.600 0.034 0.000 1.031 91 S CA 1.000 59.231 58.200 0.051 0.000 0.993 91 S CB -0.276 62.962 63.200 0.063 0.000 0.859 91 S HN 0.492 nan 8.310 nan 0.000 0.453 92 A N 1.403 124.234 122.820 0.018 0.000 1.933 92 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 92 A C 2.034 179.627 177.584 0.015 0.000 1.175 92 A CA 1.788 53.831 52.037 0.011 0.000 0.628 92 A CB -0.617 18.384 19.000 0.001 0.000 0.814 92 A HN 0.617 nan 8.150 nan 0.000 0.444 93 E N -0.126 120.084 120.200 0.017 0.000 2.051 93 E HA -0.135 4.215 4.350 -0.000 0.000 0.192 93 E C 2.136 178.756 176.600 0.033 0.000 0.991 93 E CA 1.139 57.552 56.400 0.021 0.000 0.799 93 E CB -0.274 29.438 29.700 0.019 0.000 0.748 93 E HN 0.526 nan 8.360 nan 0.000 0.449 94 A N 0.986 123.832 122.820 0.043 0.000 1.898 94 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 94 A C 2.225 179.832 177.584 0.038 0.000 1.181 94 A CA 1.042 53.111 52.037 0.053 0.000 0.620 94 A CB -0.622 18.423 19.000 0.074 0.000 0.819 94 A HN 0.313 nan 8.150 nan 0.000 0.442 95 L N -0.049 121.192 121.223 0.030 0.000 2.046 95 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 95 L C 2.597 179.477 176.870 0.016 0.000 1.077 95 L CA 1.587 56.438 54.840 0.019 0.000 0.747 95 L CB -0.633 41.433 42.059 0.011 0.000 0.896 95 L HN 0.602 nan 8.230 nan 0.000 0.432 96 N N 0.657 119.367 118.700 0.017 0.000 2.223 96 N HA -0.160 4.580 4.740 -0.000 0.000 0.185 96 N C 1.649 177.170 175.510 0.019 0.000 1.016 96 N CA 1.211 54.270 53.050 0.015 0.000 0.863 96 N CB 0.187 38.682 38.487 0.014 0.000 0.983 96 N HN 0.312 nan 8.380 nan 0.000 0.429 97 A N -0.085 122.750 122.820 0.026 0.000 2.206 97 A HA 0.265 4.585 4.320 -0.000 0.000 0.211 97 A C 1.412 179.012 177.584 0.027 0.000 1.158 97 A CA 0.979 53.034 52.037 0.030 0.000 0.761 97 A CB -0.444 18.581 19.000 0.042 0.000 0.801 97 A HN 0.483 nan 8.150 nan 0.000 0.473 98 G N -2.056 106.757 108.800 0.021 0.000 2.131 98 G HA2 0.139 4.099 3.960 -0.000 0.000 0.223 98 G HA3 0.139 4.099 3.960 -0.000 0.000 0.223 98 G C 0.401 175.309 174.900 0.014 0.000 0.990 98 G CA 0.174 45.283 45.100 0.016 0.000 0.671 98 G HN 1.569 nan 8.290 nan 0.000 0.521 99 A N 0.029 122.860 122.820 0.018 0.000 2.531 99 A HA 0.557 4.877 4.320 -0.000 0.000 0.236 99 A C 1.510 179.102 177.584 0.013 0.000 1.062 99 A CA 1.267 53.313 52.037 0.014 0.000 0.760 99 A CB 0.139 19.152 19.000 0.022 0.000 0.995 99 A HN 0.627 nan 8.150 nan 0.000 0.501 100 R N 1.097 121.602 120.500 0.007 0.000 2.081 100 R HA -0.097 4.243 4.340 -0.000 0.000 0.235 100 R C -0.131 176.196 176.300 0.045 0.000 1.131 100 R CA 1.647 57.756 56.100 0.015 0.000 0.960 100 R CB -0.046 30.250 30.300 -0.008 0.000 0.856 100 R HN 0.895 nan 8.270 nan 0.000 0.436 101 N N -0.807 117.928 118.700 0.058 0.000 2.708 101 N HA 0.213 4.953 4.740 -0.000 0.000 0.257 101 N C -1.404 174.138 175.510 0.054 0.000 1.373 101 N CA -0.637 52.453 53.050 0.066 0.000 0.843 101 N CB 1.768 40.327 38.487 0.121 0.000 1.503 101 N HN -0.116 nan 8.380 nan 0.000 0.504 102 I N 1.701 122.301 120.570 0.049 0.000 2.359 102 I HA 0.295 4.465 4.170 -0.000 0.000 0.294 102 I C 0.044 176.196 176.117 0.058 0.000 0.987 102 I CA -0.596 60.744 61.300 0.067 0.000 1.225 102 I CB 0.986 39.039 38.000 0.089 0.000 1.366 102 I HN 0.394 nan 8.210 nan 0.000 0.466 103 L N 7.914 129.165 121.223 0.046 0.000 2.288 103 L HA 0.409 4.749 4.340 -0.000 0.000 0.283 103 L C -0.857 176.085 176.870 0.120 0.000 1.072 103 L CA -0.303 54.536 54.840 -0.003 0.000 0.862 103 L CB 0.668 42.637 42.059 -0.149 0.000 1.245 103 L HN 0.465 nan 8.230 nan 0.000 0.432 104 L N 5.465 126.818 121.223 0.217 0.000 2.262 104 L HA 0.757 5.097 4.340 -0.000 0.000 0.288 104 L C 0.194 177.336 176.870 0.454 0.000 1.035 104 L CA -0.141 54.910 54.840 0.352 0.000 0.820 104 L CB 0.999 43.316 42.059 0.430 0.000 1.204 104 L HN 0.710 nan 8.230 nan 0.000 0.424 105 A N 7.710 130.773 122.820 0.406 0.000 2.351 105 A HA 0.682 5.002 4.320 -0.000 0.000 0.257 105 A C -2.371 175.309 177.584 0.159 0.000 1.087 105 A CA -1.121 51.098 52.037 0.303 0.000 0.798 105 A CB -0.451 18.654 19.000 0.175 0.000 1.033 105 A HN 0.643 nan 8.150 nan 0.000 0.488 106 P HA 0.204 nan 4.420 nan 0.000 0.272 106 P C -2.698 174.216 177.300 -0.643 0.000 1.240 106 P CA -1.162 61.647 63.100 -0.484 0.000 0.791 106 P CB -0.399 31.168 31.700 -0.222 0.000 0.978 107 P HA 0.021 nan 4.420 nan 0.000 0.269 107 P C 0.173 177.254 177.300 -0.365 0.000 1.209 107 P CA 0.173 62.845 63.100 -0.714 0.000 0.776 107 P CB 0.284 31.413 31.700 -0.952 0.000 0.876 108 S N -0.027 115.558 115.700 -0.193 0.000 3.031 108 S HA 0.115 4.585 4.470 -0.000 0.000 0.253 108 S C 0.757 175.326 174.600 -0.052 0.000 0.996 108 S CA -0.370 57.761 58.200 -0.115 0.000 1.098 108 S CB -0.658 62.482 63.200 -0.100 0.000 1.042 108 S HN 0.423 nan 8.310 nan 0.000 0.593 109 Y N 1.897 122.085 120.300 -0.186 0.000 2.217 109 Y HA 0.500 5.050 4.550 -0.000 0.000 0.286 109 Y C 0.077 175.887 175.900 -0.150 0.000 1.117 109 Y CA -0.091 57.877 58.100 -0.219 0.000 1.113 109 Y CB -0.043 38.204 38.460 -0.356 0.000 1.053 109 Y HN 0.237 nan 8.280 nan 0.000 0.501 110 F N 3.136 123.115 119.950 0.049 0.000 2.563 110 F HA 0.151 4.677 4.527 -0.000 0.000 0.363 110 F C 0.384 176.122 175.800 -0.104 0.000 1.123 110 F CA -0.202 57.773 58.000 -0.042 0.000 1.307 110 F CB 0.177 39.185 39.000 0.013 0.000 1.115 110 F HN -0.033 nan 8.300 nan 0.000 0.592 111 K N 1.372 121.835 120.400 0.105 0.000 2.166 111 K HA 0.280 4.600 4.320 -0.000 0.000 0.245 111 K C -0.032 176.569 176.600 0.002 0.000 0.967 111 K CA -0.985 55.307 56.287 0.008 0.000 0.863 111 K CB 1.021 33.503 32.500 -0.031 0.000 1.107 111 K HN 0.594 nan 8.250 nan 0.000 0.436 112 N N -0.834 117.856 118.700 -0.016 0.000 2.725 112 N HA -0.189 4.551 4.740 -0.000 0.000 0.251 112 N C -0.107 175.391 175.510 -0.021 0.000 1.031 112 N CA 0.691 53.729 53.050 -0.020 0.000 0.720 112 N CB -1.383 37.091 38.487 -0.023 0.000 0.930 112 N HN 0.415 nan 8.380 nan 0.000 0.543 113 V N -2.086 117.819 119.914 -0.016 0.000 2.785 113 V HA 0.712 4.831 4.120 -0.000 0.000 0.300 113 V C 1.019 177.114 176.094 0.001 0.000 1.062 113 V CA -0.473 61.817 62.300 -0.017 0.000 1.029 113 V CB 1.832 33.643 31.823 -0.019 0.000 1.024 113 V HN 0.311 nan 8.190 nan 0.000 0.477 114 S N 1.162 116.869 115.700 0.011 0.000 2.617 114 S HA 0.275 4.745 4.470 -0.000 0.000 0.269 114 S C 0.509 175.151 174.600 0.070 0.000 1.292 114 S CA -0.096 58.124 58.200 0.033 0.000 1.010 114 S CB 1.204 64.421 63.200 0.029 0.000 0.944 114 S HN 0.784 nan 8.310 nan 0.000 0.536 115 D N 1.060 121.510 120.400 0.083 0.000 2.123 115 D HA -0.091 4.549 4.640 -0.000 0.000 0.196 115 D C 1.251 177.658 176.300 0.178 0.000 0.992 115 D CA 1.505 55.584 54.000 0.131 0.000 0.833 115 D CB -0.326 40.538 40.800 0.106 0.000 0.954 115 D HN 0.626 nan 8.370 nan 0.000 0.455 116 D N -0.414 120.066 120.400 0.133 0.000 2.117 116 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 116 D C 2.181 178.606 176.300 0.208 0.000 0.987 116 D CA 1.392 55.489 54.000 0.160 0.000 0.829 116 D CB -0.664 40.190 40.800 0.090 0.000 0.961 116 D HN 0.295 nan 8.370 nan 0.000 0.460 117 G N 0.490 109.375 108.800 0.142 0.000 2.408 117 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.217 117 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.217 117 G C 1.789 176.788 174.900 0.165 0.000 1.150 117 G CA 0.254 45.431 45.100 0.129 0.000 0.776 117 G HN 0.246 nan 8.290 nan 0.000 0.542 118 L N -0.835 120.492 121.223 0.174 0.000 2.056 118 L HA 0.042 4.382 4.340 -0.000 0.000 0.207 118 L C 2.530 179.632 176.870 0.387 0.000 1.078 118 L CA 0.929 55.894 54.840 0.208 0.000 0.749 118 L CB -0.458 41.748 42.059 0.244 0.000 0.901 118 L HN 0.231 nan 8.230 nan 0.000 0.433 119 F N 1.026 121.150 119.950 0.291 0.000 2.095 119 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 119 F C 2.439 178.402 175.800 0.271 0.000 1.104 119 F CA 1.434 59.625 58.000 0.318 0.000 1.232 119 F CB -0.247 38.884 39.000 0.218 0.000 0.987 119 F HN 0.002 nan 8.300 nan 0.000 0.475 120 A N -0.699 122.278 122.820 0.263 0.000 1.933 120 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 120 A C 2.071 179.656 177.584 0.001 0.000 1.175 120 A CA 1.485 53.600 52.037 0.129 0.000 0.628 120 A CB -1.740 17.368 19.000 0.181 0.000 0.814 120 A HN 0.752 nan 8.150 nan 0.000 0.444 121 W N -0.347 120.852 121.300 -0.167 0.000 2.378 121 W HA -0.124 4.536 4.660 -0.000 0.000 0.313 121 W C 1.746 177.977 176.519 -0.480 0.000 1.197 121 W CA 1.911 59.074 57.345 -0.304 0.000 1.304 121 W CB -0.427 28.814 29.460 -0.366 0.000 1.148 121 W HN 0.286 nan 8.180 nan 0.000 0.494 122 F N 0.277 120.125 119.950 -0.170 0.000 2.095 122 F HA -0.250 4.277 4.527 0.000 0.000 0.298 122 F C 2.961 177.904 175.800 -1.428 0.000 1.104 122 F CA 1.987 59.505 58.000 -0.804 0.000 1.232 122 F CB -1.557 37.126 39.000 -0.527 0.000 0.987 122 F HN -0.142 nan 8.300 nan 0.000 0.475 123 S N -0.204 115.057 115.700 -0.731 0.000 2.370 123 S HA -0.235 4.235 4.470 -0.000 0.000 0.226 123 S C 2.287 176.613 174.600 -0.457 0.000 1.033 123 S CA 1.299 59.161 58.200 -0.563 0.000 1.011 123 S CB -0.586 62.487 63.200 -0.212 0.000 0.852 123 S HN 0.320 nan 8.310 nan 0.000 0.457 124 A N 0.578 123.138 122.820 -0.434 0.000 1.930 124 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 124 A C 2.328 179.636 177.584 -0.460 0.000 1.175 124 A CA 1.594 53.413 52.037 -0.362 0.000 0.627 124 A CB -0.932 17.872 19.000 -0.327 0.000 0.815 124 A HN 0.449 nan 8.150 nan 0.000 0.443 125 V N -0.621 118.852 119.914 -0.736 0.000 2.287 125 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 125 V C 2.365 178.269 176.094 -0.317 0.000 1.053 125 V CA 2.145 64.056 62.300 -0.648 0.000 1.027 125 V CB -1.046 30.232 31.823 -0.907 0.000 0.646 125 V HN 0.556 nan 8.190 nan 0.000 0.447 126 F N 1.432 121.170 119.950 -0.353 0.000 2.186 126 F HA -0.142 4.385 4.527 0.000 0.000 0.299 126 F C 2.845 178.521 175.800 -0.206 0.000 1.090 126 F CA 1.240 59.049 58.000 -0.318 0.000 1.307 126 F CB -1.689 36.977 39.000 -0.556 0.000 1.019 126 F HN 0.327 nan 8.300 nan 0.000 0.489 127 S N 0.073 115.757 115.700 -0.027 0.000 2.368 127 S HA -0.247 4.223 4.470 -0.000 0.000 0.225 127 S C 2.070 176.652 174.600 -0.031 0.000 1.030 127 S CA 1.382 59.578 58.200 -0.007 0.000 0.999 127 S CB -0.477 62.711 63.200 -0.019 0.000 0.844 127 S HN 0.242 nan 8.310 nan 0.000 0.459 128 K N 1.460 121.812 120.400 -0.080 0.000 2.097 128 K HA 0.206 4.526 4.320 -0.000 0.000 0.205 128 K C 1.884 178.456 176.600 -0.047 0.000 1.050 128 K CA 1.292 57.534 56.287 -0.076 0.000 0.938 128 K CB -0.679 31.747 32.500 -0.125 0.000 0.718 128 K HN 0.553 nan 8.250 nan 0.000 0.442 129 I N -0.212 120.338 120.570 -0.034 0.000 2.226 129 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 129 I C 1.432 177.546 176.117 -0.005 0.000 1.100 129 I CA 1.053 62.347 61.300 -0.011 0.000 1.374 129 I CB -0.596 37.412 38.000 0.014 0.000 1.057 129 I HN 0.485 nan 8.210 nan 0.000 0.413 130 G N 1.259 110.060 108.800 0.003 0.000 2.545 130 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.216 130 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.216 130 G C 0.698 175.604 174.900 0.009 0.000 1.314 130 G CA 0.179 45.284 45.100 0.008 0.000 0.906 130 G HN 0.402 nan 8.290 nan 0.000 0.563 131 K N -0.300 120.105 120.400 0.009 0.000 2.280 131 K HA -0.014 4.306 4.320 -0.000 0.000 0.202 131 K C 1.311 177.910 176.600 -0.002 0.000 1.047 131 K CA 2.055 58.347 56.287 0.008 0.000 0.942 131 K CB -0.070 32.436 32.500 0.010 0.000 0.739 131 K HN 0.332 nan 8.250 nan 0.000 0.457 132 D N 1.704 122.101 120.400 -0.004 0.000 2.350 132 D HA 0.002 4.642 4.640 -0.000 0.000 0.216 132 D C 0.399 176.686 176.300 -0.022 0.000 0.968 132 D CA 0.718 54.713 54.000 -0.009 0.000 0.894 132 D CB -0.068 40.729 40.800 -0.004 0.000 0.909 132 D HN 0.428 nan 8.370 nan 0.000 0.520 133 A N 1.472 124.272 122.820 -0.033 0.000 2.540 133 A HA 0.317 4.637 4.320 -0.000 0.000 0.239 133 A C 0.660 178.184 177.584 -0.100 0.000 1.061 133 A CA 0.178 52.171 52.037 -0.073 0.000 0.758 133 A CB 0.038 18.975 19.000 -0.105 0.000 0.991 133 A HN 0.310 nan 8.150 nan 0.000 0.502 134 R N 0.933 121.367 120.500 -0.111 0.000 2.709 134 R HA 0.495 4.835 4.340 -0.000 0.000 0.270 134 R C -1.388 174.857 176.300 -0.092 0.000 1.038 134 R CA -0.601 55.441 56.100 -0.096 0.000 0.872 134 R CB 0.657 30.929 30.300 -0.048 0.000 1.259 134 R HN 0.427 nan 8.270 nan 0.000 0.473 135 D N 0.789 121.141 120.400 -0.080 0.000 2.800 135 D HA -0.118 4.522 4.640 -0.000 0.000 0.232 135 D C -0.369 175.907 176.300 -0.039 0.000 1.137 135 D CA 0.996 54.973 54.000 -0.038 0.000 0.718 135 D CB -0.640 40.158 40.800 -0.003 0.000 1.084 135 D HN 0.402 nan 8.370 nan 0.000 0.432 136 I N 0.898 121.414 120.570 -0.090 0.000 2.352 136 I HA 0.199 4.369 4.170 -0.000 0.000 0.290 136 I C 0.997 177.089 176.117 -0.041 0.000 1.036 136 I CA -0.389 60.879 61.300 -0.052 0.000 1.336 136 I CB 0.806 38.745 38.000 -0.103 0.000 1.407 136 I HN -0.050 nan 8.210 nan 0.000 0.497 137 L N 7.166 128.381 121.223 -0.013 0.000 2.265 137 L HA 0.402 4.742 4.340 -0.000 0.000 0.289 137 L C 0.180 177.062 176.870 0.020 0.000 1.033 137 L CA -0.945 53.868 54.840 -0.044 0.000 0.814 137 L CB 1.419 43.410 42.059 -0.113 0.000 1.203 137 L HN 0.413 nan 8.230 nan 0.000 0.423 138 V N 0.624 120.547 119.914 0.016 0.000 2.649 138 V HA 0.274 4.394 4.120 -0.000 0.000 0.292 138 V C -0.665 175.537 176.094 0.180 0.000 1.055 138 V CA -0.493 61.856 62.300 0.082 0.000 1.023 138 V CB 1.113 32.854 31.823 -0.136 0.000 0.992 138 V HN 0.521 nan 8.190 nan 0.000 0.480 139 Y N 4.707 125.072 120.300 0.108 0.000 2.369 139 Y HA 0.502 5.052 4.550 -0.000 0.000 0.337 139 Y C -0.020 175.928 175.900 0.081 0.000 0.961 139 Y CA -1.664 56.486 58.100 0.083 0.000 1.186 139 Y CB 1.052 39.570 38.460 0.096 0.000 1.139 139 Y HN 0.945 nan 8.280 nan 0.000 0.494 140 N N 6.685 125.523 118.700 0.230 0.000 2.589 140 N HA 0.251 4.991 4.740 -0.000 0.000 0.232 140 N C -1.136 174.339 175.510 -0.058 0.000 1.015 140 N CA -0.007 53.074 53.050 0.051 0.000 0.931 140 N CB -0.008 38.529 38.487 0.083 0.000 1.150 140 N HN 0.720 nan 8.380 nan 0.000 0.512 141 I N 5.337 125.766 120.570 -0.236 0.000 2.926 141 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 141 I C -1.848 174.156 176.117 -0.188 0.000 1.463 141 I CA -2.006 59.138 61.300 -0.259 0.000 0.892 141 I CB 1.293 38.971 38.000 -0.537 0.000 1.874 141 I HN 0.393 nan 8.210 nan 0.000 0.620 142 P HA -0.135 nan 4.420 nan 0.000 0.222 142 P C 1.445 178.695 177.300 -0.082 0.000 1.147 142 P CA 1.230 64.267 63.100 -0.105 0.000 0.790 142 P CB 0.045 31.686 31.700 -0.098 0.000 0.780 143 S N -1.402 114.258 115.700 -0.068 0.000 2.469 143 S HA -0.045 4.425 4.470 -0.000 0.000 0.238 143 S C 1.784 176.356 174.600 -0.047 0.000 0.998 143 S CA 0.984 59.158 58.200 -0.044 0.000 0.957 143 S CB -1.209 61.979 63.200 -0.021 0.000 0.764 143 S HN 0.028 nan 8.310 nan 0.000 0.514 144 V N 1.764 121.634 119.914 -0.073 0.000 2.743 144 V HA 0.019 4.139 4.120 -0.000 0.000 0.237 144 V C 2.873 178.916 176.094 -0.084 0.000 1.113 144 V CA 1.390 63.649 62.300 -0.069 0.000 1.141 144 V CB -0.663 31.115 31.823 -0.075 0.000 0.873 144 V HN 0.722 nan 8.190 nan 0.000 0.486 145 T N -2.504 111.978 114.554 -0.119 0.000 3.043 145 T HA -0.015 4.335 4.350 -0.000 0.000 0.263 145 T C 1.145 175.788 174.700 -0.095 0.000 1.094 145 T CA 0.706 62.738 62.100 -0.114 0.000 1.127 145 T CB -0.323 68.458 68.868 -0.145 0.000 0.905 145 T HN 0.282 nan 8.240 nan 0.000 0.490 146 M N 0.123 119.672 119.600 -0.086 0.000 2.576 146 M HA -0.128 4.352 4.480 -0.000 0.000 0.200 146 M C -1.053 175.206 176.300 -0.068 0.000 0.487 146 M CA 0.045 55.303 55.300 -0.071 0.000 0.553 146 M CB -1.901 30.662 32.600 -0.063 0.000 2.042 146 M HN 0.184 nan 8.290 nan 0.000 0.758 147 V N 0.050 119.917 119.914 -0.078 0.000 2.380 147 V HA 0.318 4.438 4.120 -0.000 0.000 0.286 147 V C 0.493 176.556 176.094 -0.051 0.000 1.015 147 V CA -0.498 61.764 62.300 -0.062 0.000 0.834 147 V CB 1.958 33.732 31.823 -0.082 0.000 1.009 147 V HN 0.248 nan 8.190 nan 0.000 0.428 148 T N 6.399 120.930 114.554 -0.039 0.000 2.817 148 T HA 0.507 4.857 4.350 -0.000 0.000 0.293 148 T C 0.058 174.770 174.700 0.021 0.000 0.964 148 T CA -0.164 61.910 62.100 -0.045 0.000 1.085 148 T CB 0.658 69.486 68.868 -0.067 0.000 0.921 148 T HN 0.376 nan 8.240 nan 0.000 0.502 149 L N 3.985 125.236 121.223 0.047 0.000 2.282 149 L HA 0.305 4.645 4.340 -0.000 0.000 0.287 149 L C 1.128 178.105 176.870 0.179 0.000 1.075 149 L CA -0.747 54.167 54.840 0.123 0.000 0.839 149 L CB 0.339 42.478 42.059 0.133 0.000 1.219 149 L HN 0.730 nan 8.230 nan 0.000 0.434 150 S N 1.854 117.654 115.700 0.167 0.000 2.584 150 S HA 0.149 4.619 4.470 -0.000 0.000 0.270 150 S C 1.334 176.047 174.600 0.188 0.000 1.346 150 S CA -0.883 57.441 58.200 0.206 0.000 1.018 150 S CB 1.630 64.908 63.200 0.131 0.000 0.899 150 S HN 0.292 nan 8.310 nan 0.000 0.542 151 V N 1.921 121.924 119.914 0.149 0.000 2.332 151 V HA -0.169 3.951 4.120 -0.000 0.000 0.248 151 V C 2.577 178.761 176.094 0.149 0.000 1.055 151 V CA 2.393 64.747 62.300 0.090 0.000 1.038 151 V CB -1.354 30.458 31.823 -0.019 0.000 0.651 151 V HN 0.871 nan 8.190 nan 0.000 0.450 152 E N 0.015 120.281 120.200 0.110 0.000 2.072 152 E HA -0.195 4.155 4.350 -0.000 0.000 0.191 152 E C 1.925 178.570 176.600 0.075 0.000 0.985 152 E CA 1.055 57.510 56.400 0.092 0.000 0.801 152 E CB -0.498 29.238 29.700 0.060 0.000 0.750 152 E HN 0.475 nan 8.360 nan 0.000 0.452 153 L N 0.181 121.460 121.223 0.093 0.000 2.046 153 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 153 L C 2.036 178.952 176.870 0.076 0.000 1.077 153 L CA 1.366 56.281 54.840 0.125 0.000 0.747 153 L CB -0.428 41.731 42.059 0.168 0.000 0.896 153 L HN 0.016 nan 8.230 nan 0.000 0.432 154 V N 0.380 120.287 119.914 -0.012 0.000 2.332 154 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 154 V C 2.647 178.531 176.094 -0.351 0.000 1.055 154 V CA 1.904 64.096 62.300 -0.179 0.000 1.038 154 V CB -1.752 29.932 31.823 -0.231 0.000 0.651 154 V HN 0.660 nan 8.190 nan 0.000 0.450 155 G N -0.304 108.274 108.800 -0.369 0.000 2.440 155 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.218 155 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.218 155 G C 1.739 176.617 174.900 -0.037 0.000 1.154 155 G CA 0.865 45.851 45.100 -0.191 0.000 0.767 155 G HN 0.459 nan 8.290 nan 0.000 0.552 156 R N -0.261 120.250 120.500 0.018 0.000 2.081 156 R HA 0.095 4.435 4.340 -0.000 0.000 0.235 156 R C 2.630 179.072 176.300 0.237 0.000 1.131 156 R CA 0.900 57.032 56.100 0.054 0.000 0.960 156 R CB -0.435 29.845 30.300 -0.034 0.000 0.856 156 R HN 0.326 nan 8.270 nan 0.000 0.436 157 L N 0.723 122.120 121.223 0.289 0.000 2.056 157 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 157 L C 2.645 179.651 176.870 0.227 0.000 1.078 157 L CA 1.317 56.388 54.840 0.386 0.000 0.749 157 L CB -0.402 41.794 42.059 0.229 0.000 0.901 157 L HN 0.165 nan 8.230 nan 0.000 0.433 158 K N 0.487 120.918 120.400 0.052 0.000 2.057 158 K HA -0.190 4.130 4.320 -0.000 0.000 0.207 158 K C 2.130 178.735 176.600 0.008 0.000 1.049 158 K CA 1.377 57.669 56.287 0.008 0.000 0.931 158 K CB -0.069 32.391 32.500 -0.067 0.000 0.714 158 K HN 0.260 nan 8.250 nan 0.000 0.440 159 A N 0.848 123.665 122.820 -0.006 0.000 1.898 159 A HA -0.052 4.267 4.320 -0.000 0.000 0.216 159 A C 2.261 179.783 177.584 -0.103 0.000 1.181 159 A CA 1.788 53.805 52.037 -0.035 0.000 0.620 159 A CB -0.644 18.337 19.000 -0.031 0.000 0.819 159 A HN 0.477 nan 8.150 nan 0.000 0.442 160 A N -1.890 120.808 122.820 -0.202 0.000 2.021 160 A HA 0.347 4.667 4.320 -0.000 0.000 0.216 160 A C 0.565 177.705 177.584 -0.740 0.000 1.163 160 A CA 0.626 52.336 52.037 -0.546 0.000 0.676 160 A CB -0.186 18.334 19.000 -0.800 0.000 0.818 160 A HN 0.432 nan 8.150 nan 0.000 0.453 161 F N 0.425 120.423 119.950 0.080 0.000 2.597 161 F HA 0.292 4.819 4.527 -0.000 0.000 0.336 161 F C -2.603 173.163 175.800 -0.058 0.000 1.432 161 F CA -3.451 54.547 58.000 -0.002 0.000 1.120 161 F CB 0.583 39.563 39.000 -0.035 0.000 1.253 161 F HN -0.012 nan 8.300 nan 0.000 0.546 162 P HA 0.170 nan 4.420 nan 0.000 0.268 162 P C 1.038 178.346 177.300 0.013 0.000 1.204 162 P CA 1.080 64.195 63.100 0.026 0.000 0.768 162 P CB 1.389 33.095 31.700 0.011 0.000 0.842 163 G N 2.801 111.596 108.800 -0.008 0.000 2.284 163 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.261 163 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.261 163 G C 0.827 175.685 174.900 -0.070 0.000 0.997 163 G CA 0.441 45.525 45.100 -0.027 0.000 0.621 163 G HN 0.495 nan 8.290 nan 0.000 0.534 164 I N 0.099 120.604 120.570 -0.108 0.000 2.726 164 I HA 0.145 4.315 4.170 -0.000 0.000 0.243 164 I C 1.156 177.078 176.117 -0.325 0.000 1.082 164 I CA 0.409 61.542 61.300 -0.278 0.000 1.447 164 I CB -0.003 37.730 38.000 -0.446 0.000 1.250 164 I HN -0.004 nan 8.210 nan 0.000 0.453 165 V N 2.550 122.318 119.914 -0.243 0.000 2.356 165 V HA 0.041 4.161 4.120 -0.000 0.000 0.258 165 V C 1.096 177.142 176.094 -0.080 0.000 1.065 165 V CA 0.490 62.697 62.300 -0.154 0.000 0.935 165 V CB 0.365 32.158 31.823 -0.050 0.000 1.061 165 V HN 0.514 nan 8.190 nan 0.000 0.484 166 T N 0.664 115.172 114.554 -0.077 0.000 3.054 166 T HA 0.521 4.870 4.350 -0.000 0.000 0.255 166 T C 0.647 175.321 174.700 -0.043 0.000 1.035 166 T CA 0.381 62.455 62.100 -0.044 0.000 0.941 166 T CB 0.620 69.470 68.868 -0.030 0.000 1.026 166 T HN 0.905 nan 8.240 nan 0.000 0.533 167 G N 0.071 108.833 108.800 -0.062 0.000 2.430 167 G HA2 0.511 4.471 3.960 -0.000 0.000 0.300 167 G HA3 0.511 4.471 3.960 -0.000 0.000 0.300 167 G C -2.248 172.607 174.900 -0.075 0.000 1.330 167 G CA -0.484 44.570 45.100 -0.075 0.000 0.813 167 G HN 0.327 nan 8.290 nan 0.000 0.487 168 V N 0.225 120.096 119.914 -0.073 0.000 2.686 168 V HA 0.607 4.727 4.120 -0.000 0.000 0.306 168 V C -0.657 175.410 176.094 -0.045 0.000 1.065 168 V CA -0.993 61.288 62.300 -0.031 0.000 0.894 168 V CB 1.883 33.710 31.823 0.007 0.000 1.004 168 V HN 0.815 nan 8.190 nan 0.000 0.424 169 K N 2.963 123.358 120.400 -0.008 0.000 2.268 169 K HA 0.386 4.706 4.320 -0.000 0.000 0.276 169 K C -0.656 176.034 176.600 0.150 0.000 1.080 169 K CA -0.110 56.183 56.287 0.009 0.000 0.910 169 K CB 0.600 33.048 32.500 -0.086 0.000 1.163 169 K HN 0.688 nan 8.250 nan 0.000 0.465 170 D N 2.524 122.993 120.400 0.115 0.000 2.428 170 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 170 D C -0.634 175.752 176.300 0.142 0.000 1.123 170 D CA -0.127 53.961 54.000 0.146 0.000 0.869 170 D CB 0.692 41.585 40.800 0.155 0.000 1.032 170 D HN 0.418 nan 8.370 nan 0.000 0.506 171 S N 1.253 117.043 115.700 0.150 0.000 2.561 171 S HA -0.012 4.458 4.470 -0.000 0.000 0.245 171 S C 1.746 176.386 174.600 0.067 0.000 1.001 171 S CA -0.133 58.145 58.200 0.129 0.000 1.002 171 S CB 0.129 63.440 63.200 0.185 0.000 0.805 171 S HN 0.559 nan 8.310 nan 0.000 0.458 172 S N 1.377 117.102 115.700 0.042 0.000 2.423 172 S HA 0.084 4.554 4.470 -0.000 0.000 0.231 172 S C 1.797 176.420 174.600 0.038 0.000 1.014 172 S CA 0.777 58.972 58.200 -0.008 0.000 0.965 172 S CB -0.736 62.403 63.200 -0.100 0.000 0.785 172 S HN 0.807 nan 8.310 nan 0.000 0.495 173 G N 1.799 110.653 108.800 0.089 0.000 2.225 173 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.267 173 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.267 173 G C -0.104 174.875 174.900 0.132 0.000 1.024 173 G CA 0.357 45.527 45.100 0.117 0.000 0.784 173 G HN 0.753 nan 8.290 nan 0.000 0.507 174 N N 0.047 118.825 118.700 0.130 0.000 2.621 174 N HA 0.192 4.932 4.740 -0.000 0.000 0.237 174 N C 1.008 176.629 175.510 0.185 0.000 0.997 174 N CA -0.843 52.287 53.050 0.134 0.000 0.918 174 N CB 0.073 38.596 38.487 0.061 0.000 1.122 174 N HN 0.320 nan 8.380 nan 0.000 0.510 175 W N 3.530 124.872 121.300 0.070 0.000 2.342 175 W HA -0.228 4.432 4.660 -0.000 0.000 0.297 175 W C 1.349 177.908 176.519 0.067 0.000 1.213 175 W CA 1.973 59.357 57.345 0.064 0.000 1.251 175 W CB -0.230 29.255 29.460 0.043 0.000 1.136 175 W HN 0.629 nan 8.180 nan 0.000 0.526 176 S N -0.852 114.814 115.700 -0.057 0.000 2.399 176 S HA -0.302 4.168 4.470 -0.000 0.000 0.231 176 S C 1.964 176.443 174.600 -0.202 0.000 1.022 176 S CA 1.571 59.674 58.200 -0.160 0.000 0.983 176 S CB -1.274 61.926 63.200 0.001 0.000 0.803 176 S HN 0.469 nan 8.310 nan 0.000 0.480 177 H N 1.656 120.620 119.070 -0.176 0.000 2.299 177 H HA -0.062 4.494 4.556 -0.000 0.000 0.302 177 H C 1.973 177.164 175.328 -0.228 0.000 1.078 177 H CA 2.100 58.061 56.048 -0.144 0.000 1.323 177 H CB -0.755 28.968 29.762 -0.064 0.000 1.381 177 H HN 0.491 nan 8.280 nan 0.000 0.498 178 T N 0.814 115.242 114.554 -0.211 0.000 2.720 178 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 178 T C 1.854 176.191 174.700 -0.604 0.000 1.037 178 T CA 1.707 63.612 62.100 -0.325 0.000 1.144 178 T CB -0.286 68.449 68.868 -0.220 0.000 0.864 178 T HN 0.482 nan 8.240 nan 0.000 0.444 179 E N 0.873 120.464 120.200 -1.015 0.000 2.077 179 E HA -0.170 4.180 4.350 -0.000 0.000 0.193 179 E C 2.445 178.780 176.600 -0.441 0.000 0.989 179 E CA 0.914 56.784 56.400 -0.883 0.000 0.800 179 E CB 0.019 29.119 29.700 -1.000 0.000 0.746 179 E HN 0.416 nan 8.360 nan 0.000 0.452 180 R N 0.078 120.341 120.500 -0.395 0.000 2.075 180 R HA -0.083 4.256 4.340 -0.000 0.000 0.232 180 R C 2.623 178.749 176.300 -0.290 0.000 1.126 180 R CA 1.078 57.001 56.100 -0.296 0.000 0.963 180 R CB -0.294 29.844 30.300 -0.269 0.000 0.858 180 R HN 0.268 nan 8.270 nan 0.000 0.435 181 L N 0.694 121.725 121.223 -0.320 0.000 2.012 181 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 181 L C 2.394 179.186 176.870 -0.130 0.000 1.073 181 L CA 1.395 56.128 54.840 -0.178 0.000 0.748 181 L CB -0.433 41.529 42.059 -0.161 0.000 0.891 181 L HN 0.229 nan 8.230 nan 0.000 0.431 182 L N -0.596 120.529 121.223 -0.164 0.000 2.046 182 L HA -0.227 4.112 4.340 -0.000 0.000 0.208 182 L C 2.639 179.445 176.870 -0.106 0.000 1.077 182 L CA 1.436 56.214 54.840 -0.104 0.000 0.747 182 L CB -0.401 41.598 42.059 -0.100 0.000 0.896 182 L HN 0.194 nan 8.230 nan 0.000 0.432 183 K N -0.295 120.015 120.400 -0.150 0.000 2.103 183 K HA -0.115 4.205 4.320 -0.000 0.000 0.204 183 K C 1.933 178.424 176.600 -0.182 0.000 1.052 183 K CA 1.179 57.386 56.287 -0.134 0.000 0.945 183 K CB 0.051 32.475 32.500 -0.127 0.000 0.722 183 K HN 0.380 nan 8.250 nan 0.000 0.443 184 E N -0.610 119.410 120.200 -0.300 0.000 2.190 184 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 184 E C 0.628 176.841 176.600 -0.645 0.000 0.978 184 E CA 0.631 56.721 56.400 -0.517 0.000 0.839 184 E CB 0.365 29.625 29.700 -0.733 0.000 0.787 184 E HN 0.344 nan 8.360 nan 0.000 0.473 185 H N -1.139 117.894 119.070 -0.062 0.000 2.665 185 H HA 0.220 4.776 4.556 -0.000 0.000 0.248 185 H C 1.211 176.515 175.328 -0.040 0.000 1.175 185 H CA 0.132 56.153 56.048 -0.046 0.000 0.952 185 H CB 0.670 30.403 29.762 -0.049 0.000 1.883 185 H HN 0.134 nan 8.280 nan 0.000 0.623 186 G N 1.053 109.863 108.800 0.016 0.000 2.776 186 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 186 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 186 G C 1.249 176.163 174.900 0.023 0.000 1.145 186 G CA 0.513 45.621 45.100 0.013 0.000 0.791 186 G HN 0.384 nan 8.290 nan 0.000 0.530 187 D N 0.227 120.647 120.400 0.033 0.000 2.310 187 D HA -0.044 4.596 4.640 -0.000 0.000 0.212 187 D C 1.285 177.604 176.300 0.031 0.000 0.965 187 D CA 0.182 54.201 54.000 0.031 0.000 0.879 187 D CB -0.073 40.747 40.800 0.033 0.000 0.921 187 D HN 0.272 nan 8.370 nan 0.000 0.510 188 L N 0.246 121.491 121.223 0.037 0.000 2.469 188 L HA 0.460 4.800 4.340 -0.000 0.000 0.253 188 L C 0.611 177.486 176.870 0.010 0.000 1.143 188 L CA -1.188 53.662 54.840 0.018 0.000 0.804 188 L CB 0.751 42.815 42.059 0.009 0.000 1.214 188 L HN -0.121 nan 8.230 nan 0.000 0.476 189 A N 2.205 125.019 122.820 -0.010 0.000 2.539 189 A HA 0.374 4.694 4.320 -0.000 0.000 0.306 189 A C -0.265 177.279 177.584 -0.067 0.000 1.392 189 A CA -0.305 51.715 52.037 -0.028 0.000 1.060 189 A CB -0.782 18.195 19.000 -0.039 0.000 1.134 189 A HN 0.357 nan 8.150 nan 0.000 0.542 190 I N 4.332 124.882 120.570 -0.033 0.000 2.301 190 I HA 0.250 4.420 4.170 -0.000 0.000 0.292 190 I C -0.057 176.036 176.117 -0.040 0.000 1.046 190 I CA -0.011 61.270 61.300 -0.031 0.000 1.282 190 I CB 0.340 38.338 38.000 -0.004 0.000 1.409 190 I HN 0.466 nan 8.210 nan 0.000 0.484 191 L N 7.160 128.335 121.223 -0.080 0.000 2.334 191 L HA 0.624 4.964 4.340 -0.000 0.000 0.276 191 L C -0.264 176.602 176.870 -0.008 0.000 1.014 191 L CA -0.690 54.096 54.840 -0.089 0.000 0.815 191 L CB 2.240 44.142 42.059 -0.263 0.000 1.268 191 L HN 0.356 nan 8.230 nan 0.000 0.428 192 I N 1.115 121.706 120.570 0.035 0.000 2.410 192 I HA 0.271 4.441 4.170 -0.000 0.000 0.286 192 I C 1.002 177.172 176.117 0.089 0.000 1.009 192 I CA -0.198 61.153 61.300 0.085 0.000 1.111 192 I CB 2.004 40.078 38.000 0.125 0.000 1.262 192 I HN 0.790 nan 8.210 nan 0.000 0.443 193 G N 3.718 112.580 108.800 0.104 0.000 2.408 193 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.215 193 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.215 193 G C 0.519 175.482 174.900 0.106 0.000 1.156 193 G CA 0.192 45.356 45.100 0.108 0.000 0.793 193 G HN 0.574 nan 8.290 nan 0.000 0.535 194 D N 0.096 120.567 120.400 0.118 0.000 2.371 194 D HA 0.228 4.868 4.640 -0.000 0.000 0.256 194 D C 1.215 177.577 176.300 0.102 0.000 1.193 194 D CA -0.188 53.880 54.000 0.113 0.000 0.881 194 D CB 1.166 42.045 40.800 0.132 0.000 1.143 194 D HN 0.093 nan 8.370 nan 0.000 0.473 195 E N 2.483 122.733 120.200 0.085 0.000 2.110 195 E HA -0.157 4.193 4.350 -0.000 0.000 0.193 195 E C 1.789 178.422 176.600 0.056 0.000 0.988 195 E CA 0.811 57.253 56.400 0.069 0.000 0.804 195 E CB -0.013 29.729 29.700 0.070 0.000 0.745 195 E HN 0.465 nan 8.360 nan 0.000 0.458 196 R N 0.637 121.167 120.500 0.051 0.000 2.133 196 R HA -0.197 4.143 4.340 -0.000 0.000 0.247 196 R C 0.665 176.955 176.300 -0.016 0.000 1.151 196 R CA 1.907 58.016 56.100 0.015 0.000 0.971 196 R CB 0.013 30.323 30.300 0.017 0.000 0.866 196 R HN 0.121 nan 8.270 nan 0.000 0.447 197 D N -0.459 119.970 120.400 0.048 0.000 2.379 197 D HA -0.042 4.598 4.640 -0.000 0.000 0.208 197 D C 1.491 177.866 176.300 0.125 0.000 1.065 197 D CA 0.077 54.125 54.000 0.080 0.000 0.848 197 D CB 0.198 41.191 40.800 0.322 0.000 0.949 197 D HN 0.164 nan 8.370 nan 0.000 0.509 198 L N 1.508 122.787 121.223 0.094 0.000 2.005 198 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 198 L C 2.099 179.017 176.870 0.079 0.000 1.072 198 L CA 1.857 56.756 54.840 0.098 0.000 0.744 198 L CB -0.841 41.261 42.059 0.072 0.000 0.895 198 L HN -0.032 nan 8.230 nan 0.000 0.433 199 A N -0.379 122.465 122.820 0.040 0.000 1.902 199 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 199 A C 2.555 180.155 177.584 0.026 0.000 1.181 199 A CA 1.752 53.805 52.037 0.028 0.000 0.623 199 A CB -0.708 18.297 19.000 0.009 0.000 0.818 199 A HN 0.529 nan 8.150 nan 0.000 0.443 200 R N -0.577 119.914 120.500 -0.016 0.000 2.091 200 R HA -0.135 4.205 4.340 -0.000 0.000 0.238 200 R C 2.226 178.608 176.300 0.136 0.000 1.136 200 R CA 1.666 57.741 56.100 -0.042 0.000 0.959 200 R CB -0.656 29.458 30.300 -0.310 0.000 0.856 200 R HN 0.471 nan 8.270 nan 0.000 0.437 201 G N -0.187 108.760 108.800 0.246 0.000 2.408 201 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 201 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 201 G C 1.405 176.410 174.900 0.175 0.000 1.150 201 G CA 0.684 45.984 45.100 0.332 0.000 0.776 201 G HN 0.220 nan 8.290 nan 0.000 0.542 202 V N 0.786 120.773 119.914 0.122 0.000 2.343 202 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 202 V C 2.909 179.048 176.094 0.075 0.000 1.051 202 V CA 1.940 64.291 62.300 0.085 0.000 1.036 202 V CB -0.452 31.412 31.823 0.068 0.000 0.654 202 V HN 0.330 nan 8.190 nan 0.000 0.451 203 R N -0.478 120.066 120.500 0.073 0.000 2.152 203 R HA -0.048 4.292 4.340 -0.000 0.000 0.232 203 R C 1.831 178.175 176.300 0.073 0.000 1.117 203 R CA 1.055 57.191 56.100 0.060 0.000 0.981 203 R CB -0.261 30.066 30.300 0.045 0.000 0.870 203 R HN 0.411 nan 8.270 nan 0.000 0.451 204 L N -0.280 121.007 121.223 0.107 0.000 2.629 204 L HA 0.171 4.511 4.340 -0.000 0.000 0.230 204 L C 0.807 177.718 176.870 0.069 0.000 1.151 204 L CA 0.210 55.112 54.840 0.104 0.000 0.924 204 L CB 0.622 42.783 42.059 0.170 0.000 1.137 204 L HN 0.466 nan 8.230 nan 0.000 0.457 205 G N -0.894 107.943 108.800 0.061 0.000 2.184 205 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.206 205 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.206 205 G C 0.572 175.500 174.900 0.046 0.000 0.995 205 G CA -0.363 44.763 45.100 0.045 0.000 0.651 205 G HN 0.483 nan 8.290 nan 0.000 0.511 206 G N -0.475 108.361 108.800 0.061 0.000 2.491 206 G HA2 0.435 4.395 3.960 -0.000 0.000 0.242 206 G HA3 0.435 4.395 3.960 -0.000 0.000 0.242 206 G C 0.629 175.565 174.900 0.059 0.000 1.266 206 G CA 0.170 45.304 45.100 0.057 0.000 0.844 206 G HN 0.374 nan 8.290 nan 0.000 0.571 207 Q N 0.547 120.380 119.800 0.055 0.000 2.360 207 Q HA 0.302 4.642 4.340 -0.000 0.000 0.202 207 Q C 1.255 177.338 176.000 0.138 0.000 0.915 207 Q CA 0.485 56.342 55.803 0.089 0.000 0.943 207 Q CB 0.499 29.295 28.738 0.096 0.000 1.064 207 Q HN 0.930 nan 8.270 nan 0.000 0.511 208 G N 0.551 109.415 108.800 0.108 0.000 2.225 208 G HA2 0.253 4.213 3.960 -0.000 0.000 0.203 208 G HA3 0.253 4.213 3.960 -0.000 0.000 0.203 208 G C -1.729 173.233 174.900 0.103 0.000 1.335 208 G CA -0.483 44.701 45.100 0.140 0.000 1.183 208 G HN 0.323 nan 8.290 nan 0.000 0.488 209 A N -1.035 121.878 122.820 0.155 0.000 2.594 209 A HA 0.770 5.090 4.320 -0.000 0.000 0.295 209 A C -1.141 176.533 177.584 0.151 0.000 1.071 209 A CA -0.407 51.685 52.037 0.090 0.000 0.685 209 A CB 1.202 20.244 19.000 0.070 0.000 1.285 209 A HN 1.276 nan 8.150 nan 0.000 0.405 210 I N 2.078 122.683 120.570 0.060 0.000 2.337 210 I HA 0.398 4.568 4.170 -0.000 0.000 0.285 210 I C 0.304 176.441 176.117 0.032 0.000 1.041 210 I CA -0.184 61.153 61.300 0.061 0.000 1.199 210 I CB 1.485 39.471 38.000 -0.023 0.000 1.370 210 I HN 0.506 nan 8.210 nan 0.000 0.470 211 S N 3.679 119.395 115.700 0.026 0.000 2.473 211 S HA 0.523 4.993 4.470 -0.000 0.000 0.307 211 S C 1.039 175.632 174.600 -0.011 0.000 1.094 211 S CA -0.391 57.813 58.200 0.007 0.000 1.070 211 S CB 1.673 64.863 63.200 -0.018 0.000 1.019 211 S HN 0.757 nan 8.310 nan 0.000 0.480 212 G N 2.951 111.759 108.800 0.014 0.000 2.394 212 G HA2 -0.082 3.877 3.960 -0.000 0.000 0.215 212 G HA3 -0.082 3.877 3.960 -0.000 0.000 0.215 212 G C 1.217 176.089 174.900 -0.046 0.000 1.165 212 G CA 0.937 46.056 45.100 0.032 0.000 0.784 212 G HN 0.671 nan 8.290 nan 0.000 0.535 213 V N 1.646 121.475 119.914 -0.141 0.000 2.594 213 V HA -0.103 4.017 4.120 -0.000 0.000 0.253 213 V C 3.210 178.890 176.094 -0.690 0.000 1.069 213 V CA 1.638 63.630 62.300 -0.513 0.000 1.082 213 V CB -0.649 30.981 31.823 -0.321 0.000 0.680 213 V HN 0.446 nan 8.190 nan 0.000 0.469 214 A N 0.133 122.753 122.820 -0.333 0.000 2.178 214 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 214 A C 1.977 179.418 177.584 -0.238 0.000 1.157 214 A CA 1.348 53.227 52.037 -0.264 0.000 0.689 214 A CB -0.638 18.276 19.000 -0.144 0.000 0.787 214 A HN 0.626 nan 8.150 nan 0.000 0.465 215 N N -0.790 117.792 118.700 -0.195 0.000 2.381 215 N HA -0.102 4.638 4.740 -0.000 0.000 0.182 215 N C 0.869 176.396 175.510 0.028 0.000 1.025 215 N CA 1.831 54.863 53.050 -0.030 0.000 0.888 215 N CB -0.130 38.424 38.487 0.112 0.000 0.965 215 N HN 0.816 nan 8.380 nan 0.000 0.438 216 F N -2.778 117.114 119.950 -0.097 0.000 2.975 216 F HA 0.432 4.959 4.527 0.000 0.000 0.366 216 F C 0.175 175.921 175.800 -0.090 0.000 1.071 216 F CA -0.408 57.518 58.000 -0.123 0.000 1.102 216 F CB 0.143 39.020 39.000 -0.205 0.000 1.176 216 F HN -0.251 nan 8.300 nan 0.000 0.545 217 L N 1.542 122.500 121.223 -0.442 0.000 2.725 217 L HA 0.302 4.642 4.340 -0.000 0.000 0.270 217 L C 0.745 177.473 176.870 -0.238 0.000 1.422 217 L CA -0.103 54.559 54.840 -0.298 0.000 0.770 217 L CB 0.860 42.651 42.059 -0.446 0.000 1.081 217 L HN 0.057 nan 8.230 nan 0.000 0.527 218 T N -1.267 113.188 114.554 -0.165 0.000 2.674 218 T HA -0.177 4.173 4.350 -0.000 0.000 0.265 218 T C 1.794 176.439 174.700 -0.091 0.000 1.039 218 T CA 1.286 63.307 62.100 -0.133 0.000 1.150 218 T CB 0.039 68.842 68.868 -0.109 0.000 0.864 218 T HN 0.357 nan 8.240 nan 0.000 0.427 219 Q N 0.674 120.435 119.800 -0.064 0.000 2.124 219 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 219 Q C 2.331 178.314 176.000 -0.028 0.000 0.977 219 Q CA 1.380 57.161 55.803 -0.037 0.000 0.850 219 Q CB -0.272 28.456 28.738 -0.017 0.000 0.901 219 Q HN 0.571 nan 8.270 nan 0.000 0.429 220 E N -0.277 119.901 120.200 -0.037 0.000 2.072 220 E HA -0.100 4.250 4.350 -0.000 0.000 0.191 220 E C 2.115 178.702 176.600 -0.022 0.000 0.985 220 E CA 0.880 57.274 56.400 -0.009 0.000 0.801 220 E CB -0.171 29.529 29.700 -0.001 0.000 0.750 220 E HN 0.071 nan 8.360 nan 0.000 0.452 221 V N 0.723 120.598 119.914 -0.065 0.000 2.427 221 V HA -0.191 3.928 4.120 -0.000 0.000 0.248 221 V C 2.348 178.427 176.094 -0.025 0.000 1.051 221 V CA 1.685 63.954 62.300 -0.051 0.000 1.048 221 V CB -0.431 31.337 31.823 -0.090 0.000 0.666 221 V HN 0.177 nan 8.190 nan 0.000 0.456 222 R N 0.567 121.048 120.500 -0.031 0.000 2.105 222 R HA -0.184 4.156 4.340 -0.000 0.000 0.239 222 R C 2.253 178.552 176.300 -0.002 0.000 1.135 222 R CA 1.683 57.773 56.100 -0.017 0.000 0.967 222 R CB -0.414 29.870 30.300 -0.026 0.000 0.861 222 R HN 0.491 nan 8.270 nan 0.000 0.442 223 A N 0.372 123.192 122.820 0.000 0.000 2.019 223 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 223 A C 2.049 179.642 177.584 0.014 0.000 1.164 223 A CA 1.462 53.504 52.037 0.008 0.000 0.644 223 A CB -0.283 18.724 19.000 0.013 0.000 0.805 223 A HN 0.359 nan 8.150 nan 0.000 0.449 224 M N -1.011 118.599 119.600 0.016 0.000 2.191 224 M HA 0.063 4.543 4.480 -0.000 0.000 0.262 224 M C 2.502 178.821 176.300 0.030 0.000 1.083 224 M CA 1.300 56.614 55.300 0.023 0.000 1.154 224 M CB -0.261 32.354 32.600 0.024 0.000 1.344 224 M HN 0.351 nan 8.290 nan 0.000 0.431 225 A N -0.414 122.424 122.820 0.030 0.000 1.968 225 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 225 A C 2.101 179.713 177.584 0.048 0.000 1.169 225 A CA 1.320 53.385 52.037 0.046 0.000 0.638 225 A CB -0.444 18.585 19.000 0.049 0.000 0.812 225 A HN 0.301 nan 8.150 nan 0.000 0.446 226 V N -0.620 119.313 119.914 0.031 0.000 2.806 226 V HA -0.002 4.118 4.120 -0.000 0.000 0.239 226 V C 1.301 177.409 176.094 0.023 0.000 1.113 226 V CA 1.279 63.596 62.300 0.027 0.000 1.137 226 V CB -0.269 31.562 31.823 0.012 0.000 0.865 226 V HN 0.394 nan 8.190 nan 0.000 0.482 227 D N 0.611 121.021 120.400 0.018 0.000 2.349 227 D HA 0.162 4.802 4.640 -0.000 0.000 0.215 227 D C 1.708 178.019 176.300 0.018 0.000 1.016 227 D CA 1.077 55.087 54.000 0.015 0.000 0.870 227 D CB 0.359 41.165 40.800 0.010 0.000 0.917 227 D HN 0.485 nan 8.370 nan 0.000 0.524 228 G N 1.599 110.413 108.800 0.023 0.000 2.221 228 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.265 228 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.265 228 G C 0.044 174.953 174.900 0.015 0.000 1.041 228 G CA 0.123 45.238 45.100 0.024 0.000 0.807 228 G HN 0.288 nan 8.290 nan 0.000 0.502 229 K N 0.562 120.970 120.400 0.013 0.000 2.206 229 K HA 0.383 4.703 4.320 -0.000 0.000 0.264 229 K C -0.446 176.158 176.600 0.007 0.000 0.967 229 K CA -1.019 55.272 56.287 0.008 0.000 0.844 229 K CB 1.163 33.669 32.500 0.009 0.000 1.099 229 K HN 0.086 nan 8.250 nan 0.000 0.441 230 D N 1.766 122.165 120.400 -0.002 0.000 2.443 230 D HA -0.001 4.639 4.640 -0.000 0.000 0.239 230 D C -0.514 175.790 176.300 0.006 0.000 1.136 230 D CA 0.652 54.649 54.000 -0.005 0.000 0.879 230 D CB 0.666 41.454 40.800 -0.020 0.000 1.195 230 D HN 0.370 nan 8.370 nan 0.000 0.443 231 D N 1.526 121.936 120.400 0.017 0.000 2.346 231 D HA 0.216 4.856 4.640 -0.000 0.000 0.255 231 D C -2.098 174.221 176.300 0.032 0.000 1.276 231 D CA -1.903 52.117 54.000 0.033 0.000 0.941 231 D CB 1.544 42.387 40.800 0.071 0.000 1.199 231 D HN -0.100 nan 8.370 nan 0.000 0.537 232 P HA -0.073 nan 4.420 nan 0.000 0.219 232 P C 1.239 178.535 177.300 -0.006 0.000 1.146 232 P CA 0.838 63.934 63.100 -0.006 0.000 0.808 232 P CB 0.395 32.078 31.700 -0.028 0.000 0.779 233 R N -0.832 119.648 120.500 -0.032 0.000 2.081 233 R HA -0.058 4.282 4.340 -0.000 0.000 0.235 233 R C 2.168 178.555 176.300 0.145 0.000 1.131 233 R CA 1.054 57.086 56.100 -0.113 0.000 0.960 233 R CB -0.750 29.294 30.300 -0.426 0.000 0.856 233 R HN 0.189 nan 8.270 nan 0.000 0.436 234 I N 0.484 121.215 120.570 0.268 0.000 2.252 234 I HA -0.196 3.974 4.170 -0.000 0.000 0.245 234 I C 2.351 178.577 176.117 0.182 0.000 1.102 234 I CA 1.253 62.730 61.300 0.295 0.000 1.385 234 I CB -0.771 37.340 38.000 0.186 0.000 1.064 234 I HN -0.018 nan 8.210 nan 0.000 0.414 235 V N 1.299 121.281 119.914 0.113 0.000 2.287 235 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 235 V C 2.181 178.328 176.094 0.088 0.000 1.053 235 V CA 1.998 64.347 62.300 0.082 0.000 1.027 235 V CB -0.733 31.116 31.823 0.043 0.000 0.646 235 V HN 0.329 nan 8.190 nan 0.000 0.447 236 D N -0.266 120.181 120.400 0.078 0.000 2.144 236 D HA -0.133 4.507 4.640 -0.000 0.000 0.199 236 D C 1.929 178.302 176.300 0.123 0.000 0.984 236 D CA 1.017 55.059 54.000 0.070 0.000 0.834 236 D CB -0.288 40.526 40.800 0.024 0.000 0.955 236 D HN 0.364 nan 8.370 nan 0.000 0.465 237 L N 0.450 121.790 121.223 0.195 0.000 2.056 237 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 237 L C 2.150 179.162 176.870 0.236 0.000 1.078 237 L CA 1.165 56.172 54.840 0.278 0.000 0.749 237 L CB -0.269 42.064 42.059 0.456 0.000 0.901 237 L HN -0.134 nan 8.230 nan 0.000 0.433 238 V N -1.236 118.796 119.914 0.198 0.000 2.407 238 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 238 V C 2.496 178.671 176.094 0.135 0.000 1.055 238 V CA 1.530 63.928 62.300 0.165 0.000 1.049 238 V CB -0.478 31.424 31.823 0.132 0.000 0.662 238 V HN 0.342 nan 8.190 nan 0.000 0.455 239 V N -0.168 119.813 119.914 0.112 0.000 2.287 239 V HA -0.318 3.802 4.120 -0.000 0.000 0.248 239 V C 2.464 178.614 176.094 0.093 0.000 1.053 239 V CA 2.324 64.674 62.300 0.082 0.000 1.027 239 V CB -0.617 31.242 31.823 0.060 0.000 0.646 239 V HN 0.547 nan 8.190 nan 0.000 0.447 240 E N -0.017 120.262 120.200 0.131 0.000 2.051 240 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 240 E C 2.133 178.878 176.600 0.242 0.000 0.991 240 E CA 1.244 57.747 56.400 0.171 0.000 0.799 240 E CB -0.285 29.536 29.700 0.201 0.000 0.748 240 E HN 0.509 nan 8.360 nan 0.000 0.449 241 L N 0.256 121.625 121.223 0.243 0.000 2.131 241 L HA -0.146 4.194 4.340 -0.000 0.000 0.210 241 L C 2.018 179.028 176.870 0.233 0.000 1.092 241 L CA 0.676 55.680 54.840 0.274 0.000 0.759 241 L CB -0.324 41.873 42.059 0.230 0.000 0.903 241 L HN 0.196 nan 8.230 nan 0.000 0.435 242 L N -0.336 120.973 121.223 0.145 0.000 2.551 242 L HA -0.123 4.217 4.340 -0.000 0.000 0.228 242 L C 2.113 178.988 176.870 0.008 0.000 1.153 242 L CA 0.685 55.575 54.840 0.084 0.000 0.851 242 L CB -0.457 41.640 42.059 0.063 0.000 0.959 242 L HN 0.264 nan 8.230 nan 0.000 0.451 243 K N -0.211 120.151 120.400 -0.064 0.000 2.432 243 K HA 0.058 4.377 4.320 -0.000 0.000 0.196 243 K C -0.116 176.159 176.600 -0.542 0.000 1.038 243 K CA 0.643 56.722 56.287 -0.347 0.000 0.986 243 K CB 0.226 32.379 32.500 -0.579 0.000 0.782 243 K HN 0.078 nan 8.250 nan 0.000 0.485 244 F N 0.204 120.173 119.950 0.033 0.000 2.631 244 F HA 0.325 4.852 4.527 -0.000 0.000 0.328 244 F C -2.309 173.511 175.800 0.033 0.000 1.067 244 F CA -3.185 54.832 58.000 0.028 0.000 0.969 244 F CB 0.549 39.564 39.000 0.025 0.000 1.332 244 F HN -0.328 nan 8.300 nan 0.000 0.490 245 P HA 0.038 nan 4.420 nan 0.000 0.261 245 P C 0.658 178.054 177.300 0.159 0.000 1.183 245 P CA 0.266 63.457 63.100 0.152 0.000 0.761 245 P CB 0.544 32.317 31.700 0.123 0.000 0.785 246 V N 3.019 123.013 119.914 0.134 0.000 2.307 246 V HA -0.221 3.899 4.120 -0.000 0.000 0.245 246 V C 2.156 178.326 176.094 0.126 0.000 1.045 246 V CA 2.444 64.827 62.300 0.138 0.000 1.024 246 V CB -1.381 30.517 31.823 0.124 0.000 0.651 246 V HN 0.586 nan 8.190 nan 0.000 0.449 247 T N 0.434 115.059 114.554 0.118 0.000 2.708 247 T HA -0.092 4.258 4.350 -0.000 0.000 0.266 247 T C -0.038 174.724 174.700 0.103 0.000 1.037 247 T CA 1.937 64.109 62.100 0.120 0.000 1.146 247 T CB -1.234 67.713 68.868 0.131 0.000 0.865 247 T HN 0.430 nan 8.240 nan 0.000 0.435 248 P HA -0.011 nan 4.420 nan 0.000 0.218 248 P C 1.371 178.675 177.300 0.006 0.000 1.148 248 P CA 1.150 64.289 63.100 0.064 0.000 0.822 248 P CB -0.166 31.570 31.700 0.061 0.000 0.784 249 A N -0.779 122.046 122.820 0.007 0.000 1.929 249 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 249 A C 2.314 179.844 177.584 -0.090 0.000 1.176 249 A CA 1.383 53.378 52.037 -0.070 0.000 0.628 249 A CB -1.602 17.400 19.000 0.002 0.000 0.816 249 A HN 0.011 nan 8.150 nan 0.000 0.444 250 V N 0.379 120.297 119.914 0.007 0.000 2.287 250 V HA -0.307 3.813 4.120 -0.000 0.000 0.248 250 V C 2.459 178.488 176.094 -0.107 0.000 1.053 250 V CA 2.440 64.757 62.300 0.028 0.000 1.027 250 V CB -0.661 31.266 31.823 0.173 0.000 0.646 250 V HN 0.553 nan 8.190 nan 0.000 0.447 251 K N -0.482 119.894 120.400 -0.040 0.000 2.097 251 K HA -0.129 4.190 4.320 -0.000 0.000 0.206 251 K C 2.059 178.607 176.600 -0.087 0.000 1.049 251 K CA 1.254 57.526 56.287 -0.025 0.000 0.933 251 K CB -0.394 32.173 32.500 0.111 0.000 0.717 251 K HN 0.329 nan 8.250 nan 0.000 0.442 252 V N 1.865 121.697 119.914 -0.136 0.000 2.332 252 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 252 V C 2.114 178.026 176.094 -0.302 0.000 1.055 252 V CA 1.688 63.877 62.300 -0.186 0.000 1.038 252 V CB -0.350 31.335 31.823 -0.231 0.000 0.651 252 V HN 0.302 nan 8.190 nan 0.000 0.450 253 L N -0.937 119.970 121.223 -0.525 0.000 2.240 253 L HA -0.058 4.282 4.340 -0.000 0.000 0.211 253 L C 2.349 178.792 176.870 -0.711 0.000 1.106 253 L CA 0.474 54.789 54.840 -0.874 0.000 0.793 253 L CB -0.435 40.609 42.059 -1.692 0.000 0.927 253 L HN 0.197 nan 8.230 nan 0.000 0.446 254 V N -0.869 118.744 119.914 -0.502 0.000 2.295 254 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 254 V C 2.581 178.486 176.094 -0.315 0.000 1.049 254 V CA 2.023 64.061 62.300 -0.437 0.000 1.024 254 V CB -0.463 30.877 31.823 -0.806 0.000 0.648 254 V HN 0.362 nan 8.190 nan 0.000 0.447 255 S N -1.011 114.604 115.700 -0.142 0.000 2.359 255 S HA -0.288 4.182 4.470 -0.000 0.000 0.224 255 S C 2.002 176.597 174.600 -0.009 0.000 1.035 255 S CA 2.088 60.317 58.200 0.048 0.000 1.018 255 S CB -0.466 62.792 63.200 0.097 0.000 0.876 255 S HN 0.800 nan 8.310 nan 0.000 0.448 256 H N 1.468 120.409 119.070 -0.214 0.000 2.321 256 H HA -0.076 4.480 4.556 -0.000 0.000 0.300 256 H C 2.381 177.593 175.328 -0.193 0.000 1.087 256 H CA 2.250 58.165 56.048 -0.222 0.000 1.319 256 H CB -0.608 28.943 29.762 -0.351 0.000 1.379 256 H HN 0.487 nan 8.280 nan 0.000 0.501 257 T N -3.316 111.053 114.554 -0.309 0.000 2.985 257 T HA -0.095 4.255 4.350 -0.000 0.000 0.266 257 T C 1.917 176.544 174.700 -0.123 0.000 1.076 257 T CA 1.396 63.347 62.100 -0.248 0.000 1.135 257 T CB -0.602 68.176 68.868 -0.151 0.000 0.890 257 T HN 0.527 nan 8.240 nan 0.000 0.480 258 T N -2.652 111.852 114.554 -0.083 0.000 3.014 258 T HA 0.460 4.810 4.350 -0.000 0.000 0.250 258 T C 1.992 176.701 174.700 0.015 0.000 1.060 258 T CA 0.678 62.771 62.100 -0.011 0.000 1.040 258 T CB -0.368 68.519 68.868 0.031 0.000 0.971 258 T HN 0.863 nan 8.240 nan 0.000 0.497 259 G N 1.582 110.382 108.800 0.001 0.000 2.168 259 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.263 259 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.263 259 G C -0.249 174.687 174.900 0.061 0.000 0.977 259 G CA 0.249 45.362 45.100 0.022 0.000 0.659 259 G HN 0.675 nan 8.290 nan 0.000 0.533 260 E N 0.734 121.010 120.200 0.125 0.000 2.152 260 E HA 0.396 4.746 4.350 -0.000 0.000 0.285 260 E C 1.654 178.341 176.600 0.144 0.000 1.043 260 E CA 0.235 56.728 56.400 0.155 0.000 0.839 260 E CB 0.666 30.549 29.700 0.304 0.000 1.069 260 E HN 0.388 nan 8.360 nan 0.000 0.399 261 T N 0.635 115.208 114.554 0.032 0.000 3.023 261 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 261 T C 1.754 176.424 174.700 -0.051 0.000 1.093 261 T CA 0.222 62.328 62.100 0.010 0.000 1.129 261 T CB -0.046 68.816 68.868 -0.010 0.000 0.899 261 T HN 0.484 nan 8.240 nan 0.000 0.491 262 I N -0.365 120.089 120.570 -0.193 0.000 2.315 262 I HA -0.147 4.023 4.170 -0.000 0.000 0.251 262 I C 1.761 177.665 176.117 -0.355 0.000 1.125 262 I CA 1.414 62.501 61.300 -0.355 0.000 1.392 262 I CB -0.112 37.544 38.000 -0.573 0.000 1.065 262 I HN 0.326 nan 8.210 nan 0.000 0.424 263 W N 0.928 122.187 121.300 -0.069 0.000 2.525 263 W HA -0.146 4.514 4.660 0.000 0.000 0.259 263 W C 2.886 179.379 176.519 -0.043 0.000 1.253 263 W CA 0.912 58.206 57.345 -0.085 0.000 1.262 263 W CB -0.652 28.727 29.460 -0.134 0.000 1.122 263 W HN 0.259 nan 8.180 nan 0.000 0.607 264 S N -0.237 115.535 115.700 0.121 0.000 2.368 264 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 264 S C 0.502 175.154 174.600 0.085 0.000 1.044 264 S CA 1.203 59.446 58.200 0.072 0.000 1.062 264 S CB -0.805 62.413 63.200 0.030 0.000 0.931 264 S HN 0.041 nan 8.310 nan 0.000 0.440 265 D N 2.265 122.715 120.400 0.084 0.000 2.458 265 D HA 0.432 5.072 4.640 -0.000 0.000 0.243 265 D C 0.108 176.553 176.300 0.242 0.000 1.146 265 D CA 0.194 54.267 54.000 0.121 0.000 0.877 265 D CB 1.297 42.169 40.800 0.121 0.000 1.176 265 D HN 0.423 nan 8.370 nan 0.000 0.461 266 V N 0.285 120.306 119.914 0.179 0.000 3.046 266 V HA 0.608 4.728 4.120 -0.000 0.000 0.316 266 V C -0.018 176.061 176.094 -0.026 0.000 1.104 266 V CA -1.271 61.153 62.300 0.205 0.000 1.006 266 V CB 2.060 33.970 31.823 0.145 0.000 1.058 266 V HN 0.380 nan 8.190 nan 0.000 0.440 267 R N 1.640 122.037 120.500 -0.171 0.000 2.404 267 R HA 0.736 5.076 4.340 -0.000 0.000 0.291 267 R C 0.338 176.554 176.300 -0.139 0.000 1.025 267 R CA 0.134 56.016 56.100 -0.362 0.000 0.991 267 R CB 1.312 31.241 30.300 -0.620 0.000 1.053 267 R HN 1.276 nan 8.270 nan 0.000 0.479 268 A N 5.001 127.746 122.820 -0.126 0.000 2.561 268 A HA 0.108 4.428 4.320 -0.000 0.000 0.234 268 A C -1.541 176.014 177.584 -0.048 0.000 1.055 268 A CA -0.837 51.161 52.037 -0.065 0.000 0.756 268 A CB -0.025 18.938 19.000 -0.062 0.000 0.986 268 A HN 0.797 nan 8.150 nan 0.000 0.505 269 P HA 0.139 nan 4.420 nan 0.000 0.255 269 P C -0.029 177.275 177.300 0.006 0.000 1.248 269 P CA 0.138 63.234 63.100 -0.007 0.000 0.807 269 P CB -0.027 31.673 31.700 0.000 0.000 1.150 270 L N 0.783 122.014 121.223 0.014 0.000 2.464 270 L HA 0.235 4.575 4.340 -0.000 0.000 0.264 270 L C 0.786 177.669 176.870 0.021 0.000 1.199 270 L CA -0.612 54.247 54.840 0.031 0.000 0.818 270 L CB 0.732 42.826 42.059 0.057 0.000 1.102 270 L HN -0.169 nan 8.230 nan 0.000 0.473 271 V N -0.772 119.161 119.914 0.031 0.000 2.735 271 V HA 0.806 4.925 4.120 -0.000 0.000 0.310 271 V C 0.075 176.189 176.094 0.033 0.000 1.061 271 V CA -0.996 61.319 62.300 0.025 0.000 0.913 271 V CB 1.445 33.281 31.823 0.022 0.000 1.005 271 V HN 0.845 nan 8.190 nan 0.000 0.428 272 A N 4.962 127.797 122.820 0.025 0.000 2.483 272 A HA 0.543 4.863 4.320 -0.000 0.000 0.238 272 A C 0.361 177.949 177.584 0.007 0.000 1.070 272 A CA -0.419 51.631 52.037 0.022 0.000 0.770 272 A CB -0.104 18.907 19.000 0.018 0.000 1.008 272 A HN 0.834 nan 8.150 nan 0.000 0.497 273 I N 2.189 122.749 120.570 -0.017 0.000 2.710 273 I HA -0.000 4.170 4.170 -0.000 0.000 0.286 273 I C 1.385 177.473 176.117 -0.049 0.000 1.181 273 I CA 0.631 61.898 61.300 -0.055 0.000 1.430 273 I CB 0.189 38.098 38.000 -0.151 0.000 1.367 273 I HN 0.843 nan 8.210 nan 0.000 0.577 274 S N 7.246 122.928 115.700 -0.031 0.000 2.584 274 S HA 0.186 4.656 4.470 -0.000 0.000 0.270 274 S C -1.689 172.888 174.600 -0.040 0.000 1.346 274 S CA -0.936 57.254 58.200 -0.018 0.000 1.018 274 S CB 0.706 63.912 63.200 0.010 0.000 0.899 274 S HN 0.430 nan 8.310 nan 0.000 0.542 275 P HA -0.140 nan 4.420 nan 0.000 0.216 275 P C 1.407 178.685 177.300 -0.037 0.000 1.153 275 P CA 1.476 64.556 63.100 -0.033 0.000 0.858 275 P CB 0.060 31.750 31.700 -0.017 0.000 0.789 276 E N -0.599 119.591 120.200 -0.017 0.000 2.047 276 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 276 E C 1.507 178.098 176.600 -0.015 0.000 0.987 276 E CA 1.204 57.602 56.400 -0.005 0.000 0.799 276 E CB -0.360 29.352 29.700 0.020 0.000 0.752 276 E HN 0.100 nan 8.360 nan 0.000 0.449 277 D N 0.005 120.390 120.400 -0.025 0.000 2.144 277 D HA -0.169 4.471 4.640 -0.000 0.000 0.199 277 D C 1.941 178.074 176.300 -0.278 0.000 0.984 277 D CA 0.769 54.707 54.000 -0.104 0.000 0.834 277 D CB -0.248 40.490 40.800 -0.103 0.000 0.955 277 D HN 0.152 nan 8.370 nan 0.000 0.465 278 R N 0.847 121.219 120.500 -0.213 0.000 2.083 278 R HA -0.073 4.267 4.340 -0.000 0.000 0.237 278 R C 2.232 178.414 176.300 -0.196 0.000 1.137 278 R CA 1.167 57.133 56.100 -0.223 0.000 0.951 278 R CB 0.065 30.275 30.300 -0.150 0.000 0.851 278 R HN 0.056 nan 8.270 nan 0.000 0.434 279 R N 0.074 120.499 120.500 -0.125 0.000 2.096 279 R HA -0.186 4.154 4.340 -0.000 0.000 0.235 279 R C 2.491 178.745 176.300 -0.078 0.000 1.127 279 R CA 1.840 57.882 56.100 -0.096 0.000 0.968 279 R CB -0.276 29.996 30.300 -0.046 0.000 0.861 279 R HN 0.464 nan 8.270 nan 0.000 0.440 280 Q N 0.904 120.672 119.800 -0.054 0.000 2.050 280 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 280 Q C 2.018 178.013 176.000 -0.009 0.000 0.980 280 Q CA 1.469 57.278 55.803 0.010 0.000 0.840 280 Q CB -0.013 28.791 28.738 0.109 0.000 0.898 280 Q HN 0.350 nan 8.270 nan 0.000 0.424 281 I N 0.613 121.106 120.570 -0.128 0.000 2.202 281 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 281 I C 2.130 178.180 176.117 -0.111 0.000 1.091 281 I CA 1.362 62.581 61.300 -0.134 0.000 1.368 281 I CB -0.181 37.624 38.000 -0.325 0.000 1.058 281 I HN 0.271 nan 8.210 nan 0.000 0.410 282 E N 0.633 120.688 120.200 -0.242 0.000 2.077 282 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 282 E C 2.300 178.843 176.600 -0.094 0.000 0.989 282 E CA 1.200 57.354 56.400 -0.410 0.000 0.800 282 E CB -0.338 28.949 29.700 -0.689 0.000 0.746 282 E HN 0.597 nan 8.360 nan 0.000 0.452 283 G N 1.181 109.961 108.800 -0.033 0.000 2.418 283 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 283 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 283 G C 1.698 176.656 174.900 0.097 0.000 1.158 283 G CA 0.828 45.956 45.100 0.047 0.000 0.771 283 G HN 0.344 nan 8.290 nan 0.000 0.545 284 A N 0.534 123.419 122.820 0.108 0.000 1.883 284 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 284 A C 2.183 179.890 177.584 0.206 0.000 1.186 284 A CA 1.670 53.791 52.037 0.139 0.000 0.624 284 A CB -0.628 18.467 19.000 0.158 0.000 0.822 284 A HN 0.436 nan 8.150 nan 0.000 0.444 285 F N 1.230 121.255 119.950 0.125 0.000 2.095 285 F HA -0.225 4.302 4.527 -0.000 0.000 0.298 285 F C 1.799 177.770 175.800 0.285 0.000 1.104 285 F CA 2.291 60.445 58.000 0.258 0.000 1.232 285 F CB -0.217 38.890 39.000 0.179 0.000 0.987 285 F HN 0.236 nan 8.300 nan 0.000 0.475 286 D N 0.541 121.141 120.400 0.333 0.000 2.144 286 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 286 D C 2.341 178.662 176.300 0.035 0.000 0.984 286 D CA 1.435 55.559 54.000 0.206 0.000 0.834 286 D CB -0.683 40.270 40.800 0.254 0.000 0.955 286 D HN 0.403 nan 8.370 nan 0.000 0.465 287 A N -0.034 122.801 122.820 0.025 0.000 2.019 287 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 287 A C 2.243 179.749 177.584 -0.130 0.000 1.164 287 A CA 0.899 52.917 52.037 -0.031 0.000 0.644 287 A CB -0.413 18.583 19.000 -0.008 0.000 0.805 287 A HN 0.231 nan 8.150 nan 0.000 0.449 288 L N -3.411 117.678 121.223 -0.224 0.000 2.316 288 L HA 0.188 4.528 4.340 -0.000 0.000 0.207 288 L C 1.442 177.809 176.870 -0.838 0.000 1.070 288 L CA 0.601 55.116 54.840 -0.541 0.000 0.820 288 L CB 0.095 41.768 42.059 -0.644 0.000 0.992 288 L HN 0.381 nan 8.230 nan 0.000 0.466 289 F N -1.410 118.327 119.950 -0.355 0.000 2.767 289 F HA 0.271 4.798 4.527 -0.000 0.000 0.323 289 F C 1.038 176.695 175.800 -0.239 0.000 1.091 289 F CA -0.384 57.385 58.000 -0.385 0.000 1.192 289 F CB 0.422 38.967 39.000 -0.759 0.000 1.056 289 F HN -0.217 nan 8.300 nan 0.000 0.571 290 R N 0.000 120.477 120.500 -0.038 0.000 2.786 290 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 290 R CA 0.000 56.125 56.100 0.042 0.000 0.921 290 R CB 0.000 30.376 30.300 0.126 0.000 0.687 290 R HN 0.000 nan 8.270 nan 0.000 0.535