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 1pov_1_0 DATA FIRST_RESID 2 DATA SEQUENCE GAQVSSQKVG AHXXXXXXXX XXXINYTTIN YYRDSASNAA SKQXXXXXXX DATA SEQUENCE XXXXXIKDVL IKTAPMLNSP NIEACGYXXX XLQLTLGNST ITTQEAANSV DATA SEQUENCE VAYGRWPEYL RDXXXXXXXX XXXXXVAAcR FYTLDTVSWT KESRGWWWKL DATA SEQUENCE PDALRDMGLF GQNMYYHYLG RSGYTVHVQC NASKFHQGAL GVFAVPEMCL DATA SEQUENCE AGDSNTTTMH TSYQNANPGE KGGTFTGTFT PDNNQTSPAR RFCPVDYLLG DATA SEQUENCE NGTLLGNAFV FPHQIINLRT NNCATLVLPY VNSLSIDSMV KHNNWGIAIL DATA SEQUENCE PLAPLNFASE SSPEIPITLT IAPMCcEFNG LRNITLPRLQ 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 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 2 G C 0.000 174.883 174.900 -0.028 0.000 0.946 2 G CA 0.000 45.090 45.100 -0.017 0.000 0.502 3 A N 0.575 123.380 122.820 -0.025 0.000 2.520 3 A HA 0.550 4.870 4.320 -0.000 0.000 0.245 3 A C 0.354 177.903 177.584 -0.058 0.000 1.072 3 A CA 0.427 52.441 52.037 -0.038 0.000 0.761 3 A CB 0.548 19.533 19.000 -0.025 0.000 1.004 3 A HN 0.547 nan 8.150 nan 0.000 0.499 4 Q N 2.778 122.528 119.800 -0.084 0.000 2.400 4 Q HA 0.506 4.846 4.340 -0.000 0.000 0.255 4 Q C -1.370 174.529 176.000 -0.168 0.000 1.008 4 Q CA -0.231 55.506 55.803 -0.110 0.000 0.841 4 Q CB 1.078 29.750 28.738 -0.109 0.000 1.220 4 Q HN 0.440 nan 8.270 nan 0.000 0.474 5 V N 4.285 124.109 119.914 -0.150 0.000 2.407 5 V HA 0.724 4.844 4.120 -0.000 0.000 0.278 5 V C -0.448 175.517 176.094 -0.215 0.000 1.037 5 V CA 0.059 62.247 62.300 -0.187 0.000 0.900 5 V CB 1.074 32.832 31.823 -0.108 0.000 0.983 5 V HN 0.968 nan 8.190 nan 0.000 0.459 6 S N 2.447 117.944 115.700 -0.338 0.000 2.547 6 S HA 0.436 4.906 4.470 -0.000 0.000 0.270 6 S C -0.435 174.094 174.600 -0.118 0.000 1.150 6 S CA -0.701 57.360 58.200 -0.232 0.000 0.850 6 S CB 1.516 64.586 63.200 -0.217 0.000 1.118 6 S HN 0.727 nan 8.310 nan 0.000 0.461 7 S N 1.024 116.732 115.700 0.014 0.000 2.784 7 S HA -0.020 4.450 4.470 -0.000 0.000 0.322 7 S C 0.262 175.005 174.600 0.237 0.000 1.234 7 S CA 0.198 58.458 58.200 0.100 0.000 1.064 7 S CB -0.410 62.824 63.200 0.056 0.000 0.787 7 S HN 0.643 nan 8.310 nan 0.000 0.506 8 Q N 2.357 122.294 119.800 0.229 0.000 2.373 8 Q HA 0.124 4.464 4.340 -0.000 0.000 0.255 8 Q C -0.042 175.983 176.000 0.041 0.000 0.980 8 Q CA -0.311 55.584 55.803 0.153 0.000 0.882 8 Q CB 0.515 29.299 28.738 0.076 0.000 1.249 8 Q HN 0.543 nan 8.270 nan 0.000 0.438 9 K N 2.315 122.700 120.400 -0.026 0.000 2.250 9 K HA 0.079 4.399 4.320 -0.000 0.000 0.277 9 K C -1.347 175.229 176.600 -0.040 0.000 1.091 9 K CA 0.225 56.491 56.287 -0.034 0.000 1.046 9 K CB -0.354 32.110 32.500 -0.060 0.000 0.982 9 K HN 0.269 nan 8.250 nan 0.000 0.429 10 V N 3.926 123.816 119.914 -0.040 0.000 2.850 10 V HA 0.534 4.654 4.120 -0.000 0.000 0.315 10 V C 1.354 177.393 176.094 -0.092 0.000 1.064 10 V CA -0.125 62.135 62.300 -0.067 0.000 0.979 10 V CB 1.664 33.432 31.823 -0.090 0.000 1.039 10 V HN 0.963 nan 8.190 nan 0.000 0.452 11 G N 1.766 110.494 108.800 -0.120 0.000 2.421 11 G HA2 0.379 4.339 3.960 -0.000 0.000 0.238 11 G HA3 0.379 4.339 3.960 -0.000 0.000 0.238 11 G C 0.126 174.875 174.900 -0.252 0.000 1.544 11 G CA 0.384 45.410 45.100 -0.123 0.000 1.044 11 G HN 1.296 nan 8.290 nan 0.000 0.537 12 A N -0.924 121.746 122.820 -0.250 0.000 3.365 12 A HA 0.528 4.848 4.320 -0.000 0.000 0.258 12 A C -0.110 177.456 177.584 -0.031 0.000 0.964 12 A CA -0.488 51.453 52.037 -0.161 0.000 0.988 12 A CB -0.201 18.780 19.000 -0.032 0.000 1.193 12 A HN 0.516 nan 8.150 nan 0.000 0.508 26 N N 5.074 123.823 118.700 0.082 0.000 2.972 26 N HA 0.569 5.309 4.740 -0.000 0.000 0.262 26 N C -1.689 173.941 175.510 0.200 0.000 1.478 26 N CA -0.714 52.422 53.050 0.144 0.000 0.841 26 N CB 2.027 40.553 38.487 0.065 0.000 1.512 26 N HN 0.409 nan 8.380 nan 0.000 0.548 27 Y N -1.585 118.715 120.300 -0.001 0.000 2.598 27 Y HA 0.734 5.284 4.550 -0.000 0.000 0.340 27 Y C -0.776 175.124 175.900 -0.001 0.000 1.038 27 Y CA -0.868 57.233 58.100 0.001 0.000 1.100 27 Y CB 0.946 39.407 38.460 0.002 0.000 1.281 27 Y HN 0.382 nan 8.280 nan 0.000 0.488 28 T N 1.641 116.182 114.554 -0.023 0.000 2.855 28 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 28 T C -1.020 173.643 174.700 -0.061 0.000 1.007 28 T CA -0.670 61.363 62.100 -0.111 0.000 1.009 28 T CB 1.356 70.207 68.868 -0.028 0.000 0.983 28 T HN 0.754 nan 8.240 nan 0.000 0.455 29 T N 2.554 117.033 114.554 -0.125 0.000 2.886 29 T HA 0.676 5.026 4.350 -0.000 0.000 0.292 29 T C -0.664 173.967 174.700 -0.114 0.000 1.012 29 T CA -0.539 61.507 62.100 -0.090 0.000 0.982 29 T CB 1.032 69.838 68.868 -0.103 0.000 1.018 29 T HN 0.431 nan 8.240 nan 0.000 0.451 30 I N 2.770 123.235 120.570 -0.175 0.000 2.498 30 I HA 0.332 4.502 4.170 -0.000 0.000 0.290 30 I C -0.582 175.226 176.117 -0.516 0.000 1.032 30 I CA -0.979 60.184 61.300 -0.229 0.000 1.073 30 I CB 1.960 39.917 38.000 -0.070 0.000 1.251 30 I HN 0.459 nan 8.210 nan 0.000 0.426 31 N N 5.073 123.583 118.700 -0.317 0.000 2.442 31 N HA 0.120 4.860 4.740 -0.000 0.000 0.265 31 N C 0.076 175.452 175.510 -0.224 0.000 1.138 31 N CA 0.020 52.892 53.050 -0.297 0.000 0.956 31 N CB 0.716 39.143 38.487 -0.101 0.000 1.067 31 N HN 0.423 nan 8.380 nan 0.000 0.474 32 Y N 1.007 121.278 120.300 -0.048 0.000 2.490 32 Y HA 0.151 4.701 4.550 -0.000 0.000 0.285 32 Y C 0.042 175.707 175.900 -0.393 0.000 1.117 32 Y CA 0.039 57.973 58.100 -0.277 0.000 1.262 32 Y CB -0.248 37.915 38.460 -0.495 0.000 1.043 32 Y HN 0.447 nan 8.280 nan 0.000 0.553 33 Y N -0.910 119.463 120.300 0.121 0.000 2.528 33 Y HA 0.412 4.962 4.550 -0.000 0.000 0.335 33 Y C 1.567 177.491 175.900 0.040 0.000 1.093 33 Y CA -1.485 56.662 58.100 0.077 0.000 1.134 33 Y CB 1.104 39.605 38.460 0.068 0.000 1.253 33 Y HN -0.333 nan 8.280 nan 0.000 0.478 34 R N 0.277 120.904 120.500 0.211 0.000 2.153 34 R HA -0.023 4.317 4.340 -0.000 0.000 0.218 34 R C -0.980 175.375 176.300 0.091 0.000 1.072 34 R CA 0.913 57.083 56.100 0.116 0.000 0.990 34 R CB -0.075 30.278 30.300 0.089 0.000 0.889 34 R HN 0.822 nan 8.270 nan 0.000 0.452 35 D N -0.132 120.326 120.400 0.095 0.000 2.280 35 D HA 0.087 4.727 4.640 -0.000 0.000 0.243 35 D C 0.640 176.962 176.300 0.037 0.000 1.129 35 D CA -0.150 53.878 54.000 0.047 0.000 0.848 35 D CB 1.987 42.799 40.800 0.020 0.000 1.107 35 D HN -0.066 nan 8.370 nan 0.000 0.471 36 S N 1.801 117.516 115.700 0.025 0.000 2.392 36 S HA -0.318 4.152 4.470 -0.000 0.000 0.232 36 S C 2.146 176.747 174.600 0.001 0.000 1.041 36 S CA 1.055 59.264 58.200 0.015 0.000 1.026 36 S CB -0.296 62.910 63.200 0.008 0.000 0.845 36 S HN 0.655 nan 8.310 nan 0.000 0.465 37 A N 1.601 124.415 122.820 -0.010 0.000 1.948 37 A HA -0.141 4.179 4.320 -0.000 0.000 0.220 37 A C 2.355 179.909 177.584 -0.049 0.000 1.177 37 A CA 1.952 53.973 52.037 -0.027 0.000 0.636 37 A CB -0.988 17.993 19.000 -0.032 0.000 0.815 37 A HN 0.463 nan 8.150 nan 0.000 0.449 38 S N 0.348 116.006 115.700 -0.070 0.000 2.442 38 S HA -0.064 4.406 4.470 -0.000 0.000 0.236 38 S C 0.673 175.242 174.600 -0.052 0.000 1.007 38 S CA 0.173 58.287 58.200 -0.143 0.000 0.965 38 S CB -0.488 62.554 63.200 -0.263 0.000 0.773 38 S HN 0.666 nan 8.310 nan 0.000 0.504 39 N N 2.118 120.819 118.700 0.001 0.000 2.407 39 N HA 0.249 4.989 4.740 -0.000 0.000 0.250 39 N C -0.042 175.472 175.510 0.007 0.000 1.236 39 N CA 0.196 53.255 53.050 0.016 0.000 0.879 39 N CB 0.250 38.742 38.487 0.008 0.000 1.088 39 N HN 0.268 nan 8.380 nan 0.000 0.450 40 A N 1.046 123.875 122.820 0.014 0.000 2.406 40 A HA 0.489 4.809 4.320 -0.000 0.000 0.243 40 A C 0.369 177.961 177.584 0.014 0.000 1.082 40 A CA -0.345 51.702 52.037 0.017 0.000 0.786 40 A CB -0.093 18.924 19.000 0.028 0.000 1.029 40 A HN 0.748 nan 8.150 nan 0.000 0.495 41 A N 1.158 123.986 122.820 0.013 0.000 2.524 41 A HA 0.428 4.748 4.320 -0.000 0.000 0.250 41 A C 0.732 178.329 177.584 0.023 0.000 1.078 41 A CA 0.677 52.721 52.037 0.011 0.000 0.761 41 A CB -0.239 18.764 19.000 0.006 0.000 1.012 41 A HN 1.356 nan 8.150 nan 0.000 0.500 42 S N 3.200 118.913 115.700 0.023 0.000 2.695 42 S HA 0.219 4.689 4.470 -0.000 0.000 0.275 42 S C -0.074 174.546 174.600 0.033 0.000 1.203 42 S CA -0.802 57.420 58.200 0.037 0.000 1.061 42 S CB -0.443 62.775 63.200 0.029 0.000 1.152 42 S HN 0.509 nan 8.310 nan 0.000 0.495 43 K N 4.171 124.592 120.400 0.035 0.000 2.264 43 K HA -0.031 4.289 4.320 -0.000 0.000 0.262 43 K C 0.825 177.442 176.600 0.029 0.000 1.247 43 K CA 0.665 56.966 56.287 0.024 0.000 1.248 43 K CB -0.764 31.745 32.500 0.015 0.000 0.825 43 K HN 0.753 nan 8.250 nan 0.000 0.468 58 K N 1.310 121.713 120.400 0.006 0.000 2.081 58 K HA -0.269 4.051 4.320 -0.000 0.000 0.222 58 K C 0.917 177.520 176.600 0.005 0.000 1.055 58 K CA 2.889 59.179 56.287 0.005 0.000 0.954 58 K CB -1.497 31.006 32.500 0.005 0.000 0.732 58 K HN 0.747 nan 8.250 nan 0.000 0.458 59 D N -0.444 119.960 120.400 0.006 0.000 2.473 59 D HA 0.288 4.928 4.640 -0.000 0.000 0.226 59 D C 1.183 177.488 176.300 0.007 0.000 1.089 59 D CA 0.207 54.211 54.000 0.006 0.000 0.883 59 D CB 1.135 41.939 40.800 0.007 0.000 1.029 59 D HN 0.284 nan 8.370 nan 0.000 0.517 60 V N 3.006 122.924 119.914 0.006 0.000 2.370 60 V HA -0.255 3.865 4.120 -0.000 0.000 0.252 60 V C 2.129 178.228 176.094 0.008 0.000 1.068 60 V CA 1.268 63.572 62.300 0.007 0.000 1.061 60 V CB -0.917 30.909 31.823 0.005 0.000 0.656 60 V HN 0.603 nan 8.190 nan 0.000 0.455 61 L N -0.407 120.820 121.223 0.007 0.000 2.261 61 L HA 0.014 4.354 4.340 -0.000 0.000 0.216 61 L C 1.358 178.235 176.870 0.011 0.000 1.114 61 L CA 1.057 55.902 54.840 0.008 0.000 0.777 61 L CB -0.319 41.744 42.059 0.007 0.000 0.910 61 L HN 0.341 nan 8.230 nan 0.000 0.440 62 I N 1.080 121.657 120.570 0.012 0.000 2.618 62 I HA -0.062 4.108 4.170 -0.000 0.000 0.284 62 I C 0.603 176.731 176.117 0.018 0.000 1.146 62 I CA 0.123 61.432 61.300 0.015 0.000 1.425 62 I CB 0.397 38.406 38.000 0.014 0.000 1.383 62 I HN -0.066 nan 8.210 nan 0.000 0.562 63 K N 5.453 125.866 120.400 0.022 0.000 2.383 63 K HA 0.078 4.398 4.320 -0.000 0.000 0.286 63 K C 1.166 177.783 176.600 0.027 0.000 1.051 63 K CA 0.122 56.425 56.287 0.027 0.000 0.974 63 K CB 0.491 33.013 32.500 0.035 0.000 0.968 63 K HN 0.635 nan 8.250 nan 0.000 0.475 64 T N 1.797 116.366 114.554 0.026 0.000 2.653 64 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 64 T C 0.884 175.603 174.700 0.031 0.000 1.035 64 T CA 2.133 64.248 62.100 0.025 0.000 1.154 64 T CB 0.061 68.942 68.868 0.022 0.000 0.862 64 T HN 0.690 nan 8.240 nan 0.000 0.441 65 A N 0.825 123.668 122.820 0.038 0.000 3.297 65 A HA 0.555 4.875 4.320 -0.000 0.000 0.304 65 A C -1.487 176.134 177.584 0.062 0.000 0.963 65 A CA -1.201 50.865 52.037 0.048 0.000 0.935 65 A CB 0.532 19.562 19.000 0.049 0.000 1.093 65 A HN 0.132 nan 8.150 nan 0.000 0.480 66 P HA -0.368 nan 4.420 nan 0.000 0.227 66 P C 1.711 179.058 177.300 0.078 0.000 1.141 66 P CA 1.967 65.103 63.100 0.060 0.000 0.964 66 P CB -0.189 31.542 31.700 0.051 0.000 0.784 67 M N -1.661 117.994 119.600 0.092 0.000 2.108 67 M HA -0.188 4.292 4.480 -0.000 0.000 0.257 67 M C 2.340 178.744 176.300 0.173 0.000 1.071 67 M CA 1.810 57.186 55.300 0.126 0.000 1.093 67 M CB -1.026 31.658 32.600 0.139 0.000 1.345 67 M HN -0.071 nan 8.290 nan 0.000 0.403 68 L N -0.219 121.106 121.223 0.171 0.000 2.265 68 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 68 L C 0.764 177.732 176.870 0.163 0.000 1.117 68 L CA 0.992 55.956 54.840 0.206 0.000 0.782 68 L CB -0.823 41.323 42.059 0.145 0.000 0.914 68 L HN 0.389 nan 8.230 nan 0.000 0.441 69 N N -0.591 118.179 118.700 0.117 0.000 2.346 69 N HA 0.039 4.779 4.740 -0.000 0.000 0.225 69 N C -0.207 175.334 175.510 0.053 0.000 1.144 69 N CA 0.001 53.110 53.050 0.099 0.000 0.837 69 N CB 0.365 38.900 38.487 0.079 0.000 1.069 69 N HN -0.019 nan 8.380 nan 0.000 0.487 70 S N 0.586 116.293 115.700 0.011 0.000 3.727 70 S HA -0.089 4.381 4.470 -0.000 0.000 0.444 70 S C -2.363 172.202 174.600 -0.058 0.000 0.867 70 S CA -0.343 57.805 58.200 -0.085 0.000 1.324 70 S CB -0.901 62.142 63.200 -0.262 0.000 0.890 70 S HN 0.347 nan 8.310 nan 0.000 0.599 71 P HA 0.252 nan 4.420 nan 0.000 0.274 71 P C 0.075 177.378 177.300 0.005 0.000 1.260 71 P CA -0.348 62.759 63.100 0.011 0.000 0.793 71 P CB 0.469 32.196 31.700 0.044 0.000 1.048 72 N N -0.645 118.070 118.700 0.025 0.000 2.489 72 N HA 0.309 5.049 4.740 -0.000 0.000 0.284 72 N C 1.318 176.877 175.510 0.082 0.000 1.158 72 N CA -0.808 52.262 53.050 0.034 0.000 0.965 72 N CB 0.930 39.434 38.487 0.029 0.000 1.195 72 N HN 0.268 nan 8.380 nan 0.000 0.506 73 I N 0.458 121.094 120.570 0.110 0.000 2.229 73 I HA -0.360 3.810 4.170 -0.000 0.000 0.250 73 I C 2.386 178.568 176.117 0.108 0.000 1.096 73 I CA 1.580 62.997 61.300 0.194 0.000 1.358 73 I CB -0.242 37.866 38.000 0.180 0.000 1.047 73 I HN 0.718 nan 8.210 nan 0.000 0.422 74 E N 0.921 121.158 120.200 0.062 0.000 2.017 74 E HA -0.227 4.123 4.350 -0.000 0.000 0.193 74 E C 2.171 178.789 176.600 0.031 0.000 0.997 74 E CA 1.261 57.681 56.400 0.032 0.000 0.804 74 E CB -0.124 29.590 29.700 0.022 0.000 0.757 74 E HN 0.486 nan 8.360 nan 0.000 0.448 75 A N -0.053 122.789 122.820 0.038 0.000 2.285 75 A HA -0.166 4.154 4.320 -0.000 0.000 0.214 75 A C 1.746 179.355 177.584 0.041 0.000 1.188 75 A CA 1.270 53.328 52.037 0.035 0.000 0.707 75 A CB -0.584 18.437 19.000 0.035 0.000 0.771 75 A HN 0.460 nan 8.150 nan 0.000 0.488 76 C N -2.293 117.037 119.300 0.049 0.000 3.642 76 C HA 0.566 5.026 4.460 -0.000 0.000 0.305 76 C C 1.238 176.235 174.990 0.012 0.000 1.492 76 C CA -0.474 58.573 59.018 0.047 0.000 1.809 76 C CB -0.797 26.996 27.740 0.089 0.000 2.639 76 C HN 1.374 nan 8.230 nan 0.000 0.672 77 G N 0.377 109.174 108.800 -0.006 0.000 2.788 77 G HA2 0.348 4.308 3.960 -0.000 0.000 0.249 77 G HA3 0.348 4.308 3.960 -0.000 0.000 0.249 77 G C -0.640 174.197 174.900 -0.105 0.000 1.008 77 G CA 0.360 45.434 45.100 -0.042 0.000 1.220 77 G HN 1.609 nan 8.290 nan 0.000 0.506 84 Q N 3.234 123.010 119.800 -0.040 0.000 2.462 84 Q HA 0.701 5.041 4.340 -0.000 0.000 0.247 84 Q C -0.350 175.624 176.000 -0.044 0.000 1.044 84 Q CA -0.437 55.335 55.803 -0.051 0.000 0.803 84 Q CB 1.687 30.403 28.738 -0.037 0.000 1.190 84 Q HN 0.650 nan 8.270 nan 0.000 0.507 85 L N 2.000 123.177 121.223 -0.078 0.000 2.385 85 L HA 0.443 4.783 4.340 -0.000 0.000 0.281 85 L C 0.270 177.147 176.870 0.012 0.000 1.106 85 L CA 0.088 54.905 54.840 -0.037 0.000 0.856 85 L CB 0.137 42.129 42.059 -0.113 0.000 1.186 85 L HN 0.481 nan 8.230 nan 0.000 0.453 86 T N 5.311 119.929 114.554 0.107 0.000 2.841 86 T HA 0.781 5.131 4.350 -0.000 0.000 0.285 86 T C -0.645 174.165 174.700 0.183 0.000 0.991 86 T CA -0.432 61.756 62.100 0.146 0.000 0.966 86 T CB 1.516 70.421 68.868 0.061 0.000 0.962 86 T HN 0.504 nan 8.240 nan 0.000 0.438 87 L N 3.197 124.551 121.223 0.218 0.000 2.372 87 L HA 0.581 4.921 4.340 -0.000 0.000 0.274 87 L C 1.177 178.057 176.870 0.017 0.000 0.988 87 L CA 0.276 55.137 54.840 0.035 0.000 0.833 87 L CB 0.581 42.509 42.059 -0.217 0.000 1.236 87 L HN 1.028 nan 8.230 nan 0.000 0.410 88 G N 4.751 113.555 108.800 0.008 0.000 2.611 88 G HA2 -0.429 3.531 3.960 -0.000 0.000 0.301 88 G HA3 -0.429 3.531 3.960 -0.000 0.000 0.301 88 G C 0.819 175.730 174.900 0.018 0.000 1.233 88 G CA 0.742 45.847 45.100 0.008 0.000 0.993 88 G HN 0.821 nan 8.290 nan 0.000 0.553 89 N N 1.032 119.739 118.700 0.011 0.000 2.494 89 N HA 0.111 4.851 4.740 -0.000 0.000 0.182 89 N C 1.265 176.787 175.510 0.020 0.000 1.076 89 N CA 1.417 54.474 53.050 0.013 0.000 0.908 89 N CB -0.454 38.037 38.487 0.008 0.000 0.967 89 N HN 1.293 nan 8.380 nan 0.000 0.449 90 S N -0.540 115.186 115.700 0.043 0.000 2.545 90 S HA 0.540 5.010 4.470 -0.000 0.000 0.275 90 S C -0.361 174.309 174.600 0.116 0.000 1.299 90 S CA -0.532 57.722 58.200 0.090 0.000 1.048 90 S CB 1.029 64.345 63.200 0.194 0.000 0.938 90 S HN 0.185 nan 8.310 nan 0.000 0.496 91 T N 3.393 117.927 114.554 -0.033 0.000 3.293 91 T HA 0.347 4.697 4.350 -0.000 0.000 0.320 91 T C -0.215 174.328 174.700 -0.262 0.000 0.995 91 T CA -0.521 61.511 62.100 -0.114 0.000 1.041 91 T CB 0.432 69.264 68.868 -0.060 0.000 1.058 91 T HN 0.679 nan 8.240 nan 0.000 0.453 92 I N 2.621 122.929 120.570 -0.437 0.000 2.496 92 I HA 0.201 4.371 4.170 -0.000 0.000 0.285 92 I C 0.646 176.621 176.117 -0.235 0.000 1.080 92 I CA -0.081 60.973 61.300 -0.411 0.000 1.404 92 I CB 0.710 38.323 38.000 -0.644 0.000 1.403 92 I HN 0.532 nan 8.210 nan 0.000 0.539 93 T N 4.144 118.598 114.554 -0.166 0.000 3.005 93 T HA 0.170 4.520 4.350 -0.000 0.000 0.323 93 T C 0.078 174.724 174.700 -0.091 0.000 1.131 93 T CA -0.283 61.754 62.100 -0.104 0.000 0.977 93 T CB 0.136 68.962 68.868 -0.070 0.000 1.055 93 T HN 0.573 nan 8.240 nan 0.000 0.562 94 T N 2.706 117.204 114.554 -0.093 0.000 2.791 94 T HA 0.234 4.584 4.350 -0.000 0.000 0.288 94 T C 1.329 176.010 174.700 -0.033 0.000 0.999 94 T CA -0.732 61.330 62.100 -0.062 0.000 0.952 94 T CB 1.180 69.991 68.868 -0.096 0.000 0.938 94 T HN 0.716 nan 8.240 nan 0.000 0.444 95 Q N 3.260 123.050 119.800 -0.017 0.000 2.096 95 Q HA 0.114 4.454 4.340 -0.000 0.000 0.197 95 Q C 0.617 176.616 176.000 -0.003 0.000 0.964 95 Q CA 0.775 56.572 55.803 -0.010 0.000 0.838 95 Q CB -0.120 28.614 28.738 -0.007 0.000 0.906 95 Q HN 0.595 nan 8.270 nan 0.000 0.444 96 E N -0.118 120.086 120.200 0.006 0.000 2.558 96 E HA 0.105 4.455 4.350 -0.000 0.000 0.255 96 E C -0.360 176.249 176.600 0.014 0.000 0.968 96 E CA 0.740 57.149 56.400 0.015 0.000 0.939 96 E CB 0.792 30.512 29.700 0.033 0.000 0.921 96 E HN 0.466 nan 8.360 nan 0.000 0.477 97 A N 3.444 126.272 122.820 0.013 0.000 1.626 97 A HA 0.270 4.590 4.320 -0.000 0.000 0.201 97 A C 1.703 179.296 177.584 0.015 0.000 1.920 97 A CA 0.557 52.603 52.037 0.014 0.000 1.499 97 A CB -0.704 18.303 19.000 0.011 0.000 1.498 97 A HN 0.604 nan 8.150 nan 0.000 0.333 98 A N 0.751 123.578 122.820 0.011 0.000 2.093 98 A HA -0.232 4.088 4.320 -0.000 0.000 0.222 98 A C 1.356 178.944 177.584 0.006 0.000 1.162 98 A CA 2.146 54.188 52.037 0.010 0.000 0.655 98 A CB -0.868 18.137 19.000 0.008 0.000 0.805 98 A HN 0.553 nan 8.150 nan 0.000 0.461 99 N N -0.150 118.555 118.700 0.007 0.000 2.485 99 N HA 0.043 4.783 4.740 -0.000 0.000 0.199 99 N C 0.182 175.689 175.510 -0.005 0.000 1.236 99 N CA 0.581 53.632 53.050 0.002 0.000 0.852 99 N CB -0.069 38.422 38.487 0.007 0.000 1.018 99 N HN 0.573 nan 8.380 nan 0.000 0.457 100 S N -1.438 114.261 115.700 -0.003 0.000 2.638 100 S HA 0.660 5.130 4.470 -0.000 0.000 0.298 100 S C -0.521 174.059 174.600 -0.034 0.000 1.111 100 S CA -0.765 57.429 58.200 -0.010 0.000 1.027 100 S CB 2.256 65.466 63.200 0.017 0.000 1.064 100 S HN -0.116 nan 8.310 nan 0.000 0.525 101 V N 1.536 121.411 119.914 -0.066 0.000 2.851 101 V HA 0.587 4.707 4.120 -0.000 0.000 0.307 101 V C -1.478 174.548 176.094 -0.115 0.000 1.129 101 V CA -0.674 61.573 62.300 -0.089 0.000 0.932 101 V CB 2.060 33.794 31.823 -0.147 0.000 1.024 101 V HN 0.928 nan 8.190 nan 0.000 0.426 102 V N 6.973 126.845 119.914 -0.069 0.000 2.320 102 V HA 0.594 4.714 4.120 -0.000 0.000 0.265 102 V C 0.965 177.004 176.094 -0.091 0.000 1.048 102 V CA -0.066 62.178 62.300 -0.093 0.000 0.865 102 V CB 0.967 32.823 31.823 0.056 0.000 1.043 102 V HN 1.237 nan 8.190 nan 0.000 0.474 103 A N 4.553 127.268 122.820 -0.176 0.000 2.591 103 A HA 0.201 4.521 4.320 -0.000 0.000 0.244 103 A C 0.498 178.065 177.584 -0.028 0.000 1.031 103 A CA 0.355 52.264 52.037 -0.213 0.000 0.767 103 A CB -0.816 18.035 19.000 -0.248 0.000 0.942 103 A HN 1.065 nan 8.150 nan 0.000 0.514 104 Y N 0.250 120.623 120.300 0.121 0.000 4.324 104 Y HA -0.278 4.272 4.550 -0.000 0.000 0.224 104 Y C 1.739 177.695 175.900 0.094 0.000 1.113 104 Y CA 1.500 59.671 58.100 0.118 0.000 1.887 104 Y CB -1.853 36.694 38.460 0.144 0.000 1.602 104 Y HN 2.184 nan 8.280 nan 0.000 0.654 105 G N -0.207 108.695 108.800 0.169 0.000 2.180 105 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.263 105 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.263 105 G C 0.390 175.395 174.900 0.176 0.000 0.989 105 G CA 0.439 45.628 45.100 0.149 0.000 0.692 105 G HN 0.533 nan 8.290 nan 0.000 0.526 106 R N -0.659 119.954 120.500 0.189 0.000 2.360 106 R HA 0.262 4.602 4.340 -0.000 0.000 0.318 106 R C -0.221 176.177 176.300 0.164 0.000 0.950 106 R CA -0.871 55.348 56.100 0.197 0.000 0.837 106 R CB 0.847 31.268 30.300 0.201 0.000 1.165 106 R HN 0.272 nan 8.270 nan 0.000 0.458 107 W N 6.231 127.559 121.300 0.047 0.000 2.238 107 W HA 0.173 4.833 4.660 0.000 0.000 0.321 107 W C -2.073 174.450 176.519 0.007 0.000 1.293 107 W CA -1.905 55.449 57.345 0.016 0.000 1.204 107 W CB 0.803 30.265 29.460 0.004 0.000 1.167 107 W HN 0.391 nan 8.180 nan 0.000 0.553 108 P HA -0.117 nan 4.420 nan 0.000 0.263 108 P C -0.889 176.439 177.300 0.047 0.000 1.168 108 P CA 1.014 64.038 63.100 -0.127 0.000 0.759 108 P CB 0.394 31.910 31.700 -0.308 0.000 0.782 109 E N 1.543 121.718 120.200 -0.042 0.000 2.390 109 E HA 0.295 4.645 4.350 -0.000 0.000 0.277 109 E C -1.274 175.243 176.600 -0.139 0.000 0.939 109 E CA -0.986 55.394 56.400 -0.034 0.000 0.769 109 E CB 0.693 30.442 29.700 0.082 0.000 1.251 109 E HN 0.180 nan 8.360 nan 0.000 0.450 110 Y N 1.164 121.464 120.300 0.000 0.000 2.425 110 Y HA 0.074 4.624 4.550 -0.000 0.000 0.331 110 Y C 0.814 176.689 175.900 -0.042 0.000 1.157 110 Y CA -0.510 57.565 58.100 -0.042 0.000 1.372 110 Y CB 0.604 39.041 38.460 -0.038 0.000 1.253 110 Y HN 0.472 nan 8.280 nan 0.000 0.536 111 L N 5.628 126.902 121.223 0.084 0.000 2.843 111 L HA -0.039 4.301 4.340 -0.000 0.000 0.296 111 L C -0.329 176.569 176.870 0.046 0.000 1.228 111 L CA 0.313 55.166 54.840 0.022 0.000 1.188 111 L CB -1.166 40.866 42.059 -0.045 0.000 1.475 111 L HN 0.398 nan 8.230 nan 0.000 0.433 112 R N 2.913 123.448 120.500 0.059 0.000 2.540 112 R HA 0.676 5.016 4.340 -0.000 0.000 0.287 112 R C -0.364 175.955 176.300 0.032 0.000 0.980 112 R CA -0.650 55.479 56.100 0.048 0.000 0.966 112 R CB 1.111 31.448 30.300 0.062 0.000 1.106 112 R HN 0.671 nan 8.270 nan 0.000 0.480 128 A N 2.681 125.554 122.820 0.088 0.000 2.797 128 A HA 0.726 5.046 4.320 -0.000 0.000 0.287 128 A C 1.400 179.053 177.584 0.115 0.000 1.369 128 A CA 0.739 52.820 52.037 0.074 0.000 0.968 128 A CB 0.086 19.114 19.000 0.047 0.000 1.069 128 A HN 1.420 nan 8.150 nan 0.000 0.571 129 A N -1.509 121.423 122.820 0.187 0.000 2.063 129 A HA 0.159 4.479 4.320 -0.000 0.000 0.211 129 A C 0.962 178.786 177.584 0.400 0.000 1.177 129 A CA 0.468 52.687 52.037 0.303 0.000 0.759 129 A CB -0.231 18.952 19.000 0.304 0.000 0.857 129 A HN 0.491 nan 8.150 nan 0.000 0.468 130 c N 2.615 121.378 118.600 0.272 0.000 2.400 130 c HA 0.522 5.092 4.570 -0.000 0.000 0.457 130 c C 1.024 175.067 174.090 -0.078 0.000 1.020 130 c CA -0.644 55.772 56.329 0.145 0.000 1.258 130 c CB -2.336 40.245 42.510 0.119 0.000 1.532 130 c HN 0.610 nan 8.230 nan 0.000 0.537 131 R N 0.032 120.405 120.500 -0.213 0.000 3.045 131 R HA 0.624 4.964 4.340 -0.000 0.000 0.245 131 R C -1.178 174.722 176.300 -0.667 0.000 1.333 131 R CA -0.807 55.036 56.100 -0.428 0.000 1.036 131 R CB 0.529 30.626 30.300 -0.339 0.000 1.340 131 R HN 0.112 nan 8.270 nan 0.000 0.488 132 F N 1.464 121.174 119.950 -0.400 0.000 2.466 132 F HA 0.281 4.808 4.527 -0.000 0.000 0.363 132 F C -0.548 174.986 175.800 -0.444 0.000 1.109 132 F CA 0.042 57.842 58.000 -0.334 0.000 1.161 132 F CB 0.280 39.167 39.000 -0.189 0.000 1.117 132 F HN 0.235 nan 8.300 nan 0.000 0.539 133 Y N 1.266 121.638 120.300 0.120 0.000 2.331 133 Y HA 0.359 4.909 4.550 -0.000 0.000 0.338 133 Y C 0.493 176.416 175.900 0.038 0.000 0.992 133 Y CA -0.988 57.147 58.100 0.058 0.000 1.121 133 Y CB 1.346 39.808 38.460 0.003 0.000 1.184 133 Y HN 0.354 nan 8.280 nan 0.000 0.469 134 T N 5.677 120.328 114.554 0.161 0.000 2.733 134 T HA 0.459 4.809 4.350 -0.000 0.000 0.294 134 T C 0.169 174.891 174.700 0.036 0.000 0.956 134 T CA -0.634 61.501 62.100 0.058 0.000 0.987 134 T CB -0.027 68.854 68.868 0.021 0.000 0.920 134 T HN 0.366 nan 8.240 nan 0.000 0.470 135 L N 1.918 123.124 121.223 -0.028 0.000 2.468 135 L HA 0.410 4.750 4.340 -0.000 0.000 0.254 135 L C 0.531 177.387 176.870 -0.023 0.000 1.171 135 L CA -1.187 53.632 54.840 -0.035 0.000 0.809 135 L CB 0.277 42.269 42.059 -0.112 0.000 1.155 135 L HN 0.437 nan 8.230 nan 0.000 0.473 136 D N 1.020 121.431 120.400 0.018 0.000 2.520 136 D HA 0.014 4.654 4.640 -0.000 0.000 0.243 136 D C 0.017 176.328 176.300 0.018 0.000 1.160 136 D CA 0.451 54.468 54.000 0.029 0.000 0.877 136 D CB 0.533 41.367 40.800 0.056 0.000 1.150 136 D HN 0.442 nan 8.370 nan 0.000 0.494 137 T N 1.690 116.241 114.554 -0.005 0.000 2.888 137 T HA 0.281 4.631 4.350 -0.000 0.000 0.301 137 T C 0.653 175.349 174.700 -0.007 0.000 1.001 137 T CA -0.590 61.493 62.100 -0.028 0.000 1.147 137 T CB 0.663 69.512 68.868 -0.032 0.000 0.931 137 T HN 0.221 nan 8.240 nan 0.000 0.541 138 V N 0.879 120.764 119.914 -0.048 0.000 2.966 138 V HA 0.829 4.949 4.120 -0.000 0.000 0.317 138 V C 0.114 176.195 176.094 -0.021 0.000 1.070 138 V CA -0.933 61.343 62.300 -0.040 0.000 1.008 138 V CB 2.009 33.718 31.823 -0.190 0.000 1.070 138 V HN 0.727 nan 8.190 nan 0.000 0.457 139 S N 2.231 117.999 115.700 0.113 0.000 2.474 139 S HA 0.429 4.899 4.470 -0.000 0.000 0.321 139 S C -1.112 173.746 174.600 0.430 0.000 1.080 139 S CA -0.486 57.832 58.200 0.198 0.000 1.106 139 S CB 0.512 63.814 63.200 0.171 0.000 0.984 139 S HN 0.897 nan 8.310 nan 0.000 0.464 140 W N 6.235 127.648 121.300 0.189 0.000 2.335 140 W HA 0.513 5.173 4.660 -0.000 0.000 0.306 140 W C 0.145 176.804 176.519 0.233 0.000 1.216 140 W CA -0.712 56.838 57.345 0.343 0.000 1.237 140 W CB 0.401 30.013 29.460 0.253 0.000 1.243 140 W HN 0.696 nan 8.180 nan 0.000 0.493 141 T N 1.948 116.826 114.554 0.540 0.000 2.907 141 T HA 0.300 4.650 4.350 -0.000 0.000 0.290 141 T C 0.795 175.600 174.700 0.174 0.000 1.066 141 T CA -0.861 61.364 62.100 0.207 0.000 1.012 141 T CB 1.878 70.856 68.868 0.183 0.000 1.184 141 T HN 0.464 nan 8.240 nan 0.000 0.522 142 K N 0.236 120.680 120.400 0.073 0.000 2.442 142 K HA -0.095 4.225 4.320 -0.000 0.000 0.199 142 K C 1.388 178.063 176.600 0.125 0.000 1.044 142 K CA 1.680 58.014 56.287 0.079 0.000 0.941 142 K CB 0.005 32.534 32.500 0.049 0.000 0.759 142 K HN 0.813 nan 8.250 nan 0.000 0.472 143 E N -0.964 119.318 120.200 0.137 0.000 2.660 143 E HA 0.097 4.447 4.350 -0.000 0.000 0.216 143 E C -0.732 175.928 176.600 0.100 0.000 0.986 143 E CA -0.322 56.145 56.400 0.111 0.000 1.037 143 E CB 0.635 30.382 29.700 0.078 0.000 1.041 143 E HN -0.086 nan 8.360 nan 0.000 0.480 144 S N 1.678 117.473 115.700 0.157 0.000 2.537 144 S HA 0.154 4.624 4.470 -0.000 0.000 0.286 144 S C 0.833 175.360 174.600 -0.121 0.000 1.299 144 S CA -0.520 57.681 58.200 0.001 0.000 1.067 144 S CB 0.987 64.212 63.200 0.041 0.000 0.864 144 S HN 0.233 nan 8.310 nan 0.000 0.494 145 R N 1.424 121.792 120.500 -0.220 0.000 2.254 145 R HA 0.308 4.648 4.340 -0.000 0.000 0.195 145 R C 1.132 177.270 176.300 -0.270 0.000 0.957 145 R CA 0.471 56.474 56.100 -0.161 0.000 1.024 145 R CB -0.448 29.824 30.300 -0.047 0.000 0.952 145 R HN 0.882 nan 8.270 nan 0.000 0.484 146 G N -0.411 108.028 108.800 -0.601 0.000 2.347 146 G HA2 0.107 4.067 3.960 -0.000 0.000 0.321 146 G HA3 0.107 4.067 3.960 -0.000 0.000 0.321 146 G C -1.766 172.842 174.900 -0.486 0.000 1.412 146 G CA -1.009 43.771 45.100 -0.534 0.000 0.990 146 G HN 0.024 nan 8.290 nan 0.000 0.637 147 W N 0.102 121.549 121.300 0.245 0.000 2.936 147 W HA 0.720 5.380 4.660 -0.000 0.000 0.338 147 W C -0.483 176.019 176.519 -0.029 0.000 1.121 147 W CA -1.231 56.055 57.345 -0.100 0.000 1.209 147 W CB 2.143 31.414 29.460 -0.315 0.000 1.420 147 W HN 0.888 nan 8.180 nan 0.000 0.516 148 W N 1.297 122.395 121.300 -0.338 0.000 3.033 148 W HA 0.696 5.356 4.660 -0.000 0.000 0.336 148 W C -1.768 174.481 176.519 -0.449 0.000 1.173 148 W CA -1.685 55.527 57.345 -0.222 0.000 1.185 148 W CB 1.190 30.481 29.460 -0.282 0.000 1.425 148 W HN 0.436 nan 8.180 nan 0.000 0.536 149 W N 1.201 122.704 121.300 0.338 0.000 3.062 149 W HA 0.472 5.132 4.660 -0.000 0.000 0.336 149 W C -1.015 175.652 176.519 0.245 0.000 1.224 149 W CA -1.092 56.367 57.345 0.190 0.000 1.159 149 W CB 2.858 32.342 29.460 0.039 0.000 1.454 149 W HN 0.168 nan 8.180 nan 0.000 0.569 150 K N 1.567 122.215 120.400 0.413 0.000 2.378 150 K HA 0.628 4.948 4.320 -0.000 0.000 0.252 150 K C -0.933 175.741 176.600 0.124 0.000 0.931 150 K CA -0.700 55.733 56.287 0.244 0.000 0.794 150 K CB 2.458 35.101 32.500 0.237 0.000 1.181 150 K HN 0.234 nan 8.250 nan 0.000 0.425 151 L N 3.981 125.221 121.223 0.029 0.000 2.317 151 L HA 0.415 4.755 4.340 -0.000 0.000 0.281 151 L C -1.631 175.287 176.870 0.079 0.000 1.024 151 L CA -2.050 52.737 54.840 -0.087 0.000 0.810 151 L CB 1.625 43.333 42.059 -0.585 0.000 1.240 151 L HN 0.488 nan 8.230 nan 0.000 0.427 152 P HA -0.101 nan 4.420 nan 0.000 0.233 152 P C 0.821 178.240 177.300 0.197 0.000 1.167 152 P CA 0.546 63.808 63.100 0.270 0.000 0.770 152 P CB 0.309 32.271 31.700 0.436 0.000 0.837 153 D N 1.402 121.891 120.400 0.148 0.000 2.192 153 D HA -0.258 4.382 4.640 -0.000 0.000 0.189 153 D C 1.944 178.333 176.300 0.148 0.000 1.007 153 D CA 2.233 56.318 54.000 0.142 0.000 0.859 153 D CB -0.800 40.077 40.800 0.127 0.000 0.936 153 D HN 0.063 nan 8.370 nan 0.000 0.447 154 A N -0.439 122.465 122.820 0.140 0.000 2.084 154 A HA -0.099 4.220 4.320 -0.000 0.000 0.221 154 A C 2.204 179.834 177.584 0.076 0.000 1.161 154 A CA 1.193 53.309 52.037 0.132 0.000 0.653 154 A CB -0.526 18.540 19.000 0.110 0.000 0.802 154 A HN 0.458 nan 8.150 nan 0.000 0.457 155 L N -0.768 120.507 121.223 0.086 0.000 2.640 155 L HA 0.063 4.403 4.340 -0.000 0.000 0.230 155 L C 2.281 179.271 176.870 0.199 0.000 1.123 155 L CA 0.415 55.294 54.840 0.066 0.000 0.900 155 L CB -0.281 41.766 42.059 -0.020 0.000 1.146 155 L HN 0.564 nan 8.230 nan 0.000 0.484 156 R N -0.284 120.337 120.500 0.203 0.000 2.200 156 R HA -0.145 4.195 4.340 -0.000 0.000 0.234 156 R C 0.249 176.692 176.300 0.239 0.000 1.127 156 R CA 1.480 57.709 56.100 0.215 0.000 0.989 156 R CB -0.249 30.200 30.300 0.249 0.000 0.869 156 R HN 0.282 nan 8.270 nan 0.000 0.459 157 D N 0.195 120.686 120.400 0.150 0.000 2.462 157 D HA 0.130 4.770 4.640 -0.000 0.000 0.221 157 D C -0.177 176.137 176.300 0.024 0.000 1.173 157 D CA -0.002 54.061 54.000 0.105 0.000 0.831 157 D CB 0.464 41.315 40.800 0.086 0.000 1.001 157 D HN 0.145 nan 8.370 nan 0.000 0.499 158 M N 1.155 120.714 119.600 -0.069 0.000 2.201 158 M HA 0.247 4.727 4.480 -0.000 0.000 0.345 158 M C 1.429 177.597 176.300 -0.220 0.000 1.352 158 M CA -0.085 55.009 55.300 -0.342 0.000 1.218 158 M CB 0.084 32.105 32.600 -0.965 0.000 1.512 158 M HN 0.063 nan 8.290 nan 0.000 0.447 159 G N 3.674 112.479 108.800 0.007 0.000 2.648 159 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.357 159 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.357 159 G C 0.979 175.966 174.900 0.145 0.000 1.342 159 G CA 0.428 45.611 45.100 0.138 0.000 0.978 159 G HN 0.693 nan 8.290 nan 0.000 0.532 160 L N -0.421 120.919 121.223 0.195 0.000 2.265 160 L HA 0.033 4.373 4.340 -0.000 0.000 0.215 160 L C 2.646 179.600 176.870 0.141 0.000 1.117 160 L CA 1.423 56.353 54.840 0.150 0.000 0.782 160 L CB -0.435 41.711 42.059 0.144 0.000 0.914 160 L HN 0.485 nan 8.230 nan 0.000 0.441 161 F N 1.028 121.037 119.950 0.098 0.000 2.069 161 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 161 F C 2.266 178.067 175.800 0.003 0.000 1.113 161 F CA 1.779 59.828 58.000 0.082 0.000 1.214 161 F CB -0.715 38.339 39.000 0.090 0.000 0.978 161 F HN -0.003 nan 8.300 nan 0.000 0.474 162 G N -0.260 108.558 108.800 0.030 0.000 2.446 162 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.217 162 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.217 162 G C 1.508 176.403 174.900 -0.008 0.000 1.168 162 G CA 0.758 45.849 45.100 -0.015 0.000 0.771 162 G HN 0.356 nan 8.290 nan 0.000 0.551 163 Q N 0.688 120.518 119.800 0.051 0.000 2.045 163 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 163 Q C 2.497 178.533 176.000 0.061 0.000 0.991 163 Q CA 1.155 57.036 55.803 0.130 0.000 0.851 163 Q CB -0.663 28.159 28.738 0.139 0.000 0.911 163 Q HN 0.486 nan 8.270 nan 0.000 0.418 164 N N 0.438 119.013 118.700 -0.209 0.000 2.149 164 N HA -0.160 4.580 4.740 -0.000 0.000 0.188 164 N C 1.823 176.971 175.510 -0.603 0.000 1.019 164 N CA 1.177 53.921 53.050 -0.510 0.000 0.857 164 N CB -0.210 37.609 38.487 -1.113 0.000 0.997 164 N HN 0.290 nan 8.380 nan 0.000 0.426 165 M N -0.261 118.959 119.600 -0.634 0.000 2.086 165 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 165 M C 1.302 177.458 176.300 -0.239 0.000 1.067 165 M CA 1.656 56.709 55.300 -0.411 0.000 1.116 165 M CB -0.103 32.144 32.600 -0.587 0.000 1.348 165 M HN 0.044 nan 8.290 nan 0.000 0.407 166 Y N -1.419 118.834 120.300 -0.078 0.000 2.519 166 Y HA -0.061 4.489 4.550 -0.000 0.000 0.287 166 Y C 1.483 177.292 175.900 -0.153 0.000 1.128 166 Y CA 0.867 58.913 58.100 -0.090 0.000 1.282 166 Y CB -0.373 38.001 38.460 -0.142 0.000 1.027 166 Y HN 0.272 nan 8.280 nan 0.000 0.551 167 Y N -1.271 119.014 120.300 -0.024 0.000 2.544 167 Y HA 0.016 4.566 4.550 -0.000 0.000 0.286 167 Y C 0.183 175.904 175.900 -0.298 0.000 1.141 167 Y CA 0.323 58.314 58.100 -0.181 0.000 1.299 167 Y CB -0.187 38.087 38.460 -0.310 0.000 1.030 167 Y HN 0.068 nan 8.280 nan 0.000 0.543 168 H N -2.822 116.331 119.070 0.139 0.000 2.524 168 H HA 0.124 4.680 4.556 -0.000 0.000 0.353 168 H C 0.338 175.790 175.328 0.207 0.000 1.136 168 H CA -0.895 55.252 56.048 0.164 0.000 1.193 168 H CB 0.902 30.763 29.762 0.165 0.000 1.558 168 H HN -0.094 nan 8.280 nan 0.000 0.515 169 Y N 2.449 122.873 120.300 0.206 0.000 2.097 169 Y HA -0.043 4.507 4.550 -0.000 0.000 0.282 169 Y C -0.296 175.693 175.900 0.148 0.000 1.152 169 Y CA 1.505 59.691 58.100 0.144 0.000 1.136 169 Y CB -0.111 38.418 38.460 0.114 0.000 0.975 169 Y HN 0.420 nan 8.280 nan 0.000 0.498 170 L N -0.115 121.097 121.223 -0.018 0.000 2.342 170 L HA 0.712 5.052 4.340 -0.000 0.000 0.271 170 L C 0.049 176.914 176.870 -0.009 0.000 1.008 170 L CA -0.482 54.258 54.840 -0.167 0.000 0.818 170 L CB 2.053 43.918 42.059 -0.323 0.000 1.296 170 L HN 0.153 nan 8.230 nan 0.000 0.427 171 G N 1.448 110.204 108.800 -0.073 0.000 2.742 171 G HA2 0.691 4.651 3.960 -0.000 0.000 0.296 171 G HA3 0.691 4.651 3.960 -0.000 0.000 0.296 171 G C -1.853 172.845 174.900 -0.337 0.000 1.436 171 G CA -0.703 44.278 45.100 -0.200 0.000 0.928 171 G HN 0.705 nan 8.290 nan 0.000 0.520 172 R N -0.756 119.401 120.500 -0.572 0.000 2.740 172 R HA 0.873 5.213 4.340 -0.000 0.000 0.273 172 R C -1.347 174.589 176.300 -0.607 0.000 0.998 172 R CA -0.808 54.865 56.100 -0.711 0.000 0.900 172 R CB 2.181 31.831 30.300 -1.084 0.000 1.223 172 R HN 0.934 nan 8.270 nan 0.000 0.466 173 S N 0.778 116.205 115.700 -0.455 0.000 2.543 173 S HA 0.609 5.079 4.470 -0.000 0.000 0.274 173 S C -0.885 173.495 174.600 -0.367 0.000 1.149 173 S CA -0.208 57.753 58.200 -0.400 0.000 0.866 173 S CB 1.498 64.479 63.200 -0.365 0.000 1.111 173 S HN 1.010 nan 8.310 nan 0.000 0.457 174 G N 1.327 109.840 108.800 -0.478 0.000 2.613 174 G HA2 0.753 4.712 3.960 -0.000 0.000 0.303 174 G HA3 0.753 4.712 3.960 -0.000 0.000 0.303 174 G C -1.843 172.545 174.900 -0.854 0.000 1.312 174 G CA -0.579 44.259 45.100 -0.436 0.000 1.036 174 G HN 0.638 nan 8.290 nan 0.000 0.513 175 Y N -2.124 118.031 120.300 -0.242 0.000 2.571 175 Y HA 0.487 5.037 4.550 -0.000 0.000 0.341 175 Y C -0.031 175.670 175.900 -0.332 0.000 1.076 175 Y CA -0.803 57.126 58.100 -0.284 0.000 1.029 175 Y CB 2.430 40.725 38.460 -0.275 0.000 1.308 175 Y HN 0.407 nan 8.280 nan 0.000 0.461 176 T N 2.638 117.120 114.554 -0.120 0.000 2.788 176 T HA 0.459 4.809 4.350 -0.000 0.000 0.296 176 T C -0.901 173.799 174.700 -0.000 0.000 1.009 176 T CA -0.551 61.488 62.100 -0.102 0.000 0.949 176 T CB 0.384 69.224 68.868 -0.047 0.000 0.946 176 T HN 0.325 nan 8.240 nan 0.000 0.453 177 V N 4.603 124.482 119.914 -0.060 0.000 2.348 177 V HA 0.260 4.380 4.120 -0.000 0.000 0.270 177 V C -0.159 175.941 176.094 0.010 0.000 1.037 177 V CA -0.685 61.579 62.300 -0.061 0.000 0.872 177 V CB 0.377 32.099 31.823 -0.168 0.000 1.002 177 V HN 0.796 nan 8.190 nan 0.000 0.464 178 H N 4.332 123.355 119.070 -0.077 0.000 2.691 178 H HA 0.507 5.063 4.556 -0.000 0.000 0.281 178 H C -0.665 174.576 175.328 -0.145 0.000 1.121 178 H CA -0.465 55.522 56.048 -0.103 0.000 1.254 178 H CB 1.150 30.849 29.762 -0.105 0.000 1.390 178 H HN 0.417 nan 8.280 nan 0.000 0.491 179 V N 6.083 125.775 119.914 -0.370 0.000 2.408 179 V HA 0.172 4.292 4.120 -0.000 0.000 0.267 179 V C 0.051 175.866 176.094 -0.464 0.000 1.047 179 V CA -0.332 61.743 62.300 -0.374 0.000 0.937 179 V CB 0.849 32.514 31.823 -0.262 0.000 0.999 179 V HN 0.759 nan 8.190 nan 0.000 0.472 180 Q N 3.537 123.097 119.800 -0.400 0.000 2.325 180 Q HA 0.614 4.954 4.340 -0.000 0.000 0.262 180 Q C -0.632 175.257 176.000 -0.185 0.000 0.968 180 Q CA -0.254 55.361 55.803 -0.314 0.000 0.877 180 Q CB 1.982 30.558 28.738 -0.271 0.000 1.253 180 Q HN 0.797 nan 8.270 nan 0.000 0.448 181 C N 4.912 124.138 119.300 -0.123 0.000 3.220 181 C HA 0.347 4.807 4.460 -0.000 0.000 0.352 181 C C -1.303 173.676 174.990 -0.020 0.000 1.031 181 C CA -0.765 58.225 59.018 -0.046 0.000 1.338 181 C CB -0.336 27.412 27.740 0.013 0.000 1.763 181 C HN 0.997 nan 8.230 nan 0.000 0.548 182 N N 3.759 122.429 118.700 -0.050 0.000 2.492 182 N HA 0.813 5.553 4.740 -0.000 0.000 0.289 182 N C -0.313 175.113 175.510 -0.140 0.000 1.133 182 N CA -0.172 52.836 53.050 -0.069 0.000 0.961 182 N CB 2.289 40.733 38.487 -0.071 0.000 1.186 182 N HN 0.806 nan 8.380 nan 0.000 0.493 183 A N 0.413 123.128 122.820 -0.175 0.000 2.566 183 A HA 0.668 4.988 4.320 -0.000 0.000 0.291 183 A C -0.376 177.071 177.584 -0.228 0.000 1.278 183 A CA -0.521 51.284 52.037 -0.386 0.000 0.711 183 A CB 0.544 19.268 19.000 -0.460 0.000 1.332 183 A HN 0.850 nan 8.150 nan 0.000 0.478 184 S N -0.726 114.886 115.700 -0.146 0.000 2.730 184 S HA 0.386 4.856 4.470 -0.000 0.000 0.284 184 S C 0.375 175.119 174.600 0.239 0.000 1.153 184 S CA -0.233 58.074 58.200 0.178 0.000 0.995 184 S CB 0.947 64.382 63.200 0.391 0.000 1.058 184 S HN 0.580 nan 8.310 nan 0.000 0.552 185 K N -0.434 120.088 120.400 0.203 0.000 2.515 185 K HA 0.049 4.369 4.320 -0.000 0.000 0.196 185 K C 0.247 176.759 176.600 -0.147 0.000 1.038 185 K CA 1.027 57.310 56.287 -0.006 0.000 0.967 185 K CB -0.387 32.020 32.500 -0.155 0.000 0.780 185 K HN 0.618 nan 8.250 nan 0.000 0.483 186 F N -0.658 119.414 119.950 0.203 0.000 2.695 186 F HA 0.139 4.666 4.527 -0.000 0.000 0.303 186 F C 0.581 176.533 175.800 0.253 0.000 1.091 186 F CA -0.385 57.733 58.000 0.196 0.000 1.300 186 F CB 0.043 39.171 39.000 0.213 0.000 1.071 186 F HN -0.069 nan 8.300 nan 0.000 0.578 187 H N 0.615 119.902 119.070 0.361 0.000 2.495 187 H HA 0.510 5.066 4.556 -0.000 0.000 0.350 187 H C 0.025 175.423 175.328 0.117 0.000 1.202 187 H CA -0.540 55.662 56.048 0.256 0.000 1.322 187 H CB 0.760 30.552 29.762 0.048 0.000 1.544 187 H HN 0.130 nan 8.280 nan 0.000 0.565 188 Q N 0.287 120.201 119.800 0.191 0.000 2.462 188 Q HA 0.684 5.024 4.340 -0.000 0.000 0.285 188 Q C -1.009 175.045 176.000 0.089 0.000 1.035 188 Q CA -1.191 54.684 55.803 0.119 0.000 0.799 188 Q CB 2.979 31.772 28.738 0.093 0.000 1.452 188 Q HN 0.907 nan 8.270 nan 0.000 0.404 189 G N -0.446 108.441 108.800 0.144 0.000 2.350 189 G HA2 0.513 4.473 3.960 -0.000 0.000 0.304 189 G HA3 0.513 4.473 3.960 -0.000 0.000 0.304 189 G C -1.970 173.144 174.900 0.357 0.000 1.421 189 G CA -0.297 44.958 45.100 0.258 0.000 0.934 189 G HN 1.112 nan 8.290 nan 0.000 0.632 190 A N 0.162 123.239 122.820 0.428 0.000 2.429 190 A HA 0.765 5.085 4.320 -0.000 0.000 0.289 190 A C -0.731 176.967 177.584 0.190 0.000 1.043 190 A CA -0.479 51.729 52.037 0.285 0.000 0.722 190 A CB 1.132 20.246 19.000 0.190 0.000 1.243 190 A HN 1.068 nan 8.150 nan 0.000 0.415 191 L N 2.450 123.708 121.223 0.059 0.000 2.275 191 L HA 0.577 4.917 4.340 -0.000 0.000 0.288 191 L C 0.897 177.723 176.870 -0.073 0.000 1.046 191 L CA -0.546 54.230 54.840 -0.107 0.000 0.805 191 L CB 1.853 43.765 42.059 -0.244 0.000 1.193 191 L HN 0.854 nan 8.230 nan 0.000 0.426 192 G N 3.405 112.154 108.800 -0.084 0.000 2.393 192 G HA2 0.444 4.404 3.960 -0.000 0.000 0.311 192 G HA3 0.444 4.404 3.960 -0.000 0.000 0.311 192 G C -0.434 174.145 174.900 -0.535 0.000 1.067 192 G CA -0.262 44.657 45.100 -0.301 0.000 1.000 192 G HN 0.332 nan 8.290 nan 0.000 0.422 193 V N 3.831 123.403 119.914 -0.569 0.000 2.334 193 V HA 0.345 4.465 4.120 -0.000 0.000 0.267 193 V C -0.656 175.118 176.094 -0.533 0.000 1.040 193 V CA -0.510 61.556 62.300 -0.389 0.000 0.866 193 V CB -0.152 31.546 31.823 -0.208 0.000 1.019 193 V HN 0.517 nan 8.190 nan 0.000 0.468 194 F N 3.006 122.965 119.950 0.016 0.000 2.411 194 F HA 0.699 5.226 4.527 -0.000 0.000 0.352 194 F C 0.584 176.395 175.800 0.018 0.000 1.123 194 F CA -0.719 57.293 58.000 0.021 0.000 1.044 194 F CB 1.554 40.533 39.000 -0.035 0.000 1.135 194 F HN 0.468 nan 8.300 nan 0.000 0.461 195 A N 3.891 126.819 122.820 0.181 0.000 2.366 195 A HA 0.645 4.965 4.320 -0.000 0.000 0.322 195 A C -0.755 176.991 177.584 0.269 0.000 1.397 195 A CA -0.562 51.552 52.037 0.128 0.000 0.984 195 A CB -0.103 18.812 19.000 -0.141 0.000 1.149 195 A HN 0.555 nan 8.150 nan 0.000 0.540 196 V N 5.539 125.515 119.914 0.104 0.000 2.364 196 V HA 0.306 4.426 4.120 -0.000 0.000 0.272 196 V C -2.202 173.815 176.094 -0.128 0.000 1.036 196 V CA -1.766 60.345 62.300 -0.315 0.000 0.880 196 V CB 1.199 32.616 31.823 -0.677 0.000 0.991 196 V HN 0.730 nan 8.190 nan 0.000 0.460 197 P HA 0.108 nan 4.420 nan 0.000 0.268 197 P C 0.131 177.240 177.300 -0.318 0.000 1.204 197 P CA 0.215 62.971 63.100 -0.573 0.000 0.768 197 P CB 0.348 31.749 31.700 -0.499 0.000 0.842 198 E N 0.661 120.697 120.200 -0.275 0.000 2.238 198 E HA -0.249 4.101 4.350 -0.000 0.000 0.219 198 E C 0.104 176.627 176.600 -0.129 0.000 1.275 198 E CA 0.633 56.956 56.400 -0.128 0.000 0.714 198 E CB -1.682 27.969 29.700 -0.083 0.000 1.154 198 E HN 0.629 nan 8.360 nan 0.000 0.363 199 M N 0.854 120.357 119.600 -0.162 0.000 3.588 199 M HA -0.002 4.478 4.480 -0.000 0.000 0.197 199 M C -0.266 175.891 176.300 -0.239 0.000 1.623 199 M CA 0.116 55.290 55.300 -0.210 0.000 1.718 199 M CB -0.312 32.162 32.600 -0.210 0.000 1.187 199 M HN 0.171 nan 8.290 nan 0.000 0.541 200 C N 3.894 123.081 119.300 -0.189 0.000 2.651 200 C HA 0.234 4.694 4.460 -0.000 0.000 0.410 200 C C 0.493 175.284 174.990 -0.331 0.000 1.372 200 C CA -0.598 58.299 59.018 -0.201 0.000 1.707 200 C CB -1.167 26.508 27.740 -0.107 0.000 2.501 200 C HN 0.655 nan 8.230 nan 0.000 0.598 201 L N 3.461 124.345 121.223 -0.565 0.000 2.331 201 L HA 0.607 4.947 4.340 -0.000 0.000 0.275 201 L C 0.725 177.314 176.870 -0.470 0.000 1.022 201 L CA -0.362 54.011 54.840 -0.779 0.000 0.812 201 L CB 0.959 42.048 42.059 -1.616 0.000 1.257 201 L HN 0.747 nan 8.230 nan 0.000 0.435 202 A N 1.319 123.965 122.820 -0.290 0.000 2.407 202 A HA 0.557 4.877 4.320 -0.000 0.000 0.248 202 A C 0.420 178.088 177.584 0.141 0.000 1.082 202 A CA 0.208 52.203 52.037 -0.070 0.000 0.785 202 A CB 0.341 19.274 19.000 -0.113 0.000 1.020 202 A HN 0.804 nan 8.150 nan 0.000 0.489 203 G N -0.087 108.834 108.800 0.203 0.000 2.522 203 G HA2 0.419 4.379 3.960 -0.000 0.000 0.304 203 G HA3 0.419 4.379 3.960 -0.000 0.000 0.304 203 G C 0.246 175.322 174.900 0.293 0.000 1.210 203 G CA 0.283 45.541 45.100 0.264 0.000 0.960 203 G HN 0.759 nan 8.290 nan 0.000 0.497 204 D N -1.541 118.991 120.400 0.220 0.000 2.347 204 D HA -0.005 4.635 4.640 -0.000 0.000 0.215 204 D C 1.139 177.539 176.300 0.166 0.000 0.976 204 D CA 0.252 54.357 54.000 0.175 0.000 0.884 204 D CB 0.117 40.944 40.800 0.046 0.000 0.915 204 D HN 0.210 nan 8.370 nan 0.000 0.526 205 S N -0.637 115.182 115.700 0.197 0.000 2.541 205 S HA 0.295 4.765 4.470 -0.000 0.000 0.283 205 S C 0.275 175.002 174.600 0.211 0.000 1.196 205 S CA -0.722 57.579 58.200 0.168 0.000 1.062 205 S CB 0.810 64.092 63.200 0.136 0.000 1.009 205 S HN 0.173 nan 8.310 nan 0.000 0.502 206 N N 1.160 119.963 118.700 0.172 0.000 2.205 206 N HA 0.060 4.800 4.740 -0.000 0.000 0.201 206 N C 0.998 176.557 175.510 0.082 0.000 1.128 206 N CA 0.455 53.595 53.050 0.150 0.000 0.867 206 N CB 0.430 39.025 38.487 0.181 0.000 0.996 206 N HN 0.787 nan 8.380 nan 0.000 0.503 207 T N -3.672 110.919 114.554 0.063 0.000 3.015 207 T HA 0.069 4.418 4.350 -0.000 0.000 0.250 207 T C 0.749 175.456 174.700 0.011 0.000 1.057 207 T CA 0.160 62.279 62.100 0.031 0.000 1.066 207 T CB 0.721 69.602 68.868 0.022 0.000 0.959 207 T HN -0.097 nan 8.240 nan 0.000 0.488 208 T N 1.858 116.423 114.554 0.017 0.000 2.900 208 T HA 0.591 4.941 4.350 -0.000 0.000 0.303 208 T C -0.891 173.822 174.700 0.021 0.000 1.142 208 T CA -0.270 61.818 62.100 -0.021 0.000 1.007 208 T CB 1.943 70.744 68.868 -0.112 0.000 1.156 208 T HN 0.465 nan 8.240 nan 0.000 0.490 209 T N 1.054 115.613 114.554 0.010 0.000 2.949 209 T HA 0.566 4.916 4.350 -0.000 0.000 0.287 209 T C 0.866 175.609 174.700 0.073 0.000 1.034 209 T CA -0.864 61.262 62.100 0.045 0.000 1.018 209 T CB 0.814 69.695 68.868 0.022 0.000 1.135 209 T HN 0.932 nan 8.240 nan 0.000 0.532 210 M N 0.547 120.200 119.600 0.088 0.000 2.333 210 M HA -0.223 4.257 4.480 -0.000 0.000 0.199 210 M C 0.468 176.861 176.300 0.155 0.000 0.376 210 M CA 0.779 56.139 55.300 0.099 0.000 0.440 210 M CB -1.820 30.819 32.600 0.065 0.000 1.506 210 M HN 0.898 nan 8.290 nan 0.000 0.889 211 H N -1.211 117.872 119.070 0.022 0.000 2.672 211 H HA 0.169 4.725 4.556 -0.000 0.000 0.277 211 H C -0.020 175.293 175.328 -0.025 0.000 1.074 211 H CA 0.009 56.060 56.048 0.005 0.000 1.173 211 H CB 0.669 30.436 29.762 0.009 0.000 1.558 211 H HN 0.308 nan 8.280 nan 0.000 0.539 212 T N 1.902 116.402 114.554 -0.090 0.000 2.867 212 T HA -0.034 4.316 4.350 -0.000 0.000 0.297 212 T C 0.561 175.106 174.700 -0.257 0.000 0.989 212 T CA 0.103 62.040 62.100 -0.271 0.000 1.159 212 T CB 0.681 69.244 68.868 -0.509 0.000 0.928 212 T HN 0.391 nan 8.240 nan 0.000 0.538 213 S N 3.690 119.231 115.700 -0.264 0.000 2.568 213 S HA 0.036 4.506 4.470 -0.000 0.000 0.282 213 S C 1.097 175.655 174.600 -0.071 0.000 1.338 213 S CA -0.732 57.380 58.200 -0.145 0.000 1.045 213 S CB 0.158 63.284 63.200 -0.123 0.000 0.873 213 S HN 0.689 nan 8.310 nan 0.000 0.516 214 Y N 2.843 123.094 120.300 -0.081 0.000 2.139 214 Y HA -0.288 4.262 4.550 -0.000 0.000 0.282 214 Y C 2.351 178.237 175.900 -0.023 0.000 1.179 214 Y CA 2.518 60.601 58.100 -0.029 0.000 1.161 214 Y CB -0.564 37.898 38.460 0.004 0.000 0.970 214 Y HN 0.777 nan 8.280 nan 0.000 0.511 215 Q N 0.185 120.070 119.800 0.142 0.000 2.050 215 Q HA -0.184 4.156 4.340 -0.000 0.000 0.202 215 Q C 1.961 177.932 176.000 -0.049 0.000 0.980 215 Q CA 1.934 57.777 55.803 0.066 0.000 0.840 215 Q CB -0.342 28.430 28.738 0.057 0.000 0.898 215 Q HN 0.465 nan 8.270 nan 0.000 0.424 216 N N -0.457 118.178 118.700 -0.108 0.000 2.300 216 N HA -0.001 4.739 4.740 -0.000 0.000 0.179 216 N C 1.368 176.756 175.510 -0.202 0.000 1.016 216 N CA 1.107 54.064 53.050 -0.156 0.000 0.876 216 N CB -0.188 38.163 38.487 -0.227 0.000 0.979 216 N HN 0.269 nan 8.380 nan 0.000 0.432 217 A N 0.665 123.304 122.820 -0.301 0.000 2.015 217 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 217 A C 0.732 178.368 177.584 0.087 0.000 1.163 217 A CA 0.815 52.726 52.037 -0.210 0.000 0.646 217 A CB -0.061 18.818 19.000 -0.201 0.000 0.806 217 A HN 0.172 nan 8.150 nan 0.000 0.448 218 N N 0.303 118.957 118.700 -0.077 0.000 2.936 218 N HA 0.230 4.970 4.740 -0.000 0.000 0.243 218 N C -2.433 173.081 175.510 0.007 0.000 1.149 218 N CA -1.160 51.862 53.050 -0.047 0.000 0.914 218 N CB 1.200 39.531 38.487 -0.259 0.000 1.179 218 N HN 0.169 nan 8.380 nan 0.000 0.502 219 P HA 0.001 nan 4.420 nan 0.000 0.230 219 P C 1.029 178.333 177.300 0.008 0.000 1.158 219 P CA 0.719 63.805 63.100 -0.024 0.000 0.769 219 P CB 0.436 32.035 31.700 -0.168 0.000 0.807 220 G N 1.244 110.082 108.800 0.062 0.000 2.601 220 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.261 220 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.261 220 G C 0.969 175.949 174.900 0.133 0.000 1.289 220 G CA 0.363 45.523 45.100 0.100 0.000 0.920 220 G HN 0.348 nan 8.290 nan 0.000 0.571 221 E N 0.296 120.578 120.200 0.136 0.000 2.147 221 E HA -0.293 4.057 4.350 -0.000 0.000 0.199 221 E C 2.274 179.020 176.600 0.244 0.000 1.005 221 E CA 1.966 58.472 56.400 0.176 0.000 0.810 221 E CB -0.254 29.506 29.700 0.101 0.000 0.736 221 E HN 0.621 nan 8.360 nan 0.000 0.460 222 K N -0.267 120.202 120.400 0.114 0.000 2.077 222 K HA -0.240 4.080 4.320 -0.000 0.000 0.213 222 K C 1.304 177.882 176.600 -0.035 0.000 1.051 222 K CA 2.235 58.548 56.287 0.044 0.000 0.929 222 K CB -0.224 32.262 32.500 -0.023 0.000 0.715 222 K HN 0.398 nan 8.250 nan 0.000 0.451 223 G N -1.499 107.167 108.800 -0.225 0.000 1.676 223 G HA2 0.149 4.109 3.960 -0.000 0.000 0.199 223 G HA3 0.149 4.109 3.960 -0.000 0.000 0.199 223 G C 0.244 174.424 174.900 -1.199 0.000 1.990 223 G CA -0.142 44.462 45.100 -0.827 0.000 1.393 223 G HN 1.052 nan 8.290 nan 0.000 0.449 224 G N -1.409 106.726 108.800 -1.110 0.000 2.906 224 G HA2 0.500 4.460 3.960 -0.000 0.000 0.686 224 G HA3 0.500 4.460 3.960 -0.000 0.000 0.686 224 G C -0.577 173.381 174.900 -1.569 0.000 1.170 224 G CA 0.727 44.838 45.100 -1.648 0.000 0.775 224 G HN 1.777 nan 8.290 nan 0.000 0.630 225 T N 1.011 115.079 114.554 -0.810 0.000 2.906 225 T HA 0.736 5.086 4.350 -0.000 0.000 0.295 225 T C -0.356 174.276 174.700 -0.113 0.000 1.061 225 T CA -0.460 61.390 62.100 -0.416 0.000 1.000 225 T CB 0.821 69.517 68.868 -0.286 0.000 1.103 225 T HN 0.552 nan 8.240 nan 0.000 0.486 226 F N 1.496 121.442 119.950 -0.006 0.000 2.371 226 F HA 0.576 5.103 4.527 -0.000 0.000 0.329 226 F C 1.204 176.981 175.800 -0.039 0.000 1.107 226 F CA -0.173 57.838 58.000 0.019 0.000 1.137 226 F CB 1.668 40.648 39.000 -0.032 0.000 1.214 226 F HN 0.345 nan 8.300 nan 0.000 0.536 227 T N 0.127 114.823 114.554 0.236 0.000 2.908 227 T HA 0.484 4.834 4.350 -0.000 0.000 0.290 227 T C 0.889 175.675 174.700 0.144 0.000 1.034 227 T CA -0.228 61.955 62.100 0.137 0.000 1.010 227 T CB 1.467 70.401 68.868 0.110 0.000 1.068 227 T HN 0.702 nan 8.240 nan 0.000 0.481 228 G N 1.464 110.334 108.800 0.117 0.000 2.572 228 G HA2 0.258 4.218 3.960 -0.000 0.000 0.216 228 G HA3 0.258 4.218 3.960 -0.000 0.000 0.216 228 G C 0.331 175.345 174.900 0.191 0.000 1.133 228 G CA 0.775 45.963 45.100 0.146 0.000 0.791 228 G HN 0.979 nan 8.290 nan 0.000 0.538 229 T N -2.788 111.863 114.554 0.162 0.000 2.956 229 T HA 0.476 4.825 4.350 -0.000 0.000 0.312 229 T C -1.237 173.581 174.700 0.196 0.000 1.151 229 T CA -0.937 61.274 62.100 0.185 0.000 1.024 229 T CB 2.045 70.992 68.868 0.131 0.000 1.140 229 T HN -0.031 nan 8.240 nan 0.000 0.473 230 F N 3.021 123.005 119.950 0.058 0.000 2.502 230 F HA 0.456 4.983 4.527 -0.000 0.000 0.371 230 F C 0.184 176.005 175.800 0.034 0.000 1.083 230 F CA -0.237 57.784 58.000 0.035 0.000 1.174 230 F CB 0.344 39.358 39.000 0.023 0.000 1.096 230 F HN 0.678 nan 8.300 nan 0.000 0.545 231 T N 8.106 122.296 114.554 -0.607 0.000 3.053 231 T HA 0.263 4.613 4.350 -0.000 0.000 0.363 231 T C -2.616 171.631 174.700 -0.755 0.000 1.239 231 T CA -1.417 60.357 62.100 -0.543 0.000 1.071 231 T CB 0.376 69.100 68.868 -0.240 0.000 1.089 231 T HN 0.309 nan 8.240 nan 0.000 0.527 232 P HA 0.041 nan 4.420 nan 0.000 0.258 232 P C -0.079 177.077 177.300 -0.239 0.000 1.187 232 P CA -0.124 62.647 63.100 -0.548 0.000 0.767 232 P CB 0.277 31.836 31.700 -0.235 0.000 0.770 233 D N 3.518 123.830 120.400 -0.146 0.000 2.380 233 D HA -0.056 4.584 4.640 -0.000 0.000 0.270 233 D C 0.830 177.111 176.300 -0.033 0.000 1.363 233 D CA 0.313 54.273 54.000 -0.068 0.000 1.057 233 D CB -0.426 40.358 40.800 -0.027 0.000 1.096 233 D HN 0.112 nan 8.370 nan 0.000 0.524 234 N N 3.079 121.755 118.700 -0.039 0.000 2.515 234 N HA -0.120 4.620 4.740 -0.000 0.000 0.185 234 N C 0.338 175.844 175.510 -0.007 0.000 1.109 234 N CA 0.146 53.185 53.050 -0.018 0.000 0.903 234 N CB -0.198 38.276 38.487 -0.021 0.000 0.969 234 N HN 0.580 nan 8.380 nan 0.000 0.450 235 N N 2.137 120.832 118.700 -0.008 0.000 2.892 235 N HA -0.047 4.693 4.740 -0.000 0.000 0.300 235 N C 1.010 176.526 175.510 0.009 0.000 1.211 235 N CA -0.333 52.716 53.050 -0.001 0.000 1.158 235 N CB 0.260 38.745 38.487 -0.004 0.000 1.455 235 N HN 0.036 nan 8.380 nan 0.000 0.524 236 Q N 0.273 120.079 119.800 0.010 0.000 2.066 236 Q HA -0.305 4.035 4.340 -0.000 0.000 0.216 236 Q C 2.107 178.117 176.000 0.018 0.000 1.035 236 Q CA 2.695 58.507 55.803 0.015 0.000 0.897 236 Q CB -1.024 27.720 28.738 0.009 0.000 1.010 236 Q HN 0.794 nan 8.270 nan 0.000 0.416 237 T N -2.789 111.773 114.554 0.012 0.000 2.737 237 T HA -0.048 4.302 4.350 -0.000 0.000 0.265 237 T C 1.337 176.047 174.700 0.017 0.000 1.038 237 T CA 1.430 63.538 62.100 0.012 0.000 1.144 237 T CB -0.089 68.783 68.868 0.007 0.000 0.866 237 T HN 0.108 nan 8.240 nan 0.000 0.434 238 S N 2.985 118.693 115.700 0.014 0.000 2.080 238 S HA 0.481 4.951 4.470 -0.000 0.000 0.162 238 S C -2.897 171.710 174.600 0.011 0.000 1.618 238 S CA -1.682 56.526 58.200 0.012 0.000 1.200 238 S CB 0.189 63.392 63.200 0.004 0.000 1.135 238 S HN 0.290 nan 8.310 nan 0.000 0.455 239 P HA 0.135 nan 4.420 nan 0.000 0.264 239 P C 0.756 178.052 177.300 -0.007 0.000 1.193 239 P CA 0.044 63.160 63.100 0.027 0.000 0.763 239 P CB 0.678 32.426 31.700 0.080 0.000 0.810 240 A N 4.408 127.219 122.820 -0.016 0.000 2.024 240 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 240 A C 1.185 178.727 177.584 -0.070 0.000 1.164 240 A CA 0.736 52.751 52.037 -0.037 0.000 0.643 240 A CB -0.879 18.102 19.000 -0.032 0.000 0.806 240 A HN 0.610 nan 8.150 nan 0.000 0.451 241 R N -1.213 119.238 120.500 -0.081 0.000 3.322 241 R HA -0.202 4.138 4.340 -0.000 0.000 0.253 241 R C -0.072 176.113 176.300 -0.192 0.000 0.987 241 R CA 1.242 57.238 56.100 -0.173 0.000 0.666 241 R CB -1.499 28.634 30.300 -0.278 0.000 1.072 241 R HN 0.918 nan 8.270 nan 0.000 0.447 242 R N -1.452 118.967 120.500 -0.135 0.000 2.855 242 R HA 0.465 4.805 4.340 -0.000 0.000 0.266 242 R C -0.691 175.561 176.300 -0.080 0.000 1.034 242 R CA -1.005 54.980 56.100 -0.190 0.000 0.944 242 R CB 0.690 30.917 30.300 -0.121 0.000 1.219 242 R HN -0.151 nan 8.270 nan 0.000 0.474 243 F N 0.080 120.035 119.950 0.009 0.000 2.496 243 F HA 0.270 4.797 4.527 -0.000 0.000 0.344 243 F C 0.656 176.470 175.800 0.024 0.000 1.155 243 F CA -0.927 57.066 58.000 -0.011 0.000 1.302 243 F CB 0.799 39.745 39.000 -0.091 0.000 1.159 243 F HN 0.457 nan 8.300 nan 0.000 0.595 244 C N 5.571 125.039 119.300 0.280 0.000 3.002 244 C HA 0.454 4.914 4.460 -0.000 0.000 0.248 244 C C -2.558 172.533 174.990 0.168 0.000 1.153 244 C CA -1.859 57.294 59.018 0.225 0.000 1.502 244 C CB -0.801 27.121 27.740 0.304 0.000 1.805 244 C HN 0.447 nan 8.230 nan 0.000 0.450 245 P HA 0.181 nan 4.420 nan 0.000 0.274 245 P C -0.195 177.207 177.300 0.171 0.000 1.470 245 P CA 0.236 63.317 63.100 -0.031 0.000 1.001 245 P CB 0.657 32.125 31.700 -0.387 0.000 1.332 246 V N 4.578 124.549 119.914 0.094 0.000 2.470 246 V HA -0.038 4.082 4.120 -0.000 0.000 0.276 246 V C 1.694 177.783 176.094 -0.008 0.000 1.040 246 V CA 0.144 62.469 62.300 0.040 0.000 1.008 246 V CB 0.333 32.067 31.823 -0.148 0.000 0.990 246 V HN 0.533 nan 8.190 nan 0.000 0.477 247 D N 5.296 125.723 120.400 0.046 0.000 2.127 247 D HA -0.335 4.305 4.640 -0.000 0.000 0.190 247 D C 1.646 177.833 176.300 -0.189 0.000 1.000 247 D CA 2.438 56.337 54.000 -0.167 0.000 0.839 247 D CB -0.715 40.034 40.800 -0.085 0.000 0.955 247 D HN 0.768 nan 8.370 nan 0.000 0.446 248 Y N -0.188 120.049 120.300 -0.104 0.000 2.639 248 Y HA 0.233 4.783 4.550 -0.000 0.000 0.297 248 Y C 1.515 177.358 175.900 -0.096 0.000 1.151 248 Y CA 0.246 58.288 58.100 -0.095 0.000 1.335 248 Y CB -0.485 37.946 38.460 -0.048 0.000 0.994 248 Y HN 0.017 nan 8.280 nan 0.000 0.548 249 L N 0.922 121.855 121.223 -0.483 0.000 2.965 249 L HA 0.223 4.563 4.340 -0.000 0.000 0.254 249 L C 0.530 177.258 176.870 -0.237 0.000 1.220 249 L CA -0.499 54.115 54.840 -0.377 0.000 1.023 249 L CB 0.239 41.992 42.059 -0.509 0.000 1.355 249 L HN 0.243 nan 8.230 nan 0.000 0.545 250 L N 1.949 123.029 121.223 -0.237 0.000 3.970 250 L HA -0.294 4.046 4.340 -0.000 0.000 0.425 250 L C 1.223 178.095 176.870 0.003 0.000 1.162 250 L CA 1.056 55.776 54.840 -0.199 0.000 0.968 250 L CB -1.424 40.515 42.059 -0.199 0.000 1.896 250 L HN 0.610 nan 8.230 nan 0.000 1.006 251 G N -0.128 108.700 108.800 0.047 0.000 2.200 251 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.267 251 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.267 251 G C 0.567 175.357 174.900 -0.183 0.000 0.993 251 G CA 0.980 46.061 45.100 -0.031 0.000 0.701 251 G HN 1.347 nan 8.290 nan 0.000 0.524 252 N N -1.640 116.961 118.700 -0.164 0.000 2.167 252 N HA 0.419 5.159 4.740 -0.000 0.000 0.234 252 N C 1.280 176.707 175.510 -0.139 0.000 1.312 252 N CA 0.712 53.663 53.050 -0.165 0.000 0.861 252 N CB -0.019 38.378 38.487 -0.150 0.000 1.217 252 N HN 1.457 nan 8.380 nan 0.000 0.504 253 G N -0.110 108.595 108.800 -0.159 0.000 2.157 253 G HA2 -0.255 3.704 3.960 -0.000 0.000 0.248 253 G HA3 -0.255 3.704 3.960 -0.000 0.000 0.248 253 G C -0.003 174.830 174.900 -0.110 0.000 0.979 253 G CA 0.521 45.535 45.100 -0.144 0.000 0.650 253 G HN 0.937 nan 8.290 nan 0.000 0.529 254 T N -1.283 113.208 114.554 -0.106 0.000 2.912 254 T HA 0.739 5.089 4.350 -0.000 0.000 0.288 254 T C 0.210 174.857 174.700 -0.088 0.000 1.030 254 T CA -0.985 61.069 62.100 -0.077 0.000 1.020 254 T CB 2.256 71.095 68.868 -0.049 0.000 1.056 254 T HN 0.502 nan 8.240 nan 0.000 0.480 255 L N 3.284 124.475 121.223 -0.055 0.000 2.360 255 L HA 0.217 4.557 4.340 -0.000 0.000 0.276 255 L C 1.772 178.602 176.870 -0.067 0.000 1.121 255 L CA -0.687 54.134 54.840 -0.031 0.000 0.845 255 L CB 0.751 42.819 42.059 0.014 0.000 1.143 255 L HN 0.717 nan 8.230 nan 0.000 0.452 256 L N 4.032 125.202 121.223 -0.088 0.000 2.089 256 L HA -0.167 4.173 4.340 -0.000 0.000 0.213 256 L C 2.196 178.995 176.870 -0.118 0.000 1.079 256 L CA 2.332 57.065 54.840 -0.178 0.000 0.758 256 L CB -0.500 41.467 42.059 -0.153 0.000 0.891 256 L HN 0.805 nan 8.230 nan 0.000 0.433 257 G N -0.902 107.911 108.800 0.021 0.000 2.485 257 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.221 257 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.221 257 G C 1.280 176.296 174.900 0.193 0.000 1.115 257 G CA 0.977 46.162 45.100 0.141 0.000 0.751 257 G HN 0.514 nan 8.290 nan 0.000 0.567 258 N N 0.532 119.265 118.700 0.055 0.000 2.336 258 N HA 0.149 4.889 4.740 -0.000 0.000 0.189 258 N C 2.135 177.610 175.510 -0.058 0.000 1.113 258 N CA 0.600 53.672 53.050 0.036 0.000 0.858 258 N CB 0.138 38.609 38.487 -0.026 0.000 0.970 258 N HN 0.278 nan 8.380 nan 0.000 0.471 259 A N 0.158 122.840 122.820 -0.231 0.000 2.131 259 A HA -0.092 4.227 4.320 -0.000 0.000 0.220 259 A C 1.417 178.837 177.584 -0.272 0.000 1.158 259 A CA 0.779 52.561 52.037 -0.426 0.000 0.665 259 A CB -0.875 17.393 19.000 -1.220 0.000 0.795 259 A HN 0.186 nan 8.150 nan 0.000 0.460 260 F N -0.303 119.625 119.950 -0.036 0.000 2.546 260 F HA -0.092 4.435 4.527 -0.000 0.000 0.298 260 F C 2.247 178.085 175.800 0.063 0.000 1.120 260 F CA 1.122 59.082 58.000 -0.066 0.000 1.456 260 F CB -0.401 38.482 39.000 -0.194 0.000 1.088 260 F HN 0.192 nan 8.300 nan 0.000 0.572 261 V N -2.612 117.352 119.914 0.083 0.000 3.078 261 V HA -0.115 4.005 4.120 -0.000 0.000 0.265 261 V C 0.663 176.756 176.094 -0.002 0.000 1.122 261 V CA 0.649 62.945 62.300 -0.007 0.000 1.141 261 V CB -1.242 30.466 31.823 -0.191 0.000 0.735 261 V HN -0.040 nan 8.190 nan 0.000 0.498 262 F N 1.673 121.762 119.950 0.232 0.000 2.375 262 F HA 0.595 5.122 4.527 -0.000 0.000 0.333 262 F C -1.970 174.001 175.800 0.285 0.000 1.104 262 F CA -3.265 54.880 58.000 0.242 0.000 1.149 262 F CB 0.050 39.177 39.000 0.212 0.000 1.190 262 F HN -0.049 nan 8.300 nan 0.000 0.533 263 P HA -0.044 nan 4.420 nan 0.000 0.255 263 P C -0.731 176.648 177.300 0.133 0.000 1.161 263 P CA 0.964 64.078 63.100 0.024 0.000 0.768 263 P CB -0.192 31.386 31.700 -0.203 0.000 0.746 264 H N 1.308 120.399 119.070 0.035 0.000 2.933 264 H HA 0.779 5.335 4.556 -0.000 0.000 0.310 264 H C -1.449 173.831 175.328 -0.080 0.000 1.351 264 H CA -0.987 55.031 56.048 -0.049 0.000 1.137 264 H CB 1.555 31.282 29.762 -0.060 0.000 1.853 264 H HN 0.254 nan 8.280 nan 0.000 0.539 265 Q N 0.682 120.449 119.800 -0.056 0.000 2.426 265 Q HA 0.526 4.866 4.340 -0.000 0.000 0.278 265 Q C -1.977 174.010 176.000 -0.021 0.000 1.007 265 Q CA -0.480 55.300 55.803 -0.037 0.000 0.850 265 Q CB 2.226 30.904 28.738 -0.099 0.000 1.427 265 Q HN 0.715 nan 8.270 nan 0.000 0.391 266 I N 3.767 124.364 120.570 0.045 0.000 2.404 266 I HA 0.466 4.635 4.170 -0.000 0.000 0.293 266 I C -0.309 175.816 176.117 0.013 0.000 0.992 266 I CA -0.811 60.508 61.300 0.033 0.000 1.149 266 I CB 1.518 39.586 38.000 0.113 0.000 1.315 266 I HN 0.583 nan 8.210 nan 0.000 0.446 267 I N 5.822 126.391 120.570 -0.002 0.000 2.307 267 I HA 0.173 4.343 4.170 -0.000 0.000 0.287 267 I C -0.080 176.083 176.117 0.076 0.000 1.054 267 I CA -0.267 61.045 61.300 0.020 0.000 1.218 267 I CB 0.392 38.389 38.000 -0.005 0.000 1.398 267 I HN 0.488 nan 8.210 nan 0.000 0.475 268 N N 6.691 125.436 118.700 0.075 0.000 2.437 268 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 268 N C 0.934 176.501 175.510 0.095 0.000 1.041 268 N CA -0.154 52.955 53.050 0.097 0.000 0.940 268 N CB 1.151 39.682 38.487 0.074 0.000 1.133 268 N HN 0.570 nan 8.380 nan 0.000 0.506 269 L N 2.444 123.747 121.223 0.134 0.000 2.137 269 L HA -0.228 4.112 4.340 -0.000 0.000 0.213 269 L C 2.380 179.291 176.870 0.068 0.000 1.085 269 L CA 1.183 56.088 54.840 0.108 0.000 0.760 269 L CB -0.173 41.964 42.059 0.130 0.000 0.893 269 L HN 0.605 nan 8.230 nan 0.000 0.434 270 R N -0.013 120.526 120.500 0.064 0.000 2.081 270 R HA -0.177 4.163 4.340 -0.000 0.000 0.235 270 R C 2.224 178.537 176.300 0.022 0.000 1.131 270 R CA 2.207 58.329 56.100 0.036 0.000 0.960 270 R CB -0.086 30.234 30.300 0.034 0.000 0.856 270 R HN 0.507 nan 8.270 nan 0.000 0.436 271 T N -3.038 111.533 114.554 0.028 0.000 3.018 271 T HA 0.117 4.467 4.350 -0.000 0.000 0.246 271 T C 0.172 174.883 174.700 0.017 0.000 1.026 271 T CA 0.045 62.157 62.100 0.019 0.000 1.081 271 T CB -0.119 68.761 68.868 0.020 0.000 0.970 271 T HN 0.493 nan 8.240 nan 0.000 0.475 272 N N 0.979 119.693 118.700 0.023 0.000 2.331 272 N HA 0.427 5.167 4.740 -0.000 0.000 0.280 272 N C -0.559 174.959 175.510 0.013 0.000 1.155 272 N CA -0.891 52.167 53.050 0.015 0.000 0.822 272 N CB 1.005 39.499 38.487 0.012 0.000 1.619 272 N HN 0.085 nan 8.380 nan 0.000 0.476 273 N N -0.402 118.297 118.700 -0.002 0.000 2.230 273 N HA 0.165 4.905 4.740 -0.000 0.000 0.202 273 N C -0.711 174.769 175.510 -0.051 0.000 1.119 273 N CA -0.266 52.775 53.050 -0.015 0.000 0.851 273 N CB 0.079 38.552 38.487 -0.024 0.000 0.990 273 N HN 0.806 nan 8.380 nan 0.000 0.497 274 C N -2.309 116.958 119.300 -0.055 0.000 3.284 274 C HA 0.923 5.383 4.460 -0.000 0.000 0.338 274 C C -1.298 173.644 174.990 -0.081 0.000 1.237 274 C CA -1.117 57.828 59.018 -0.121 0.000 1.276 274 C CB 1.098 28.747 27.740 -0.151 0.000 1.601 274 C HN 0.385 nan 8.230 nan 0.000 0.494 275 A N 1.773 124.513 122.820 -0.134 0.000 2.371 275 A HA 0.929 5.249 4.320 -0.000 0.000 0.311 275 A C -0.365 177.207 177.584 -0.020 0.000 1.068 275 A CA -0.278 51.717 52.037 -0.070 0.000 0.744 275 A CB 1.471 20.413 19.000 -0.096 0.000 1.239 275 A HN 1.162 nan 8.150 nan 0.000 0.435 276 T N 2.659 117.232 114.554 0.032 0.000 2.847 276 T HA 0.528 4.878 4.350 -0.000 0.000 0.291 276 T C -0.896 173.777 174.700 -0.045 0.000 0.998 276 T CA -0.115 62.020 62.100 0.058 0.000 0.967 276 T CB 0.455 69.379 68.868 0.093 0.000 0.954 276 T HN 0.375 nan 8.240 nan 0.000 0.441 277 L N 3.494 124.660 121.223 -0.095 0.000 2.280 277 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 277 L C -0.097 176.631 176.870 -0.236 0.000 1.023 277 L CA -0.674 54.059 54.840 -0.177 0.000 0.819 277 L CB 1.508 43.436 42.059 -0.218 0.000 1.212 277 L HN 0.390 nan 8.230 nan 0.000 0.420 278 V N 5.457 125.196 119.914 -0.292 0.000 2.353 278 V HA 0.293 4.413 4.120 -0.000 0.000 0.264 278 V C 0.186 176.007 176.094 -0.455 0.000 1.049 278 V CA -0.333 61.706 62.300 -0.434 0.000 0.896 278 V CB 0.700 32.123 31.823 -0.667 0.000 1.025 278 V HN 0.481 nan 8.190 nan 0.000 0.475 279 L N 8.544 129.493 121.223 -0.457 0.000 2.272 279 L HA 0.472 4.812 4.340 -0.000 0.000 0.289 279 L C -2.223 174.502 176.870 -0.241 0.000 1.032 279 L CA -1.848 52.691 54.840 -0.502 0.000 0.810 279 L CB 1.592 43.101 42.059 -0.916 0.000 1.205 279 L HN 0.375 nan 8.230 nan 0.000 0.422 280 P HA -0.028 nan 4.420 nan 0.000 0.274 280 P C -0.941 176.589 177.300 0.384 0.000 1.237 280 P CA -0.304 62.879 63.100 0.138 0.000 0.793 280 P CB 0.432 32.253 31.700 0.202 0.000 0.977 281 Y N 1.888 122.275 120.300 0.144 0.000 2.605 281 Y HA 0.215 4.765 4.550 -0.000 0.000 0.336 281 Y C -0.454 175.543 175.900 0.161 0.000 1.111 281 Y CA 0.350 58.551 58.100 0.168 0.000 1.422 281 Y CB 0.031 38.501 38.460 0.016 0.000 1.193 281 Y HN 0.014 nan 8.280 nan 0.000 0.526 282 V N 7.682 127.407 119.914 -0.314 0.000 2.448 282 V HA 0.469 4.589 4.120 -0.000 0.000 0.295 282 V C -0.499 175.206 176.094 -0.649 0.000 1.025 282 V CA -0.652 61.413 62.300 -0.390 0.000 0.859 282 V CB 1.517 33.108 31.823 -0.387 0.000 0.988 282 V HN 0.897 nan 8.190 nan 0.000 0.431 283 N N 1.536 119.990 118.700 -0.411 0.000 3.348 283 N HA 0.108 4.848 4.740 -0.000 0.000 0.233 283 N C 0.493 175.937 175.510 -0.109 0.000 1.440 283 N CA 0.189 53.068 53.050 -0.285 0.000 0.887 283 N CB 1.869 40.145 38.487 -0.352 0.000 1.410 283 N HN 0.479 nan 8.380 nan 0.000 0.502 284 S N -0.218 115.453 115.700 -0.048 0.000 2.660 284 S HA 0.323 4.793 4.470 -0.000 0.000 0.223 284 S C 0.448 175.058 174.600 0.016 0.000 0.963 284 S CA 0.087 58.275 58.200 -0.020 0.000 0.932 284 S CB -0.471 62.716 63.200 -0.022 0.000 0.775 284 S HN 0.358 nan 8.310 nan 0.000 0.531 285 L N -0.112 121.143 121.223 0.052 0.000 2.376 285 L HA 0.440 4.780 4.340 -0.000 0.000 0.258 285 L C 0.723 177.689 176.870 0.159 0.000 1.013 285 L CA -0.753 54.141 54.840 0.090 0.000 0.822 285 L CB 1.980 44.099 42.059 0.100 0.000 1.388 285 L HN -0.052 nan 8.230 nan 0.000 0.413 286 S N 0.851 116.622 115.700 0.118 0.000 2.406 286 S HA 0.183 4.653 4.470 -0.000 0.000 0.228 286 S C 0.295 174.936 174.600 0.068 0.000 1.020 286 S CA 0.801 59.068 58.200 0.112 0.000 0.965 286 S CB 0.204 63.428 63.200 0.040 0.000 0.798 286 S HN 0.478 nan 8.310 nan 0.000 0.488 287 I N -0.023 120.577 120.570 0.050 0.000 2.908 287 I HA 0.409 4.579 4.170 -0.000 0.000 0.300 287 I C -2.199 173.929 176.117 0.019 0.000 1.385 287 I CA -0.555 60.712 61.300 -0.055 0.000 1.004 287 I CB 2.365 40.273 38.000 -0.153 0.000 1.309 287 I HN -0.100 nan 8.210 nan 0.000 0.449 288 D N 1.993 122.406 120.400 0.022 0.000 2.677 288 D HA 0.287 4.927 4.640 -0.000 0.000 0.298 288 D C -1.364 174.931 176.300 -0.008 0.000 1.250 288 D CA -0.152 53.876 54.000 0.046 0.000 0.888 288 D CB 2.446 43.377 40.800 0.218 0.000 1.397 288 D HN 0.320 nan 8.370 nan 0.000 0.461 289 S N 0.803 116.527 115.700 0.040 0.000 2.430 289 S HA 0.131 4.601 4.470 -0.000 0.000 0.282 289 S C 1.618 176.304 174.600 0.143 0.000 1.186 289 S CA -0.196 58.055 58.200 0.084 0.000 1.060 289 S CB -0.112 63.185 63.200 0.161 0.000 0.966 289 S HN 0.395 nan 8.310 nan 0.000 0.501 290 M N 4.359 124.025 119.600 0.111 0.000 2.374 290 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 290 M C 1.658 178.028 176.300 0.116 0.000 1.067 290 M CA 1.036 56.404 55.300 0.114 0.000 1.103 290 M CB -0.184 32.469 32.600 0.089 0.000 1.402 290 M HN 0.606 nan 8.290 nan 0.000 0.444 291 V N 0.108 120.099 119.914 0.129 0.000 2.488 291 V HA -0.180 3.940 4.120 -0.000 0.000 0.246 291 V C 2.059 178.346 176.094 0.322 0.000 1.046 291 V CA 1.534 63.954 62.300 0.200 0.000 1.053 291 V CB -0.448 31.496 31.823 0.202 0.000 0.679 291 V HN 0.426 nan 8.190 nan 0.000 0.458 292 K N -1.255 119.315 120.400 0.284 0.000 2.211 292 K HA 0.056 4.376 4.320 -0.000 0.000 0.201 292 K C 0.832 177.624 176.600 0.320 0.000 1.052 292 K CA 0.432 56.908 56.287 0.314 0.000 0.973 292 K CB 0.148 32.786 32.500 0.230 0.000 0.766 292 K HN 0.535 nan 8.250 nan 0.000 0.466 293 H N 0.692 119.854 119.070 0.153 0.000 2.689 293 H HA 0.233 4.789 4.556 -0.000 0.000 0.346 293 H C -1.182 174.210 175.328 0.107 0.000 1.037 293 H CA -0.836 55.278 56.048 0.110 0.000 1.234 293 H CB 1.119 30.933 29.762 0.087 0.000 1.572 293 H HN -0.091 nan 8.280 nan 0.000 0.524 294 N N 3.914 122.652 118.700 0.064 0.000 2.422 294 N HA 0.040 4.780 4.740 -0.000 0.000 0.266 294 N C 0.431 175.781 175.510 -0.267 0.000 1.007 294 N CA -0.370 52.646 53.050 -0.058 0.000 0.941 294 N CB 1.298 39.817 38.487 0.053 0.000 1.115 294 N HN 0.697 nan 8.380 nan 0.000 0.492 295 N N 0.999 119.539 118.700 -0.267 0.000 2.173 295 N HA -0.050 4.690 4.740 -0.000 0.000 0.184 295 N C -0.087 175.232 175.510 -0.318 0.000 1.025 295 N CA 1.041 53.878 53.050 -0.355 0.000 0.852 295 N CB 0.194 38.534 38.487 -0.245 0.000 0.998 295 N HN 0.511 nan 8.380 nan 0.000 0.427 296 W N 0.098 121.342 121.300 -0.093 0.000 2.761 296 W HA 0.604 5.264 4.660 -0.000 0.000 0.340 296 W C 0.093 176.560 176.519 -0.088 0.000 1.072 296 W CA -0.831 56.459 57.345 -0.091 0.000 1.215 296 W CB 1.821 31.222 29.460 -0.098 0.000 1.420 296 W HN -0.135 nan 8.180 nan 0.000 0.519 297 G N 3.132 112.070 108.800 0.231 0.000 2.470 297 G HA2 0.638 4.598 3.960 -0.000 0.000 0.320 297 G HA3 0.638 4.598 3.960 -0.000 0.000 0.320 297 G C -1.448 173.565 174.900 0.189 0.000 1.245 297 G CA -0.672 44.518 45.100 0.151 0.000 0.935 297 G HN 0.283 nan 8.290 nan 0.000 0.476 298 I N 2.114 122.831 120.570 0.245 0.000 2.312 298 I HA 0.463 4.633 4.170 -0.000 0.000 0.290 298 I C 0.408 176.782 176.117 0.428 0.000 1.008 298 I CA -1.042 60.417 61.300 0.265 0.000 1.226 298 I CB 0.969 39.091 38.000 0.203 0.000 1.371 298 I HN 0.501 nan 8.210 nan 0.000 0.468 299 A N 8.307 131.358 122.820 0.384 0.000 2.287 299 A HA 0.799 5.119 4.320 -0.000 0.000 0.317 299 A C -0.404 177.458 177.584 0.463 0.000 1.220 299 A CA -0.478 51.860 52.037 0.502 0.000 0.835 299 A CB 0.723 19.981 19.000 0.431 0.000 1.180 299 A HN 0.636 nan 8.150 nan 0.000 0.500 300 I N 3.573 124.449 120.570 0.511 0.000 2.382 300 I HA 0.349 4.519 4.170 -0.000 0.000 0.285 300 I C -1.249 175.082 176.117 0.357 0.000 1.007 300 I CA -0.380 61.152 61.300 0.388 0.000 1.142 300 I CB 1.382 39.634 38.000 0.420 0.000 1.289 300 I HN 0.456 nan 8.210 nan 0.000 0.453 301 L N 8.376 129.703 121.223 0.175 0.000 2.386 301 L HA 0.519 4.859 4.340 -0.000 0.000 0.271 301 L C -2.405 174.467 176.870 0.003 0.000 0.993 301 L CA -1.635 53.225 54.840 0.033 0.000 0.819 301 L CB 1.679 43.692 42.059 -0.075 0.000 1.294 301 L HN 0.298 nan 8.230 nan 0.000 0.414 302 P HA 0.125 nan 4.420 nan 0.000 0.267 302 P C 0.764 178.128 177.300 0.106 0.000 1.328 302 P CA 0.115 63.229 63.100 0.025 0.000 0.990 302 P CB 0.231 32.005 31.700 0.123 0.000 1.168 303 L N 1.680 122.981 121.223 0.130 0.000 2.093 303 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 303 L C 1.193 178.162 176.870 0.165 0.000 1.085 303 L CA 1.252 56.191 54.840 0.164 0.000 0.755 303 L CB -0.334 41.849 42.059 0.207 0.000 0.904 303 L HN 0.276 nan 8.230 nan 0.000 0.435 304 A N -0.245 122.696 122.820 0.202 0.000 2.353 304 A HA 0.616 4.936 4.320 -0.000 0.000 0.299 304 A C -2.511 175.255 177.584 0.302 0.000 1.089 304 A CA -1.469 50.693 52.037 0.208 0.000 0.736 304 A CB 0.713 19.821 19.000 0.181 0.000 1.195 304 A HN -0.166 nan 8.150 nan 0.000 0.447 305 P HA 0.154 nan 4.420 nan 0.000 0.266 305 P C -0.111 177.320 177.300 0.218 0.000 1.195 305 P CA -0.162 63.114 63.100 0.294 0.000 0.768 305 P CB 0.424 32.235 31.700 0.184 0.000 0.838 306 L N 3.795 125.090 121.223 0.120 0.000 2.499 306 L HA 0.187 4.527 4.340 -0.000 0.000 0.273 306 L C 0.014 176.821 176.870 -0.105 0.000 1.195 306 L CA 0.990 55.650 54.840 -0.299 0.000 0.882 306 L CB -0.584 40.887 42.059 -0.981 0.000 1.133 306 L HN 0.343 nan 8.230 nan 0.000 0.483 307 N N 4.312 122.982 118.700 -0.049 0.000 2.287 307 N HA 0.423 5.163 4.740 -0.000 0.000 0.289 307 N C -1.989 173.576 175.510 0.091 0.000 1.066 307 N CA -0.389 52.675 53.050 0.024 0.000 0.841 307 N CB 2.089 40.594 38.487 0.030 0.000 1.599 307 N HN 0.462 nan 8.380 nan 0.000 0.476 308 F N 2.034 121.900 119.950 -0.140 0.000 2.561 308 F HA 0.574 5.100 4.527 -0.000 0.000 0.313 308 F C 0.874 176.565 175.800 -0.182 0.000 1.126 308 F CA 0.099 57.933 58.000 -0.275 0.000 0.918 308 F CB 1.015 39.728 39.000 -0.477 0.000 1.199 308 F HN 0.753 nan 8.300 nan 0.000 0.444 309 A N 3.514 125.793 122.820 -0.901 0.000 4.368 309 A HA -0.404 3.916 4.320 -0.000 0.000 0.362 309 A C 1.545 178.838 177.584 -0.486 0.000 2.036 309 A CA 3.063 54.585 52.037 -0.859 0.000 0.807 309 A CB -1.970 16.121 19.000 -1.515 0.000 1.408 309 A HN 1.673 nan 8.150 nan 0.000 0.477 310 S N -1.150 114.240 115.700 -0.516 0.000 2.800 310 S HA 0.212 4.682 4.470 -0.000 0.000 0.266 310 S C -0.505 173.988 174.600 -0.178 0.000 1.029 310 S CA 0.670 58.714 58.200 -0.259 0.000 1.302 310 S CB -0.007 63.073 63.200 -0.199 0.000 1.212 310 S HN 0.602 nan 8.310 nan 0.000 0.683 311 E N 2.416 122.503 120.200 -0.188 0.000 2.480 311 E HA 0.060 4.410 4.350 -0.000 0.000 0.258 311 E C 1.342 177.933 176.600 -0.015 0.000 0.984 311 E CA 0.514 56.886 56.400 -0.047 0.000 0.930 311 E CB 0.891 30.636 29.700 0.074 0.000 0.936 311 E HN 0.460 nan 8.360 nan 0.000 0.466 312 S N 2.187 117.883 115.700 -0.008 0.000 2.383 312 S HA -0.154 4.316 4.470 -0.000 0.000 0.229 312 S C 0.919 175.531 174.600 0.021 0.000 1.030 312 S CA 0.990 59.192 58.200 0.003 0.000 1.002 312 S CB -0.077 63.125 63.200 0.004 0.000 0.829 312 S HN 0.431 nan 8.310 nan 0.000 0.467 313 S N 1.701 117.422 115.700 0.034 0.000 2.389 313 S HA 0.648 5.118 4.470 -0.000 0.000 0.201 313 S C -2.884 171.753 174.600 0.061 0.000 1.422 313 S CA -1.329 56.898 58.200 0.045 0.000 1.216 313 S CB 1.153 64.378 63.200 0.041 0.000 1.130 313 S HN 0.258 nan 8.310 nan 0.000 0.465 314 P HA 0.575 nan 4.420 nan 0.000 0.276 314 P C -0.619 176.700 177.300 0.031 0.000 1.261 314 P CA -0.256 62.893 63.100 0.081 0.000 0.800 314 P CB 0.596 32.367 31.700 0.117 0.000 1.066 315 E N 0.859 121.068 120.200 0.014 0.000 2.352 315 E HA 0.496 4.846 4.350 -0.000 0.000 0.280 315 E C -1.630 174.947 176.600 -0.039 0.000 0.930 315 E CA -0.664 55.737 56.400 0.002 0.000 0.765 315 E CB 1.839 31.564 29.700 0.042 0.000 1.219 315 E HN 0.500 nan 8.360 nan 0.000 0.434 316 I N -0.420 120.133 120.570 -0.027 0.000 2.827 316 I HA 0.604 4.774 4.170 -0.000 0.000 0.298 316 I C -2.831 173.335 176.117 0.081 0.000 1.235 316 I CA -2.663 58.619 61.300 -0.030 0.000 1.021 316 I CB 2.559 40.480 38.000 -0.132 0.000 1.259 316 I HN 0.131 nan 8.210 nan 0.000 0.427 317 P HA 0.414 nan 4.420 nan 0.000 0.275 317 P C -0.885 176.410 177.300 -0.008 0.000 1.227 317 P CA 0.083 63.191 63.100 0.015 0.000 0.781 317 P CB 0.907 32.595 31.700 -0.020 0.000 0.906 318 I N 1.829 122.347 120.570 -0.086 0.000 2.410 318 I HA 0.255 4.425 4.170 -0.000 0.000 0.286 318 I C -0.032 175.966 176.117 -0.198 0.000 1.009 318 I CA -0.244 60.950 61.300 -0.176 0.000 1.111 318 I CB 1.783 39.571 38.000 -0.352 0.000 1.262 318 I HN 0.099 nan 8.210 nan 0.000 0.443 319 T N 7.140 121.583 114.554 -0.185 0.000 2.779 319 T HA 0.515 4.865 4.350 -0.000 0.000 0.280 319 T C -0.151 174.401 174.700 -0.246 0.000 0.987 319 T CA -0.440 61.548 62.100 -0.186 0.000 0.966 319 T CB 1.072 69.860 68.868 -0.133 0.000 0.933 319 T HN 0.284 nan 8.240 nan 0.000 0.442 320 L N 3.756 124.805 121.223 -0.291 0.000 2.257 320 L HA 0.381 4.720 4.340 -0.000 0.000 0.290 320 L C 0.261 177.004 176.870 -0.212 0.000 1.044 320 L CA -0.475 54.161 54.840 -0.339 0.000 0.810 320 L CB 0.881 42.589 42.059 -0.585 0.000 1.193 320 L HN 0.607 nan 8.230 nan 0.000 0.425 321 T N 5.092 119.572 114.554 -0.123 0.000 2.756 321 T HA 0.584 4.934 4.350 -0.000 0.000 0.290 321 T C -0.083 174.681 174.700 0.107 0.000 0.985 321 T CA -0.214 61.889 62.100 0.005 0.000 0.955 321 T CB 0.857 69.737 68.868 0.019 0.000 0.930 321 T HN 0.259 nan 8.240 nan 0.000 0.451 322 I N 2.518 123.156 120.570 0.112 0.000 2.474 322 I HA 0.705 4.875 4.170 -0.000 0.000 0.294 322 I C -0.050 176.123 176.117 0.095 0.000 1.005 322 I CA -1.091 60.265 61.300 0.094 0.000 1.113 322 I CB 1.814 39.783 38.000 -0.052 0.000 1.289 322 I HN 0.614 nan 8.210 nan 0.000 0.436 323 A N 7.584 130.352 122.820 -0.088 0.000 2.319 323 A HA 0.807 5.127 4.320 -0.000 0.000 0.310 323 A C -2.729 174.679 177.584 -0.292 0.000 1.152 323 A CA -1.704 50.087 52.037 -0.410 0.000 0.783 323 A CB 0.850 19.100 19.000 -1.251 0.000 1.184 323 A HN 0.329 nan 8.150 nan 0.000 0.474 324 P HA 0.337 nan 4.420 nan 0.000 0.271 324 P C -0.536 176.545 177.300 -0.365 0.000 1.216 324 P CA 0.336 63.199 63.100 -0.396 0.000 0.776 324 P CB 0.591 32.029 31.700 -0.437 0.000 0.881 325 M N 1.014 120.357 119.600 -0.428 0.000 2.591 325 M HA 0.269 4.749 4.480 -0.000 0.000 0.306 325 M C -0.052 176.018 176.300 -0.385 0.000 1.190 325 M CA -0.673 54.422 55.300 -0.342 0.000 0.889 325 M CB 1.911 34.314 32.600 -0.329 0.000 1.728 325 M HN 0.299 nan 8.290 nan 0.000 0.458 326 C N 1.667 120.720 119.300 -0.413 0.000 3.744 326 C HA -0.145 4.315 4.460 -0.000 0.000 0.288 326 C C 0.788 175.306 174.990 -0.786 0.000 1.423 326 C CA -0.138 58.311 59.018 -0.948 0.000 2.060 326 C CB -3.473 23.646 27.740 -1.035 0.000 1.337 326 C HN 0.963 nan 8.230 nan 0.000 0.640 327 c N 0.799 119.201 118.600 -0.330 0.000 2.365 327 c HA 0.870 5.440 4.570 -0.000 0.000 0.351 327 c C -0.038 173.925 174.090 -0.212 0.000 1.240 327 c CA -0.312 55.840 56.329 -0.295 0.000 2.062 327 c CB 1.211 43.592 42.510 -0.216 0.000 2.387 327 c HN 0.798 nan 8.230 nan 0.000 0.537 328 E N 2.356 122.274 120.200 -0.470 0.000 2.331 328 E HA 0.664 5.014 4.350 -0.000 0.000 0.275 328 E C -1.839 174.298 176.600 -0.772 0.000 0.895 328 E CA -0.498 55.634 56.400 -0.448 0.000 0.753 328 E CB 1.502 31.126 29.700 -0.128 0.000 1.216 328 E HN 0.636 nan 8.360 nan 0.000 0.434 329 F N 1.022 120.835 119.950 -0.229 0.000 2.575 329 F HA 0.586 5.113 4.527 -0.000 0.000 0.330 329 F C 0.361 175.924 175.800 -0.394 0.000 1.056 329 F CA -0.783 56.972 58.000 -0.409 0.000 0.964 329 F CB 2.200 40.715 39.000 -0.809 0.000 1.258 329 F HN 0.596 nan 8.300 nan 0.000 0.484 330 N N -0.626 118.018 118.700 -0.094 0.000 2.710 330 N HA 0.425 5.165 4.740 -0.000 0.000 0.257 330 N C -0.837 174.825 175.510 0.252 0.000 1.140 330 N CA -0.068 53.023 53.050 0.067 0.000 0.953 330 N CB 1.980 40.473 38.487 0.011 0.000 1.664 330 N HN 0.977 nan 8.380 nan 0.000 0.497 331 G N 1.979 110.963 108.800 0.308 0.000 2.520 331 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.264 331 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.264 331 G C -0.495 174.592 174.900 0.312 0.000 1.140 331 G CA -0.193 45.100 45.100 0.321 0.000 1.012 331 G HN 0.462 nan 8.290 nan 0.000 0.511 332 L N 1.339 122.725 121.223 0.272 0.000 2.490 332 L HA 0.734 5.074 4.340 -0.000 0.000 0.274 332 L C 0.960 177.859 176.870 0.049 0.000 1.201 332 L CA 0.492 55.363 54.840 0.050 0.000 0.869 332 L CB 0.336 42.397 42.059 0.003 0.000 1.123 332 L HN 0.823 nan 8.230 nan 0.000 0.484 333 R N 3.013 123.538 120.500 0.041 0.000 3.217 333 R HA 0.303 4.643 4.340 -0.000 0.000 0.261 333 R C -1.211 175.157 176.300 0.113 0.000 1.028 333 R CA -0.587 55.550 56.100 0.062 0.000 0.895 333 R CB 0.087 30.413 30.300 0.044 0.000 1.487 333 R HN 0.657 nan 8.270 nan 0.000 0.419 334 N N 1.393 120.133 118.700 0.066 0.000 2.374 334 N HA 0.002 4.742 4.740 -0.000 0.000 0.241 334 N C 0.245 175.700 175.510 -0.091 0.000 1.262 334 N CA -0.214 52.861 53.050 0.042 0.000 0.880 334 N CB 0.691 39.178 38.487 -0.000 0.000 1.105 334 N HN 0.517 nan 8.380 nan 0.000 0.438 335 I N 0.531 120.910 120.570 -0.318 0.000 2.648 335 I HA -0.063 4.107 4.170 -0.000 0.000 0.284 335 I C 0.087 176.036 176.117 -0.279 0.000 1.153 335 I CA 0.033 60.986 61.300 -0.579 0.000 1.426 335 I CB 0.394 37.809 38.000 -0.975 0.000 1.381 335 I HN 0.476 nan 8.210 nan 0.000 0.571 336 T N 8.825 123.277 114.554 -0.170 0.000 2.769 336 T HA 0.254 4.604 4.350 -0.000 0.000 0.293 336 T C 0.011 174.583 174.700 -0.214 0.000 0.931 336 T CA -0.024 62.036 62.100 -0.068 0.000 1.139 336 T CB -0.174 68.791 68.868 0.163 0.000 0.881 336 T HN 0.335 nan 8.240 nan 0.000 0.532 337 L N 6.845 127.953 121.223 -0.192 0.000 2.335 337 L HA 0.339 4.679 4.340 -0.000 0.000 0.268 337 L C -1.754 175.014 176.870 -0.169 0.000 1.037 337 L CA -1.913 52.788 54.840 -0.232 0.000 0.895 337 L CB 0.298 42.252 42.059 -0.175 0.000 1.266 337 L HN 0.420 nan 8.230 nan 0.000 0.439 338 P HA 0.092 nan 4.420 nan 0.000 0.272 338 P C -0.389 176.869 177.300 -0.069 0.000 1.223 338 P CA -0.543 62.503 63.100 -0.090 0.000 0.784 338 P CB 0.781 32.497 31.700 0.026 0.000 0.923 339 R N 2.497 122.959 120.500 -0.063 0.000 3.657 339 R HA 0.192 4.532 4.340 -0.000 0.000 0.220 339 R C 0.606 176.931 176.300 0.043 0.000 1.548 339 R CA -0.141 55.942 56.100 -0.029 0.000 1.465 339 R CB -0.890 29.382 30.300 -0.048 0.000 1.330 339 R HN 0.507 nan 8.270 nan 0.000 0.707 340 L N 1.423 122.686 121.223 0.067 0.000 2.313 340 L HA 0.012 4.352 4.340 -0.000 0.000 0.214 340 L C 0.615 177.524 176.870 0.065 0.000 1.119 340 L CA 0.596 55.506 54.840 0.117 0.000 0.809 340 L CB -0.240 41.885 42.059 0.110 0.000 0.933 340 L HN 0.672 nan 8.230 nan 0.000 0.449 341 Q N 0.000 119.818 119.800 0.030 0.000 2.315 341 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 341 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 341 Q CB 0.000 28.746 28.738 0.013 0.000 1.108 341 Q HN 0.000 nan 8.270 nan 0.000 0.481