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 3c2z_1_A DATA FIRST_RESID 11 DATA SEQUENCE RPRFSFSIAA REGKARTGTI EMKRGVIRTP AFMPVGXAAT VKALKPETVR DATA SEQUENCE ATGADIILGN TYHLMLRPGA ERIAKLGGLH SFMGWDRPIL TDSGGYQVMX DATA SEQUENCE XXXXXXQSEE GVTXXXXXXX XRHMLSPERS IEIQHLLGSD IVMAFDECTP DATA SEQUENCE YPATPSRAAS SMERSMRWAK RSRDAFDSRK EQAENAALFG IQQGSVFENL DATA SEQUENCE RQQSADALAE IGFDGYAVGG LAVGEGQDEM FRVLDFSVPM LPDDKPHYLM DATA SEQUENCE GVGKPDDIVG AVERGIDMFD CVLPTRSGRN GQAFTWDGPI NIRNARFSED DATA SEQUENCE LKPLDSECHC AVCQKWSRAY IHHLIRAGEI LGAMLMTEHN IAFYQQLMQK DATA SEQUENCE IRDSISEGRF SQFAQDFRAR YF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 11 R HA 0.000 nan 4.340 nan 0.000 0.208 11 R C 0.000 176.310 176.300 0.017 0.000 0.893 11 R CA 0.000 56.102 56.100 0.002 0.000 0.921 11 R CB 0.000 30.299 30.300 -0.002 0.000 0.687 12 P HA 0.281 nan 4.420 nan 0.000 0.276 12 P C 0.181 177.530 177.300 0.082 0.000 1.252 12 P CA -0.593 62.538 63.100 0.052 0.000 0.802 12 P CB 1.069 32.800 31.700 0.053 0.000 1.035 13 R N 0.218 120.788 120.500 0.117 0.000 2.096 13 R HA -0.097 4.295 4.340 0.087 0.000 0.240 13 R C -0.247 176.223 176.300 0.283 0.000 1.139 13 R CA 1.330 57.535 56.100 0.175 0.000 0.952 13 R CB -0.151 30.257 30.300 0.180 0.000 0.854 13 R HN 0.544 nan 8.270 nan 0.000 0.436 14 F N -0.551 119.453 119.950 0.090 0.000 2.670 14 F HA 0.275 4.854 4.527 0.087 0.000 0.332 14 F C -1.622 174.243 175.800 0.108 0.000 1.179 14 F CA -0.561 57.505 58.000 0.110 0.000 1.076 14 F CB 1.954 41.034 39.000 0.133 0.000 1.322 14 F HN -0.145 nan 8.300 nan 0.000 0.515 15 S N 6.746 122.265 115.700 -0.301 0.000 2.750 15 S HA 0.499 5.021 4.470 0.087 0.000 0.276 15 S C -1.848 172.607 174.600 -0.242 0.000 1.165 15 S CA -0.364 57.742 58.200 -0.156 0.000 1.047 15 S CB 0.438 63.604 63.200 -0.057 0.000 1.056 15 S HN 0.537 nan 8.310 nan 0.000 0.481 16 F N 4.773 124.531 119.950 -0.320 0.000 2.405 16 F HA 0.707 5.286 4.527 0.086 0.000 0.355 16 F C 0.021 175.761 175.800 -0.099 0.000 1.121 16 F CA -0.492 57.376 58.000 -0.219 0.000 1.112 16 F CB 1.465 40.400 39.000 -0.108 0.000 1.126 16 F HN 0.461 nan 8.300 nan 0.000 0.481 17 S N 6.927 122.327 115.700 -0.500 0.000 2.473 17 S HA 0.653 5.175 4.470 0.087 0.000 0.307 17 S C -0.647 173.542 174.600 -0.685 0.000 1.094 17 S CA -0.693 57.210 58.200 -0.494 0.000 1.070 17 S CB 0.530 63.585 63.200 -0.241 0.000 1.019 17 S HN 0.545 nan 8.310 nan 0.000 0.480 18 I N 4.574 124.785 120.570 -0.598 0.000 2.315 18 I HA 0.349 4.571 4.170 0.087 0.000 0.291 18 I C 1.075 177.054 176.117 -0.231 0.000 1.006 18 I CA -0.459 60.585 61.300 -0.427 0.000 1.265 18 I CB 1.519 39.307 38.000 -0.354 0.000 1.387 18 I HN 0.831 nan 8.210 nan 0.000 0.475 19 A N 5.347 128.063 122.820 -0.172 0.000 2.044 19 A HA 0.664 5.036 4.320 0.087 0.000 0.213 19 A C 0.904 178.437 177.584 -0.085 0.000 1.169 19 A CA 0.710 52.678 52.037 -0.115 0.000 0.724 19 A CB 0.219 19.163 19.000 -0.094 0.000 0.840 19 A HN 0.755 nan 8.150 nan 0.000 0.463 20 A N -0.808 121.962 122.820 -0.083 0.000 2.604 20 A HA 0.728 5.100 4.320 0.087 0.000 0.295 20 A C -0.849 176.704 177.584 -0.052 0.000 1.067 20 A CA -0.803 51.199 52.037 -0.058 0.000 0.683 20 A CB 1.023 19.993 19.000 -0.049 0.000 1.281 20 A HN 0.308 nan 8.150 nan 0.000 0.407 21 R N 0.257 120.740 120.500 -0.029 0.000 2.808 21 R HA 0.752 5.144 4.340 0.087 0.000 0.272 21 R C -1.177 175.132 176.300 0.016 0.000 0.995 21 R CA -0.735 55.358 56.100 -0.012 0.000 0.917 21 R CB 2.478 32.776 30.300 -0.004 0.000 1.217 21 R HN 0.750 nan 8.270 nan 0.000 0.471 22 E N 0.936 121.161 120.200 0.042 0.000 2.361 22 E HA 0.318 4.720 4.350 0.087 0.000 0.270 22 E C 0.013 176.679 176.600 0.111 0.000 0.911 22 E CA 0.131 56.585 56.400 0.089 0.000 0.818 22 E CB 1.112 30.900 29.700 0.147 0.000 1.332 22 E HN 0.784 nan 8.360 nan 0.000 0.402 23 G N 4.642 113.491 108.800 0.082 0.000 2.591 23 G HA2 -0.404 3.609 3.960 0.087 0.000 0.298 23 G HA3 -0.404 3.609 3.960 0.087 0.000 0.298 23 G C 0.653 175.597 174.900 0.073 0.000 1.195 23 G CA 0.577 45.724 45.100 0.079 0.000 0.989 23 G HN 0.572 nan 8.290 nan 0.000 0.551 24 K N 1.432 121.883 120.400 0.084 0.000 2.400 24 K HA 0.504 4.876 4.320 0.087 0.000 0.194 24 K C 1.360 178.008 176.600 0.081 0.000 1.033 24 K CA 0.534 56.868 56.287 0.079 0.000 1.021 24 K CB 0.287 32.830 32.500 0.072 0.000 0.808 24 K HN 0.761 nan 8.250 nan 0.000 0.505 25 A N 2.018 124.887 122.820 0.083 0.000 2.425 25 A HA 0.343 4.715 4.320 0.087 0.000 0.249 25 A C -0.330 177.239 177.584 -0.025 0.000 1.084 25 A CA -0.131 51.908 52.037 0.004 0.000 0.781 25 A CB 0.269 19.223 19.000 -0.076 0.000 1.019 25 A HN 0.166 nan 8.150 nan 0.000 0.490 26 R N 0.107 120.579 120.500 -0.048 0.000 2.771 26 R HA 0.784 5.176 4.340 0.087 0.000 0.274 26 R C -0.591 175.673 176.300 -0.060 0.000 0.987 26 R CA -0.464 55.614 56.100 -0.037 0.000 0.908 26 R CB 2.014 32.324 30.300 0.018 0.000 1.213 26 R HN 0.669 nan 8.270 nan 0.000 0.468 27 T N -0.377 114.138 114.554 -0.065 0.000 2.912 27 T HA 0.823 5.226 4.350 0.087 0.000 0.299 27 T C -0.633 174.030 174.700 -0.062 0.000 1.052 27 T CA 0.029 62.095 62.100 -0.056 0.000 0.996 27 T CB 1.505 70.318 68.868 -0.092 0.000 1.070 27 T HN 0.778 nan 8.240 nan 0.000 0.465 28 G N 1.712 110.497 108.800 -0.026 0.000 2.450 28 G HA2 0.611 4.623 3.960 0.087 0.000 0.273 28 G HA3 0.611 4.623 3.960 0.087 0.000 0.273 28 G C -0.942 173.960 174.900 0.002 0.000 1.221 28 G CA 0.053 45.106 45.100 -0.079 0.000 0.900 28 G HN 1.222 nan 8.290 nan 0.000 0.483 29 T N -1.555 112.992 114.554 -0.012 0.000 2.933 29 T HA 0.692 5.094 4.350 0.087 0.000 0.305 29 T C -0.918 173.850 174.700 0.112 0.000 1.092 29 T CA -0.516 61.608 62.100 0.040 0.000 1.008 29 T CB 1.818 70.672 68.868 -0.022 0.000 1.102 29 T HN 0.610 nan 8.240 nan 0.000 0.469 30 I N 2.135 122.758 120.570 0.088 0.000 2.330 30 I HA 0.327 4.550 4.170 0.087 0.000 0.289 30 I C 0.169 176.225 176.117 -0.101 0.000 1.001 30 I CA -0.683 60.586 61.300 -0.052 0.000 1.193 30 I CB 1.284 39.222 38.000 -0.104 0.000 1.345 30 I HN 0.653 nan 8.210 nan 0.000 0.461 31 E N 7.695 127.803 120.200 -0.152 0.000 2.200 31 E HA 0.572 4.974 4.350 0.087 0.000 0.283 31 E C -0.711 175.836 176.600 -0.088 0.000 1.015 31 E CA -0.343 56.001 56.400 -0.094 0.000 0.819 31 E CB 1.588 31.247 29.700 -0.068 0.000 1.081 31 E HN 0.484 nan 8.360 nan 0.000 0.397 32 M N 1.597 121.187 119.600 -0.017 0.000 2.691 32 M HA 0.301 4.833 4.480 0.087 0.000 0.293 32 M C 0.724 177.044 176.300 0.033 0.000 1.259 32 M CA -0.869 54.459 55.300 0.046 0.000 0.827 32 M CB 1.817 34.475 32.600 0.097 0.000 1.753 32 M HN 0.257 nan 8.290 nan 0.000 0.465 33 K N 0.296 120.723 120.400 0.045 0.000 2.103 33 K HA -0.094 4.278 4.320 0.087 0.000 0.207 33 K C 1.474 178.067 176.600 -0.013 0.000 1.048 33 K CA 1.584 57.880 56.287 0.014 0.000 0.930 33 K CB 0.013 32.521 32.500 0.013 0.000 0.716 33 K HN 0.437 nan 8.250 nan 0.000 0.444 34 R N -0.159 120.334 120.500 -0.012 0.000 2.310 34 R HA 0.088 4.480 4.340 0.087 0.000 0.202 34 R C 0.410 176.688 176.300 -0.038 0.000 0.933 34 R CA 0.255 56.328 56.100 -0.044 0.000 1.054 34 R CB 0.775 31.041 30.300 -0.057 0.000 0.985 34 R HN 0.255 nan 8.270 nan 0.000 0.489 35 G N -0.639 108.152 108.800 -0.015 0.000 2.369 35 G HA2 0.007 4.019 3.960 0.087 0.000 0.293 35 G HA3 0.007 4.019 3.960 0.087 0.000 0.293 35 G C -1.619 173.279 174.900 -0.002 0.000 1.301 35 G CA -1.016 44.072 45.100 -0.020 0.000 0.913 35 G HN -0.094 nan 8.290 nan 0.000 0.540 36 V N 0.450 120.362 119.914 -0.004 0.000 2.472 36 V HA 0.608 4.780 4.120 0.087 0.000 0.290 36 V C 0.184 176.291 176.094 0.021 0.000 1.037 36 V CA -0.477 61.823 62.300 -0.001 0.000 0.908 36 V CB 1.375 33.193 31.823 -0.009 0.000 0.985 36 V HN 0.587 nan 8.190 nan 0.000 0.454 37 I N 5.145 125.730 120.570 0.025 0.000 2.328 37 I HA 0.449 4.671 4.170 0.087 0.000 0.287 37 I C 0.402 176.550 176.117 0.050 0.000 1.012 37 I CA -0.375 60.953 61.300 0.046 0.000 1.195 37 I CB 1.013 39.039 38.000 0.043 0.000 1.350 37 I HN 0.481 nan 8.210 nan 0.000 0.464 38 R N 4.005 124.536 120.500 0.052 0.000 2.389 38 R HA 0.387 4.779 4.340 0.087 0.000 0.295 38 R C 0.060 176.401 176.300 0.068 0.000 1.075 38 R CA -0.218 55.912 56.100 0.049 0.000 1.005 38 R CB 0.841 31.162 30.300 0.034 0.000 0.987 38 R HN 0.667 nan 8.270 nan 0.000 0.452 39 T N 0.503 115.105 114.554 0.080 0.000 2.885 39 T HA 0.468 4.871 4.350 0.087 0.000 0.285 39 T C -2.636 172.098 174.700 0.056 0.000 1.019 39 T CA -2.863 59.295 62.100 0.096 0.000 1.010 39 T CB 2.140 71.102 68.868 0.156 0.000 1.022 39 T HN 0.194 nan 8.240 nan 0.000 0.466 40 P HA 0.401 nan 4.420 nan 0.000 0.268 40 P C -1.005 176.399 177.300 0.172 0.000 1.204 40 P CA -0.165 63.016 63.100 0.135 0.000 0.768 40 P CB 0.329 32.140 31.700 0.184 0.000 0.842 41 A N 3.635 126.586 122.820 0.219 0.000 2.330 41 A HA 0.656 5.028 4.320 0.087 0.000 0.327 41 A C -1.335 176.455 177.584 0.344 0.000 1.155 41 A CA -0.500 51.661 52.037 0.207 0.000 0.803 41 A CB 0.399 19.456 19.000 0.096 0.000 1.208 41 A HN 0.475 nan 8.150 nan 0.000 0.477 42 F N 2.612 122.649 119.950 0.145 0.000 2.444 42 F HA 0.631 5.208 4.527 0.083 0.000 0.342 42 F C -0.177 175.652 175.800 0.048 0.000 1.121 42 F CA -0.819 57.264 58.000 0.140 0.000 0.997 42 F CB 1.514 40.589 39.000 0.125 0.000 1.130 42 F HN 0.490 nan 8.300 nan 0.000 0.454 43 M N 8.604 127.860 119.600 -0.573 0.000 2.055 43 M HA 0.322 4.854 4.480 0.087 0.000 0.347 43 M C -2.444 173.461 176.300 -0.658 0.000 1.123 43 M CA -1.809 53.206 55.300 -0.476 0.000 1.035 43 M CB 0.922 33.297 32.600 -0.375 0.000 1.484 43 M HN 0.308 nan 8.290 nan 0.000 0.428 44 P HA 0.034 nan 4.420 nan 0.000 0.267 44 P C -0.705 176.414 177.300 -0.300 0.000 1.200 44 P CA -0.163 62.773 63.100 -0.274 0.000 0.772 44 P CB 0.577 32.181 31.700 -0.159 0.000 0.855 45 V N 3.176 122.951 119.914 -0.231 0.000 2.427 45 V HA 0.689 4.862 4.120 0.087 0.000 0.286 45 V C 0.875 176.865 176.094 -0.174 0.000 1.034 45 V CA 0.227 62.410 62.300 -0.196 0.000 0.893 45 V CB 1.067 32.801 31.823 -0.148 0.000 0.982 45 V HN 0.788 nan 8.190 nan 0.000 0.452 49 A N -0.998 121.835 122.820 0.021 0.000 2.869 49 A HA 0.115 4.487 4.320 0.087 0.000 0.280 49 A C 0.689 178.251 177.584 -0.037 0.000 1.458 49 A CA 2.189 54.247 52.037 0.036 0.000 0.776 49 A CB -2.180 16.936 19.000 0.193 0.000 1.028 49 A HN 2.569 nan 8.150 nan 0.000 0.547 50 T N -1.648 112.865 114.554 -0.067 0.000 3.047 50 T HA 0.493 4.895 4.350 0.087 0.000 0.340 50 T C -0.648 173.989 174.700 -0.105 0.000 1.421 50 T CA 0.251 62.300 62.100 -0.085 0.000 1.090 50 T CB 1.386 70.211 68.868 -0.071 0.000 1.292 50 T HN 1.208 nan 8.240 nan 0.000 0.480 51 V N 4.320 124.161 119.914 -0.121 0.000 2.427 51 V HA 0.566 4.738 4.120 0.087 0.000 0.268 51 V C 1.217 177.265 176.094 -0.077 0.000 1.046 51 V CA -0.219 62.007 62.300 -0.123 0.000 0.970 51 V CB 0.189 31.919 31.823 -0.156 0.000 1.001 51 V HN 1.193 nan 8.190 nan 0.000 0.476 52 K N 3.901 124.260 120.400 -0.068 0.000 2.466 52 K HA 0.410 4.782 4.320 0.087 0.000 0.278 52 K C 1.249 177.827 176.600 -0.037 0.000 1.048 52 K CA 0.634 56.891 56.287 -0.051 0.000 1.088 52 K CB -0.844 31.629 32.500 -0.046 0.000 0.884 52 K HN 2.311 nan 8.250 nan 0.000 0.478 53 A N 1.190 123.990 122.820 -0.035 0.000 2.899 53 A HA -0.100 4.273 4.320 0.087 0.000 0.257 53 A C 0.209 177.784 177.584 -0.015 0.000 1.335 53 A CA 1.252 53.272 52.037 -0.028 0.000 0.924 53 A CB -2.348 16.633 19.000 -0.032 0.000 1.105 53 A HN 1.047 nan 8.150 nan 0.000 0.765 54 L N -0.757 120.459 121.223 -0.012 0.000 2.385 54 L HA 0.442 4.835 4.340 0.087 0.000 0.273 54 L C 0.406 177.284 176.870 0.013 0.000 0.990 54 L CA -0.921 53.924 54.840 0.009 0.000 0.821 54 L CB 1.869 43.937 42.059 0.016 0.000 1.279 54 L HN 0.245 nan 8.230 nan 0.000 0.412 55 K N 2.721 123.141 120.400 0.033 0.000 2.414 55 K HA 0.091 4.463 4.320 0.087 0.000 0.272 55 K C -1.608 175.047 176.600 0.093 0.000 0.993 55 K CA -1.316 55.001 56.287 0.049 0.000 0.964 55 K CB 0.753 33.285 32.500 0.054 0.000 0.925 55 K HN 0.256 nan 8.250 nan 0.000 0.487 56 P HA -0.271 nan 4.420 nan 0.000 0.216 56 P C 0.852 178.329 177.300 0.296 0.000 1.150 56 P CA 1.410 64.683 63.100 0.289 0.000 0.843 56 P CB 0.088 31.992 31.700 0.339 0.000 0.787 57 E N -1.154 119.148 120.200 0.170 0.000 2.153 57 E HA -0.138 4.265 4.350 0.087 0.000 0.194 57 E C 1.271 177.954 176.600 0.138 0.000 0.988 57 E CA 1.513 57.990 56.400 0.128 0.000 0.811 57 E CB -1.431 28.317 29.700 0.080 0.000 0.746 57 E HN 0.165 nan 8.360 nan 0.000 0.466 58 T N 1.219 115.852 114.554 0.132 0.000 2.857 58 T HA -0.056 4.346 4.350 0.087 0.000 0.266 58 T C 2.113 176.899 174.700 0.144 0.000 1.048 58 T CA 1.148 63.322 62.100 0.124 0.000 1.139 58 T CB -0.158 68.770 68.868 0.101 0.000 0.874 58 T HN 0.033 nan 8.240 nan 0.000 0.455 59 V N 1.930 121.943 119.914 0.165 0.000 2.332 59 V HA -0.181 3.991 4.120 0.087 0.000 0.248 59 V C 2.665 178.919 176.094 0.266 0.000 1.055 59 V CA 1.727 64.127 62.300 0.167 0.000 1.038 59 V CB -0.588 31.280 31.823 0.075 0.000 0.651 59 V HN 0.264 nan 8.190 nan 0.000 0.450 60 R N 1.234 121.952 120.500 0.364 0.000 2.092 60 R HA -0.038 4.354 4.340 0.087 0.000 0.231 60 R C 2.091 178.496 176.300 0.174 0.000 1.119 60 R CA 1.852 58.130 56.100 0.297 0.000 0.970 60 R CB -0.989 29.407 30.300 0.160 0.000 0.864 60 R HN 0.431 nan 8.270 nan 0.000 0.440 61 A N -0.396 122.512 122.820 0.147 0.000 2.015 61 A HA -0.118 4.254 4.320 0.087 0.000 0.219 61 A C 2.062 179.719 177.584 0.122 0.000 1.163 61 A CA 1.812 53.919 52.037 0.116 0.000 0.646 61 A CB -1.091 17.974 19.000 0.108 0.000 0.806 61 A HN 0.628 nan 8.150 nan 0.000 0.448 62 T N -4.316 110.320 114.554 0.137 0.000 3.007 62 T HA 0.304 4.706 4.350 0.087 0.000 0.270 62 T C 1.444 176.220 174.700 0.127 0.000 1.107 62 T CA 1.465 63.644 62.100 0.131 0.000 1.118 62 T CB -0.118 68.827 68.868 0.128 0.000 0.889 62 T HN 1.630 nan 8.240 nan 0.000 0.506 63 G N 0.639 109.521 108.800 0.135 0.000 2.192 63 G HA2 0.091 4.103 3.960 0.087 0.000 0.193 63 G HA3 0.091 4.103 3.960 0.087 0.000 0.193 63 G C 0.260 175.253 174.900 0.156 0.000 0.999 63 G CA -0.172 45.003 45.100 0.125 0.000 0.659 63 G HN 1.110 nan 8.290 nan 0.000 0.503 64 A N 0.432 123.372 122.820 0.201 0.000 2.520 64 A HA 0.526 4.898 4.320 0.087 0.000 0.245 64 A C 1.024 178.799 177.584 0.317 0.000 1.072 64 A CA 1.008 53.187 52.037 0.235 0.000 0.761 64 A CB 0.290 19.410 19.000 0.200 0.000 1.004 64 A HN 0.161 nan 8.150 nan 0.000 0.499 65 D N 0.540 121.093 120.400 0.256 0.000 2.355 65 D HA 0.205 4.897 4.640 0.087 0.000 0.206 65 D C 0.198 176.714 176.300 0.359 0.000 1.010 65 D CA 0.898 55.044 54.000 0.243 0.000 0.875 65 D CB 0.429 41.311 40.800 0.136 0.000 0.966 65 D HN 0.579 nan 8.370 nan 0.000 0.512 66 I N 0.532 121.300 120.570 0.330 0.000 2.842 66 I HA 0.283 4.505 4.170 0.087 0.000 0.297 66 I C -1.695 174.398 176.117 -0.039 0.000 1.380 66 I CA -0.927 60.523 61.300 0.251 0.000 1.018 66 I CB 2.145 40.203 38.000 0.097 0.000 1.311 66 I HN -0.218 nan 8.210 nan 0.000 0.439 67 I N 4.094 124.518 120.570 -0.244 0.000 3.067 67 I HA 0.622 4.844 4.170 0.087 0.000 0.312 67 I C -1.780 174.148 176.117 -0.314 0.000 1.073 67 I CA -0.990 60.047 61.300 -0.440 0.000 1.016 67 I CB 2.082 39.582 38.000 -0.834 0.000 1.227 67 I HN 0.636 nan 8.210 nan 0.000 0.456 68 L N 2.276 123.324 121.223 -0.291 0.000 2.317 68 L HA 0.893 5.285 4.340 0.087 0.000 0.281 68 L C -0.020 176.749 176.870 -0.168 0.000 1.024 68 L CA 0.062 54.778 54.840 -0.206 0.000 0.810 68 L CB 1.452 43.404 42.059 -0.177 0.000 1.240 68 L HN 0.922 nan 8.230 nan 0.000 0.427 69 G N 2.325 111.059 108.800 -0.111 0.000 2.685 69 G HA2 0.380 4.392 3.960 0.087 0.000 0.298 69 G HA3 0.380 4.392 3.960 0.087 0.000 0.298 69 G C -1.742 173.163 174.900 0.007 0.000 1.277 69 G CA -0.755 44.308 45.100 -0.062 0.000 0.986 69 G HN 0.653 nan 8.290 nan 0.000 0.487 70 N N -1.230 117.509 118.700 0.065 0.000 2.399 70 N HA 0.358 5.150 4.740 0.087 0.000 0.284 70 N C 1.168 176.777 175.510 0.165 0.000 1.025 70 N CA -0.469 52.670 53.050 0.148 0.000 0.885 70 N CB 1.826 40.465 38.487 0.252 0.000 1.339 70 N HN 0.292 nan 8.380 nan 0.000 0.487 71 T N 1.308 115.955 114.554 0.154 0.000 2.635 71 T HA -0.247 4.155 4.350 0.087 0.000 0.267 71 T C 1.406 176.188 174.700 0.137 0.000 1.040 71 T CA 1.549 63.726 62.100 0.129 0.000 1.156 71 T CB -0.502 68.449 68.868 0.139 0.000 0.863 71 T HN 0.611 nan 8.240 nan 0.000 0.430 72 Y N 1.105 121.439 120.300 0.056 0.000 2.097 72 Y HA -0.259 4.343 4.550 0.086 0.000 0.282 72 Y C 2.464 178.318 175.900 -0.076 0.000 1.152 72 Y CA 1.921 60.009 58.100 -0.018 0.000 1.136 72 Y CB -0.645 37.793 38.460 -0.037 0.000 0.975 72 Y HN 0.393 nan 8.280 nan 0.000 0.498 73 H N -0.388 118.713 119.070 0.051 0.000 2.321 73 H HA -0.157 4.452 4.556 0.089 0.000 0.300 73 H C 2.209 177.482 175.328 -0.092 0.000 1.087 73 H CA 2.343 58.354 56.048 -0.062 0.000 1.319 73 H CB -0.354 29.450 29.762 0.070 0.000 1.379 73 H HN 0.329 nan 8.280 nan 0.000 0.501 74 L N 0.360 121.634 121.223 0.084 0.000 2.141 74 L HA -0.160 4.232 4.340 0.087 0.000 0.209 74 L C 2.507 179.350 176.870 -0.044 0.000 1.094 74 L CA 1.110 55.965 54.840 0.025 0.000 0.763 74 L CB -0.366 41.710 42.059 0.030 0.000 0.908 74 L HN 0.471 nan 8.230 nan 0.000 0.437 75 M N -1.332 118.223 119.600 -0.075 0.000 2.374 75 M HA -0.137 4.395 4.480 0.087 0.000 0.264 75 M C 1.836 178.054 176.300 -0.136 0.000 1.067 75 M CA 1.770 57.010 55.300 -0.100 0.000 1.103 75 M CB -0.279 32.266 32.600 -0.091 0.000 1.402 75 M HN 0.172 nan 8.290 nan 0.000 0.444 76 L N -0.251 120.855 121.223 -0.195 0.000 2.102 76 L HA 0.189 4.582 4.340 0.087 0.000 0.202 76 L C 1.176 177.985 176.870 -0.102 0.000 1.076 76 L CA 0.569 55.297 54.840 -0.187 0.000 0.761 76 L CB -0.039 41.836 42.059 -0.307 0.000 0.921 76 L HN 0.290 nan 8.230 nan 0.000 0.444 77 R N -0.245 120.216 120.500 -0.065 0.000 2.512 77 R HA 0.217 4.609 4.340 0.087 0.000 0.291 77 R C -2.161 174.149 176.300 0.016 0.000 1.097 77 R CA -1.138 54.952 56.100 -0.016 0.000 0.940 77 R CB 2.247 32.551 30.300 0.007 0.000 1.198 77 R HN -0.192 nan 8.270 nan 0.000 0.429 78 P HA 0.155 nan 4.420 nan 0.000 0.255 78 P C -0.093 177.163 177.300 -0.074 0.000 1.248 78 P CA 0.257 63.343 63.100 -0.022 0.000 0.807 78 P CB 0.803 32.487 31.700 -0.028 0.000 1.150 79 G N -0.148 108.600 108.800 -0.087 0.000 3.055 79 G HA2 0.116 4.128 3.960 0.087 0.000 0.685 79 G HA3 0.116 4.128 3.960 0.087 0.000 0.685 79 G C 0.596 175.426 174.900 -0.117 0.000 1.212 79 G CA -0.399 44.644 45.100 -0.095 0.000 0.822 79 G HN 0.152 nan 8.290 nan 0.000 0.610 80 A N 1.425 124.187 122.820 -0.096 0.000 1.897 80 A HA 0.169 4.541 4.320 0.087 0.000 0.215 80 A C 2.068 179.588 177.584 -0.107 0.000 1.181 80 A CA 2.343 54.322 52.037 -0.096 0.000 0.620 80 A CB -0.337 18.622 19.000 -0.067 0.000 0.821 80 A HN 0.853 nan 8.150 nan 0.000 0.443 81 E N -0.425 119.722 120.200 -0.089 0.000 2.085 81 E HA -0.181 4.221 4.350 0.087 0.000 0.194 81 E C 2.148 178.685 176.600 -0.105 0.000 0.994 81 E CA 1.419 57.769 56.400 -0.083 0.000 0.801 81 E CB -0.237 29.426 29.700 -0.063 0.000 0.743 81 E HN 0.627 nan 8.360 nan 0.000 0.453 82 R N 0.418 120.844 120.500 -0.124 0.000 2.073 82 R HA -0.107 4.285 4.340 0.087 0.000 0.234 82 R C 2.182 178.339 176.300 -0.238 0.000 1.134 82 R CA 1.384 57.391 56.100 -0.154 0.000 0.952 82 R CB -0.330 29.880 30.300 -0.150 0.000 0.850 82 R HN 0.179 nan 8.270 nan 0.000 0.433 83 I N 0.842 121.227 120.570 -0.308 0.000 2.286 83 I HA -0.249 3.973 4.170 0.087 0.000 0.248 83 I C 2.499 178.476 176.117 -0.233 0.000 1.115 83 I CA 1.292 62.345 61.300 -0.412 0.000 1.392 83 I CB -0.282 37.485 38.000 -0.389 0.000 1.065 83 I HN 0.345 nan 8.210 nan 0.000 0.418 84 A N 0.476 123.199 122.820 -0.162 0.000 1.930 84 A HA -0.250 4.122 4.320 0.087 0.000 0.217 84 A C 2.343 179.872 177.584 -0.091 0.000 1.175 84 A CA 1.780 53.745 52.037 -0.119 0.000 0.627 84 A CB -0.466 18.465 19.000 -0.114 0.000 0.815 84 A HN 0.343 nan 8.150 nan 0.000 0.443 85 K N -0.285 120.059 120.400 -0.092 0.000 2.147 85 K HA -0.005 4.367 4.320 0.087 0.000 0.205 85 K C 1.267 177.835 176.600 -0.052 0.000 1.049 85 K CA 1.192 57.441 56.287 -0.064 0.000 0.936 85 K CB -0.266 32.197 32.500 -0.061 0.000 0.722 85 K HN 0.472 nan 8.250 nan 0.000 0.446 86 L N -0.658 120.517 121.223 -0.080 0.000 2.612 86 L HA 0.189 4.581 4.340 0.087 0.000 0.230 86 L C 1.004 177.881 176.870 0.012 0.000 1.140 86 L CA 0.414 55.236 54.840 -0.029 0.000 0.896 86 L CB 0.453 42.482 42.059 -0.051 0.000 1.065 86 L HN 0.586 nan 8.230 nan 0.000 0.447 87 G N -0.998 107.796 108.800 -0.011 0.000 2.192 87 G HA2 0.016 4.029 3.960 0.087 0.000 0.193 87 G HA3 0.016 4.029 3.960 0.087 0.000 0.193 87 G C 0.517 175.434 174.900 0.028 0.000 0.999 87 G CA -0.332 44.779 45.100 0.017 0.000 0.659 87 G HN 0.783 nan 8.290 nan 0.000 0.503 88 G N -1.556 107.245 108.800 0.002 0.000 2.663 88 G HA2 0.200 4.212 3.960 0.087 0.000 0.686 88 G HA3 0.200 4.212 3.960 0.087 0.000 0.686 88 G C 0.433 175.393 174.900 0.101 0.000 1.288 88 G CA -0.019 45.096 45.100 0.026 0.000 0.836 88 G HN 1.496 nan 8.290 nan 0.000 0.584 89 L N 0.163 121.448 121.223 0.104 0.000 2.093 89 L HA 0.113 4.506 4.340 0.087 0.000 0.208 89 L C 2.536 179.498 176.870 0.154 0.000 1.085 89 L CA 3.017 57.925 54.840 0.114 0.000 0.755 89 L CB -0.921 41.134 42.059 -0.007 0.000 0.904 89 L HN 0.741 nan 8.230 nan 0.000 0.435 90 H N -1.736 117.422 119.070 0.146 0.000 2.321 90 H HA -0.119 4.489 4.556 0.086 0.000 0.300 90 H C 2.546 177.962 175.328 0.146 0.000 1.087 90 H CA 1.806 57.954 56.048 0.166 0.000 1.319 90 H CB -0.469 29.364 29.762 0.119 0.000 1.379 90 H HN 0.391 nan 8.280 nan 0.000 0.501 91 S N -0.443 115.416 115.700 0.266 0.000 2.368 91 S HA -0.177 4.345 4.470 0.087 0.000 0.224 91 S C 2.030 176.754 174.600 0.206 0.000 1.029 91 S CA 0.978 59.289 58.200 0.185 0.000 0.988 91 S CB -0.489 62.794 63.200 0.140 0.000 0.838 91 S HN 0.352 nan 8.310 nan 0.000 0.462 92 F N 3.079 123.063 119.950 0.057 0.000 2.095 92 F HA -0.091 4.493 4.527 0.095 0.000 0.298 92 F C 2.135 177.958 175.800 0.039 0.000 1.104 92 F CA 2.205 60.226 58.000 0.035 0.000 1.232 92 F CB -0.487 38.525 39.000 0.020 0.000 0.987 92 F HN 0.404 nan 8.300 nan 0.000 0.475 93 M N -1.771 117.863 119.600 0.056 0.000 2.465 93 M HA 0.420 4.952 4.480 0.087 0.000 0.249 93 M C 1.332 177.654 176.300 0.038 0.000 1.130 93 M CA 0.972 56.240 55.300 -0.052 0.000 1.067 93 M CB 0.152 32.753 32.600 0.002 0.000 1.394 93 M HN 0.183 nan 8.290 nan 0.000 0.483 94 G N 1.450 110.311 108.800 0.102 0.000 2.149 94 G HA2 -0.238 3.774 3.960 0.087 0.000 0.235 94 G HA3 -0.238 3.774 3.960 0.087 0.000 0.235 94 G C -0.742 174.277 174.900 0.198 0.000 1.018 94 G CA 0.165 45.332 45.100 0.112 0.000 0.728 94 G HN 0.756 nan 8.290 nan 0.000 0.508 95 W N 1.861 123.184 121.300 0.039 0.000 2.411 95 W HA 0.527 5.229 4.660 0.070 0.000 0.317 95 W C 0.002 176.609 176.519 0.146 0.000 1.030 95 W CA -0.150 57.227 57.345 0.052 0.000 1.239 95 W CB 1.289 30.751 29.460 0.004 0.000 1.304 95 W HN 0.265 nan 8.180 nan 0.000 0.437 96 D N 3.737 123.965 120.400 -0.287 0.000 2.363 96 D HA 0.115 4.808 4.640 0.087 0.000 0.214 96 D C 0.305 176.455 176.300 -0.250 0.000 1.093 96 D CA 0.006 53.921 54.000 -0.143 0.000 0.837 96 D CB 0.328 41.041 40.800 -0.145 0.000 0.948 96 D HN 0.213 nan 8.370 nan 0.000 0.507 97 R N 0.129 120.264 120.500 -0.608 0.000 2.705 97 R HA 0.519 4.911 4.340 0.087 0.000 0.246 97 R C -2.467 173.977 176.300 0.239 0.000 1.142 97 R CA -2.068 53.844 56.100 -0.314 0.000 1.114 97 R CB 0.343 30.279 30.300 -0.608 0.000 1.256 97 R HN -0.057 nan 8.270 nan 0.000 0.536 98 P HA 0.006 nan 4.420 nan 0.000 0.267 98 P C -0.851 176.711 177.300 0.436 0.000 1.200 98 P CA 0.723 64.031 63.100 0.347 0.000 0.772 98 P CB 0.430 32.246 31.700 0.193 0.000 0.855 99 I N 2.424 123.168 120.570 0.290 0.000 2.466 99 I HA 0.346 4.568 4.170 0.087 0.000 0.289 99 I C -0.275 175.840 176.117 -0.004 0.000 1.026 99 I CA -0.911 60.427 61.300 0.064 0.000 1.078 99 I CB 1.842 39.785 38.000 -0.095 0.000 1.249 99 I HN 0.171 nan 8.210 nan 0.000 0.429 100 L N 6.457 127.623 121.223 -0.095 0.000 2.289 100 L HA 0.571 4.963 4.340 0.087 0.000 0.285 100 L C -0.058 176.751 176.870 -0.101 0.000 1.049 100 L CA 0.005 54.753 54.840 -0.153 0.000 0.804 100 L CB 1.321 43.211 42.059 -0.281 0.000 1.195 100 L HN 0.716 nan 8.230 nan 0.000 0.428 101 T N -0.079 114.441 114.554 -0.057 0.000 2.807 101 T HA 0.361 4.763 4.350 0.087 0.000 0.279 101 T C -0.388 174.328 174.700 0.028 0.000 0.993 101 T CA -0.916 61.180 62.100 -0.007 0.000 0.970 101 T CB 1.632 70.513 68.868 0.022 0.000 0.950 101 T HN 0.485 nan 8.240 nan 0.000 0.441 102 D N 1.044 121.479 120.400 0.058 0.000 2.360 102 D HA 0.211 4.903 4.640 0.087 0.000 0.242 102 D C 1.382 177.760 176.300 0.129 0.000 1.184 102 D CA -0.380 53.675 54.000 0.091 0.000 0.930 102 D CB 1.303 42.157 40.800 0.089 0.000 1.161 102 D HN 0.603 nan 8.370 nan 0.000 0.447 103 S N 0.257 116.055 115.700 0.163 0.000 2.528 103 S HA 0.257 4.779 4.470 0.087 0.000 0.219 103 S C 1.551 176.351 174.600 0.333 0.000 0.985 103 S CA 0.488 58.837 58.200 0.248 0.000 0.914 103 S CB 0.447 63.835 63.200 0.314 0.000 0.776 103 S HN 0.846 nan 8.310 nan 0.000 0.526 104 G N 0.547 109.517 108.800 0.284 0.000 2.238 104 G HA2 -0.187 3.825 3.960 0.087 0.000 0.217 104 G HA3 -0.187 3.825 3.960 0.087 0.000 0.217 104 G C 0.985 176.053 174.900 0.281 0.000 0.996 104 G CA 0.067 45.355 45.100 0.312 0.000 0.632 104 G HN 0.846 nan 8.290 nan 0.000 0.503 105 G N -0.287 108.671 108.800 0.263 0.000 2.421 105 G HA2 0.039 4.051 3.960 0.087 0.000 0.217 105 G HA3 0.039 4.051 3.960 0.087 0.000 0.217 105 G C 1.346 176.263 174.900 0.028 0.000 1.143 105 G CA 1.689 46.843 45.100 0.090 0.000 0.784 105 G HN 0.635 nan 8.290 nan 0.000 0.541 106 Y N 1.209 121.470 120.300 -0.066 0.000 2.263 106 Y HA 0.061 4.663 4.550 0.087 0.000 0.292 106 Y C 3.167 178.982 175.900 -0.142 0.000 1.130 106 Y CA 2.259 60.309 58.100 -0.083 0.000 1.179 106 Y CB -0.030 38.397 38.460 -0.055 0.000 0.998 106 Y HN 0.323 nan 8.280 nan 0.000 0.532 107 Q N -0.636 119.086 119.800 -0.130 0.000 2.269 107 Q HA 0.038 4.430 4.340 0.087 0.000 0.201 107 Q C 2.228 177.639 176.000 -0.982 0.000 0.946 107 Q CA 1.294 56.815 55.803 -0.469 0.000 0.877 107 Q CB -1.085 27.455 28.738 -0.330 0.000 0.963 107 Q HN 0.419 nan 8.270 nan 0.000 0.472 108 V N -0.138 119.328 119.914 -0.746 0.000 2.223 108 V HA 0.144 4.317 4.120 0.087 0.000 0.244 108 V C 1.878 177.818 176.094 -0.258 0.000 1.045 108 V CA 3.230 65.261 62.300 -0.448 0.000 1.000 108 V CB -0.704 31.109 31.823 -0.015 0.000 0.635 108 V HN 1.399 nan 8.190 nan 0.000 0.445 118 S N -1.183 114.640 115.700 0.204 0.000 2.776 118 S HA 0.657 5.179 4.470 0.087 0.000 0.292 118 S C 0.665 175.448 174.600 0.306 0.000 1.187 118 S CA 0.357 58.668 58.200 0.184 0.000 0.834 118 S CB 1.643 64.923 63.200 0.133 0.000 1.199 118 S HN 1.188 nan 8.310 nan 0.000 0.514 119 E N 0.339 120.693 120.200 0.256 0.000 2.268 119 E HA -0.049 4.353 4.350 0.087 0.000 0.195 119 E C 1.380 178.270 176.600 0.484 0.000 0.995 119 E CA 1.377 57.997 56.400 0.368 0.000 0.836 119 E CB -0.089 29.740 29.700 0.215 0.000 0.763 119 E HN 0.550 nan 8.360 nan 0.000 0.491 120 E N -0.664 119.697 120.200 0.269 0.000 2.230 120 E HA 0.141 4.543 4.350 0.087 0.000 0.192 120 E C 0.992 177.586 176.600 -0.011 0.000 0.987 120 E CA 0.929 57.401 56.400 0.120 0.000 0.841 120 E CB 0.616 30.351 29.700 0.058 0.000 0.783 120 E HN 0.306 nan 8.360 nan 0.000 0.481 121 G N -0.378 108.481 108.800 0.099 0.000 2.384 121 G HA2 0.028 4.040 3.960 0.087 0.000 0.150 121 G HA3 0.028 4.040 3.960 0.087 0.000 0.150 121 G C -1.469 173.538 174.900 0.178 0.000 1.269 121 G CA -0.133 44.959 45.100 -0.013 0.000 1.094 121 G HN 0.134 nan 8.290 nan 0.000 0.467 122 V N 0.819 120.799 119.914 0.111 0.000 2.808 122 V HA 0.821 4.994 4.120 0.087 0.000 0.308 122 V C -0.223 175.918 176.094 0.077 0.000 1.099 122 V CA 0.713 63.102 62.300 0.148 0.000 0.920 122 V CB 1.840 33.804 31.823 0.236 0.000 1.014 122 V HN 1.407 nan 8.190 nan 0.000 0.425 133 H N -1.298 117.768 119.070 -0.008 0.000 3.068 133 H HA 1.068 5.676 4.556 0.087 0.000 0.342 133 H C -0.521 174.802 175.328 -0.009 0.000 1.284 133 H CA 0.196 56.233 56.048 -0.018 0.000 1.181 133 H CB 1.167 30.912 29.762 -0.028 0.000 1.898 133 H HN 2.124 nan 8.280 nan 0.000 0.540 134 M N 1.389 120.971 119.600 -0.030 0.000 2.530 134 M HA 0.879 5.411 4.480 0.087 0.000 0.307 134 M C -1.860 174.389 176.300 -0.086 0.000 1.161 134 M CA -1.089 54.185 55.300 -0.043 0.000 0.903 134 M CB 1.303 33.870 32.600 -0.054 0.000 1.711 134 M HN 1.049 nan 8.290 nan 0.000 0.451 135 L N 2.467 123.618 121.223 -0.119 0.000 2.464 135 L HA 0.940 5.332 4.340 0.087 0.000 0.266 135 L C 0.062 176.628 176.870 -0.507 0.000 0.965 135 L CA -0.418 54.248 54.840 -0.290 0.000 0.833 135 L CB 2.218 44.173 42.059 -0.173 0.000 1.296 135 L HN 1.314 nan 8.230 nan 0.000 0.405 136 S N 3.094 118.326 115.700 -0.780 0.000 2.685 136 S HA 0.735 5.257 4.470 0.087 0.000 0.282 136 S C -2.566 171.390 174.600 -1.073 0.000 1.159 136 S CA -1.218 56.465 58.200 -0.863 0.000 0.833 136 S CB 1.834 64.767 63.200 -0.445 0.000 1.151 136 S HN 0.337 nan 8.310 nan 0.000 0.485 137 P HA -0.091 nan 4.420 nan 0.000 0.215 137 P C 0.922 178.078 177.300 -0.240 0.000 1.157 137 P CA 1.555 64.450 63.100 -0.341 0.000 0.874 137 P CB -0.035 31.579 31.700 -0.143 0.000 0.790 138 E N -1.009 119.059 120.200 -0.221 0.000 2.072 138 E HA -0.179 4.223 4.350 0.087 0.000 0.191 138 E C 2.159 178.670 176.600 -0.149 0.000 0.985 138 E CA 0.996 57.316 56.400 -0.133 0.000 0.801 138 E CB -0.579 29.057 29.700 -0.107 0.000 0.750 138 E HN 0.020 nan 8.360 nan 0.000 0.452 139 R N 0.403 120.772 120.500 -0.219 0.000 2.092 139 R HA 0.018 4.411 4.340 0.087 0.000 0.231 139 R C 2.243 178.438 176.300 -0.174 0.000 1.119 139 R CA 1.609 57.599 56.100 -0.185 0.000 0.970 139 R CB -0.813 29.359 30.300 -0.214 0.000 0.864 139 R HN 0.135 nan 8.270 nan 0.000 0.440 140 S N -0.269 115.265 115.700 -0.277 0.000 2.356 140 S HA -0.040 4.482 4.470 0.087 0.000 0.223 140 S C 1.775 176.361 174.600 -0.024 0.000 1.032 140 S CA 1.210 59.308 58.200 -0.170 0.000 1.005 140 S CB -0.220 62.818 63.200 -0.271 0.000 0.867 140 S HN 0.303 nan 8.310 nan 0.000 0.449 141 I N 2.092 122.659 120.570 -0.004 0.000 2.286 141 I HA -0.092 4.131 4.170 0.087 0.000 0.248 141 I C 2.497 178.660 176.117 0.078 0.000 1.115 141 I CA 1.334 62.685 61.300 0.085 0.000 1.392 141 I CB -1.545 36.521 38.000 0.111 0.000 1.065 141 I HN 0.541 nan 8.210 nan 0.000 0.418 142 E N 1.145 121.359 120.200 0.023 0.000 2.051 142 E HA -0.204 4.198 4.350 0.087 0.000 0.192 142 E C 2.420 179.058 176.600 0.063 0.000 0.991 142 E CA 1.159 57.585 56.400 0.043 0.000 0.799 142 E CB -0.040 29.658 29.700 -0.004 0.000 0.748 142 E HN 0.424 nan 8.360 nan 0.000 0.449 143 I N 1.078 121.656 120.570 0.015 0.000 2.163 143 I HA -0.327 3.896 4.170 0.087 0.000 0.243 143 I C 2.629 178.764 176.117 0.030 0.000 1.085 143 I CA 1.432 62.736 61.300 0.005 0.000 1.347 143 I CB -0.256 37.737 38.000 -0.013 0.000 1.044 143 I HN 0.203 nan 8.210 nan 0.000 0.408 144 Q N -0.669 119.170 119.800 0.065 0.000 2.167 144 Q HA -0.270 4.123 4.340 0.087 0.000 0.202 144 Q C 2.110 178.167 176.000 0.095 0.000 0.970 144 Q CA 1.596 57.449 55.803 0.082 0.000 0.855 144 Q CB -0.303 28.505 28.738 0.117 0.000 0.911 144 Q HN 0.578 nan 8.270 nan 0.000 0.438 145 H N 0.823 119.904 119.070 0.019 0.000 2.357 145 H HA -0.058 4.551 4.556 0.088 0.000 0.301 145 H C 1.774 177.099 175.328 -0.005 0.000 1.082 145 H CA 1.407 57.453 56.048 -0.004 0.000 1.342 145 H CB -0.141 29.599 29.762 -0.037 0.000 1.389 145 H HN 0.111 nan 8.280 nan 0.000 0.511 146 L N -0.239 120.885 121.223 -0.165 0.000 2.083 146 L HA -0.150 4.242 4.340 0.087 0.000 0.209 146 L C 2.432 179.206 176.870 -0.160 0.000 1.083 146 L CA 0.973 55.693 54.840 -0.200 0.000 0.752 146 L CB -0.342 41.667 42.059 -0.084 0.000 0.899 146 L HN 0.313 nan 8.230 nan 0.000 0.433 147 L N -0.418 120.751 121.223 -0.090 0.000 2.201 147 L HA -0.049 4.343 4.340 0.087 0.000 0.212 147 L C 1.527 178.391 176.870 -0.009 0.000 1.105 147 L CA 0.885 55.696 54.840 -0.049 0.000 0.775 147 L CB -0.798 41.250 42.059 -0.018 0.000 0.913 147 L HN 0.525 nan 8.230 nan 0.000 0.440 148 G N 0.305 109.089 108.800 -0.028 0.000 2.149 148 G HA2 -0.284 3.728 3.960 0.087 0.000 0.235 148 G HA3 -0.284 3.728 3.960 0.087 0.000 0.235 148 G C 0.351 175.361 174.900 0.184 0.000 1.018 148 G CA 0.336 45.462 45.100 0.042 0.000 0.728 148 G HN 0.363 nan 8.290 nan 0.000 0.508 149 S N -0.392 115.389 115.700 0.137 0.000 2.558 149 S HA 0.207 4.730 4.470 0.087 0.000 0.293 149 S C 1.432 176.137 174.600 0.175 0.000 1.292 149 S CA 0.862 59.148 58.200 0.144 0.000 1.063 149 S CB 0.428 63.679 63.200 0.087 0.000 0.831 149 S HN 0.312 nan 8.310 nan 0.000 0.499 150 D N 3.126 123.634 120.400 0.181 0.000 2.183 150 D HA 0.111 4.803 4.640 0.087 0.000 0.205 150 D C 0.277 176.638 176.300 0.102 0.000 0.962 150 D CA 0.979 55.073 54.000 0.156 0.000 0.849 150 D CB 0.169 41.072 40.800 0.172 0.000 0.978 150 D HN 0.525 nan 8.370 nan 0.000 0.488 151 I N 2.076 122.644 120.570 -0.003 0.000 2.355 151 I HA 0.154 4.376 4.170 0.087 0.000 0.288 151 I C -0.509 175.526 176.117 -0.137 0.000 0.999 151 I CA -0.602 60.593 61.300 -0.176 0.000 1.163 151 I CB 2.376 40.095 38.000 -0.468 0.000 1.316 151 I HN -0.355 nan 8.210 nan 0.000 0.454 152 V N 6.827 126.706 119.914 -0.058 0.000 2.439 152 V HA 0.397 4.569 4.120 0.087 0.000 0.282 152 V C 0.360 176.440 176.094 -0.025 0.000 1.039 152 V CA -0.573 61.748 62.300 0.035 0.000 0.913 152 V CB 1.556 33.511 31.823 0.220 0.000 0.983 152 V HN 0.578 nan 8.190 nan 0.000 0.460 153 M N 3.608 123.222 119.600 0.023 0.000 2.264 153 M HA 0.515 5.048 4.480 0.087 0.000 0.352 153 M C 0.383 176.733 176.300 0.083 0.000 1.173 153 M CA -0.462 54.862 55.300 0.041 0.000 1.075 153 M CB 1.211 33.849 32.600 0.063 0.000 1.621 153 M HN 0.735 nan 8.290 nan 0.000 0.457 154 A N 3.062 125.907 122.820 0.042 0.000 2.520 154 A HA 0.174 4.546 4.320 0.087 0.000 0.235 154 A C -0.496 177.193 177.584 0.175 0.000 1.065 154 A CA -0.078 52.018 52.037 0.098 0.000 0.764 154 A CB -0.095 18.889 19.000 -0.026 0.000 1.002 154 A HN 0.747 nan 8.150 nan 0.000 0.502 155 F N 2.692 122.694 119.950 0.087 0.000 2.424 155 F HA 0.409 4.988 4.527 0.086 0.000 0.356 155 F C 0.123 176.089 175.800 0.277 0.000 1.110 155 F CA -0.357 57.708 58.000 0.109 0.000 1.161 155 F CB 0.588 39.581 39.000 -0.012 0.000 1.115 155 F HN 0.736 nan 8.300 nan 0.000 0.507 156 D N 3.669 123.939 120.400 -0.216 0.000 2.450 156 D HA 0.230 4.922 4.640 0.087 0.000 0.238 156 D C -1.432 174.786 176.300 -0.137 0.000 1.020 156 D CA -0.861 53.114 54.000 -0.041 0.000 1.010 156 D CB 1.343 42.114 40.800 -0.049 0.000 1.342 156 D HN 0.596 nan 8.370 nan 0.000 0.530 157 E N -0.237 119.896 120.200 -0.112 0.000 2.113 157 E HA 0.400 4.802 4.350 0.087 0.000 0.273 157 E C -1.107 175.439 176.600 -0.090 0.000 0.924 157 E CA -0.771 55.539 56.400 -0.149 0.000 0.764 157 E CB 1.059 30.537 29.700 -0.369 0.000 1.104 157 E HN 0.448 nan 8.360 nan 0.000 0.406 158 C N 3.248 122.527 119.300 -0.035 0.000 2.443 158 C HA 0.428 4.940 4.460 0.087 0.000 0.369 158 C C 0.065 175.056 174.990 0.001 0.000 1.241 158 C CA -0.191 58.836 59.018 0.016 0.000 2.413 158 C CB 0.553 28.359 27.740 0.111 0.000 2.451 158 C HN 0.745 nan 8.230 nan 0.000 0.595 159 T N 5.978 120.550 114.554 0.030 0.000 2.801 159 T HA 0.302 4.704 4.350 0.087 0.000 0.306 159 T C -2.310 172.433 174.700 0.073 0.000 1.020 159 T CA -0.455 61.670 62.100 0.041 0.000 0.948 159 T CB 0.591 69.493 68.868 0.057 0.000 0.962 159 T HN 0.639 nan 8.240 nan 0.000 0.465 160 P HA -0.135 nan 4.420 nan 0.000 0.267 160 P C -1.046 176.328 177.300 0.123 0.000 1.158 160 P CA 0.147 63.285 63.100 0.064 0.000 0.756 160 P CB 0.316 32.029 31.700 0.022 0.000 0.766 161 Y N 4.531 124.839 120.300 0.013 0.000 2.335 161 Y HA 0.441 5.043 4.550 0.088 0.000 0.338 161 Y C -1.864 174.042 175.900 0.010 0.000 0.977 161 Y CA -2.274 55.833 58.100 0.011 0.000 1.114 161 Y CB 0.872 39.335 38.460 0.005 0.000 1.182 161 Y HN 0.324 nan 8.280 nan 0.000 0.463 162 P HA 0.626 nan 4.420 nan 0.000 0.276 162 P C -1.731 175.437 177.300 -0.221 0.000 1.252 162 P CA -0.567 62.041 63.100 -0.820 0.000 0.802 162 P CB 1.584 32.845 31.700 -0.731 0.000 1.035 163 A N 0.565 123.348 122.820 -0.062 0.000 2.414 163 A HA 0.635 5.007 4.320 0.087 0.000 0.306 163 A C 0.200 177.880 177.584 0.160 0.000 1.054 163 A CA -0.520 51.558 52.037 0.068 0.000 0.724 163 A CB 1.013 20.089 19.000 0.127 0.000 1.267 163 A HN 0.673 nan 8.150 nan 0.000 0.418 164 T N 0.164 114.766 114.554 0.080 0.000 2.868 164 T HA 0.419 4.821 4.350 0.087 0.000 0.292 164 T C -1.848 172.829 174.700 -0.038 0.000 1.028 164 T CA -1.130 61.001 62.100 0.050 0.000 1.059 164 T CB 0.608 69.466 68.868 -0.016 0.000 0.991 164 T HN 0.263 nan 8.240 nan 0.000 0.531 165 P HA -0.155 nan 4.420 nan 0.000 0.216 165 P C 1.967 179.079 177.300 -0.313 0.000 1.153 165 P CA 1.294 63.985 63.100 -0.681 0.000 0.858 165 P CB -0.108 31.192 31.700 -0.666 0.000 0.789 166 S N -1.034 114.556 115.700 -0.183 0.000 2.356 166 S HA -0.246 4.277 4.470 0.087 0.000 0.223 166 S C 2.307 176.858 174.600 -0.080 0.000 1.032 166 S CA 1.973 60.103 58.200 -0.117 0.000 1.005 166 S CB -0.802 62.347 63.200 -0.085 0.000 0.867 166 S HN 0.017 nan 8.310 nan 0.000 0.449 167 R N 0.807 121.274 120.500 -0.055 0.000 2.073 167 R HA 0.271 4.664 4.340 0.087 0.000 0.234 167 R C 2.634 178.927 176.300 -0.011 0.000 1.134 167 R CA 1.967 58.050 56.100 -0.029 0.000 0.952 167 R CB -1.798 28.495 30.300 -0.012 0.000 0.850 167 R HN 0.685 nan 8.270 nan 0.000 0.433 168 A N 0.829 123.664 122.820 0.025 0.000 1.902 168 A HA 0.214 4.586 4.320 0.087 0.000 0.217 168 A C 2.830 180.427 177.584 0.022 0.000 1.181 168 A CA 2.069 54.154 52.037 0.081 0.000 0.623 168 A CB -0.902 18.256 19.000 0.263 0.000 0.818 168 A HN 0.972 nan 8.150 nan 0.000 0.443 169 A N -0.454 122.346 122.820 -0.032 0.000 1.877 169 A HA -0.098 4.275 4.320 0.087 0.000 0.216 169 A C 2.454 180.005 177.584 -0.056 0.000 1.186 169 A CA 2.176 54.184 52.037 -0.048 0.000 0.620 169 A CB -0.991 17.960 19.000 -0.081 0.000 0.822 169 A HN 0.468 nan 8.150 nan 0.000 0.443 170 S N -0.119 115.543 115.700 -0.063 0.000 2.382 170 S HA -0.117 4.405 4.470 0.087 0.000 0.228 170 S C 2.263 176.798 174.600 -0.108 0.000 1.027 170 S CA 1.449 59.602 58.200 -0.078 0.000 0.991 170 S CB -0.297 62.861 63.200 -0.070 0.000 0.823 170 S HN 0.594 nan 8.310 nan 0.000 0.469 171 S N 1.090 116.733 115.700 -0.096 0.000 2.387 171 S HA 0.060 4.583 4.470 0.087 0.000 0.226 171 S C 1.874 176.387 174.600 -0.146 0.000 1.026 171 S CA 0.766 58.885 58.200 -0.135 0.000 0.972 171 S CB -0.253 62.896 63.200 -0.086 0.000 0.814 171 S HN 0.435 nan 8.310 nan 0.000 0.477 172 M N 1.683 121.234 119.600 -0.082 0.000 2.132 172 M HA -0.077 4.455 4.480 0.087 0.000 0.263 172 M C 1.622 177.871 176.300 -0.084 0.000 1.065 172 M CA 1.709 56.972 55.300 -0.062 0.000 1.122 172 M CB -0.768 31.825 32.600 -0.012 0.000 1.365 172 M HN 0.246 nan 8.290 nan 0.000 0.411 173 E N -0.126 120.021 120.200 -0.088 0.000 2.077 173 E HA -0.236 4.166 4.350 0.087 0.000 0.193 173 E C 2.162 178.680 176.600 -0.137 0.000 0.989 173 E CA 1.514 57.864 56.400 -0.084 0.000 0.800 173 E CB -0.269 29.389 29.700 -0.070 0.000 0.746 173 E HN 0.521 nan 8.360 nan 0.000 0.452 174 R N 0.605 120.961 120.500 -0.240 0.000 2.081 174 R HA -0.112 4.281 4.340 0.087 0.000 0.235 174 R C 2.293 178.265 176.300 -0.548 0.000 1.131 174 R CA 1.657 57.483 56.100 -0.457 0.000 0.960 174 R CB -0.125 29.804 30.300 -0.620 0.000 0.856 174 R HN -0.011 nan 8.270 nan 0.000 0.436 175 S N 0.467 115.940 115.700 -0.379 0.000 2.387 175 S HA -0.146 4.377 4.470 0.087 0.000 0.230 175 S C 1.854 176.450 174.600 -0.007 0.000 1.035 175 S CA 1.523 59.618 58.200 -0.175 0.000 1.014 175 S CB -0.090 63.045 63.200 -0.109 0.000 0.836 175 S HN 0.318 nan 8.310 nan 0.000 0.466 176 M N 0.979 120.569 119.600 -0.017 0.000 2.200 176 M HA 0.041 4.573 4.480 0.087 0.000 0.265 176 M C 2.022 178.391 176.300 0.114 0.000 1.066 176 M CA 1.213 56.550 55.300 0.063 0.000 1.127 176 M CB -1.224 31.404 32.600 0.047 0.000 1.379 176 M HN 0.257 nan 8.290 nan 0.000 0.420 177 R N -0.884 119.662 120.500 0.076 0.000 2.091 177 R HA -0.190 4.202 4.340 0.087 0.000 0.238 177 R C 2.069 178.571 176.300 0.337 0.000 1.136 177 R CA 1.438 57.631 56.100 0.155 0.000 0.959 177 R CB -0.304 30.056 30.300 0.101 0.000 0.856 177 R HN 0.384 nan 8.270 nan 0.000 0.437 178 W N 0.349 121.709 121.300 0.100 0.000 2.467 178 W HA 0.085 4.797 4.660 0.087 0.000 0.275 178 W C 2.305 178.917 176.519 0.155 0.000 1.239 178 W CA 0.383 57.812 57.345 0.140 0.000 1.266 178 W CB -0.733 28.819 29.460 0.153 0.000 1.112 178 W HN 0.173 nan 8.180 nan 0.000 0.576 179 A N 0.216 123.250 122.820 0.356 0.000 1.930 179 A HA -0.180 4.192 4.320 0.087 0.000 0.217 179 A C 2.034 179.845 177.584 0.379 0.000 1.175 179 A CA 2.046 54.282 52.037 0.331 0.000 0.627 179 A CB -0.560 18.599 19.000 0.266 0.000 0.815 179 A HN 0.098 nan 8.150 nan 0.000 0.443 180 K N 0.304 120.874 120.400 0.283 0.000 2.026 180 K HA -0.075 4.298 4.320 0.087 0.000 0.208 180 K C 2.043 178.744 176.600 0.169 0.000 1.048 180 K CA 1.680 58.083 56.287 0.194 0.000 0.929 180 K CB -0.358 32.230 32.500 0.146 0.000 0.713 180 K HN 0.429 nan 8.250 nan 0.000 0.439 181 R N -0.142 120.475 120.500 0.195 0.000 2.120 181 R HA -0.038 4.355 4.340 0.087 0.000 0.234 181 R C 2.374 178.756 176.300 0.137 0.000 1.123 181 R CA 1.571 57.759 56.100 0.146 0.000 0.975 181 R CB -0.261 30.121 30.300 0.137 0.000 0.866 181 R HN 0.153 nan 8.270 nan 0.000 0.446 182 S N 0.393 116.209 115.700 0.194 0.000 2.368 182 S HA -0.140 4.382 4.470 0.087 0.000 0.224 182 S C 1.786 176.507 174.600 0.202 0.000 1.029 182 S CA 1.263 59.582 58.200 0.198 0.000 0.988 182 S CB -0.164 63.185 63.200 0.248 0.000 0.838 182 S HN 0.228 nan 8.310 nan 0.000 0.462 183 R N 1.939 122.553 120.500 0.189 0.000 2.083 183 R HA -0.122 4.270 4.340 0.087 0.000 0.237 183 R C 1.428 177.789 176.300 0.102 0.000 1.137 183 R CA 2.030 58.173 56.100 0.072 0.000 0.951 183 R CB -0.701 29.539 30.300 -0.099 0.000 0.851 183 R HN 0.220 nan 8.270 nan 0.000 0.434 184 D N -0.076 120.375 120.400 0.085 0.000 2.144 184 D HA -0.064 4.629 4.640 0.087 0.000 0.200 184 D C 1.734 178.079 176.300 0.076 0.000 0.978 184 D CA 1.587 55.627 54.000 0.068 0.000 0.833 184 D CB -0.404 40.426 40.800 0.050 0.000 0.961 184 D HN 0.409 nan 8.370 nan 0.000 0.470 185 A N 0.505 123.378 122.820 0.088 0.000 1.877 185 A HA -0.169 4.203 4.320 0.087 0.000 0.216 185 A C 2.108 179.740 177.584 0.081 0.000 1.186 185 A CA 1.014 53.088 52.037 0.061 0.000 0.620 185 A CB -1.021 18.009 19.000 0.050 0.000 0.822 185 A HN 0.252 nan 8.150 nan 0.000 0.443 186 F N 1.310 121.256 119.950 -0.007 0.000 2.102 186 F HA -0.185 4.394 4.527 0.086 0.000 0.298 186 F C 1.594 177.373 175.800 -0.034 0.000 1.105 186 F CA 2.158 60.151 58.000 -0.012 0.000 1.239 186 F CB -0.161 38.853 39.000 0.024 0.000 0.991 186 F HN 0.232 nan 8.300 nan 0.000 0.474 187 D N -0.550 119.974 120.400 0.206 0.000 2.269 187 D HA -0.091 4.601 4.640 0.087 0.000 0.208 187 D C 2.261 178.543 176.300 -0.029 0.000 0.963 187 D CA 1.071 55.122 54.000 0.085 0.000 0.864 187 D CB -0.198 40.662 40.800 0.100 0.000 0.936 187 D HN 0.236 nan 8.370 nan 0.000 0.505 188 S N -0.169 115.508 115.700 -0.038 0.000 2.561 188 S HA -0.006 4.517 4.470 0.087 0.000 0.225 188 S C 1.068 175.596 174.600 -0.120 0.000 0.977 188 S CA -0.033 58.130 58.200 -0.063 0.000 0.926 188 S CB 0.339 63.513 63.200 -0.043 0.000 0.769 188 S HN 0.110 nan 8.310 nan 0.000 0.533 189 R N 1.359 121.741 120.500 -0.197 0.000 2.278 189 R HA 0.370 4.762 4.340 0.087 0.000 0.322 189 R C 1.218 177.345 176.300 -0.289 0.000 1.058 189 R CA -0.011 55.915 56.100 -0.289 0.000 0.991 189 R CB 0.045 30.082 30.300 -0.438 0.000 1.140 189 R HN 0.149 nan 8.270 nan 0.000 0.518 190 K N 2.696 122.982 120.400 -0.189 0.000 2.044 190 K HA -0.245 4.128 4.320 0.087 0.000 0.210 190 K C 1.554 178.071 176.600 -0.139 0.000 1.049 190 K CA 2.075 58.281 56.287 -0.135 0.000 0.927 190 K CB -0.631 31.818 32.500 -0.083 0.000 0.713 190 K HN 0.781 nan 8.250 nan 0.000 0.443 191 E N -0.320 119.802 120.200 -0.130 0.000 2.106 191 E HA -0.241 4.161 4.350 0.087 0.000 0.192 191 E C 2.412 178.957 176.600 -0.091 0.000 0.984 191 E CA 1.326 57.689 56.400 -0.061 0.000 0.806 191 E CB 0.011 29.728 29.700 0.029 0.000 0.750 191 E HN 0.730 nan 8.360 nan 0.000 0.458 192 Q N -0.163 119.501 119.800 -0.226 0.000 2.049 192 Q HA -0.116 4.276 4.340 0.087 0.000 0.198 192 Q C 2.076 177.757 176.000 -0.531 0.000 0.971 192 Q CA 1.284 56.890 55.803 -0.328 0.000 0.833 192 Q CB -0.139 28.283 28.738 -0.528 0.000 0.896 192 Q HN 0.314 nan 8.270 nan 0.000 0.434 193 A N 0.814 123.286 122.820 -0.581 0.000 1.978 193 A HA -0.223 4.149 4.320 0.087 0.000 0.220 193 A C 1.635 179.184 177.584 -0.059 0.000 1.170 193 A CA 1.753 53.579 52.037 -0.350 0.000 0.636 193 A CB -0.403 18.489 19.000 -0.179 0.000 0.810 193 A HN 0.514 nan 8.150 nan 0.000 0.448 194 E N -0.966 119.198 120.200 -0.061 0.000 2.385 194 E HA 0.001 4.404 4.350 0.087 0.000 0.194 194 E C 0.793 177.419 176.600 0.043 0.000 1.013 194 E CA 0.455 56.861 56.400 0.009 0.000 0.866 194 E CB 0.078 29.775 29.700 -0.005 0.000 0.832 194 E HN 0.576 nan 8.360 nan 0.000 0.500 195 N N -0.436 118.285 118.700 0.035 0.000 2.239 195 N HA 0.144 4.936 4.740 0.087 0.000 0.208 195 N C -0.076 175.503 175.510 0.115 0.000 1.200 195 N CA 0.171 53.259 53.050 0.063 0.000 0.895 195 N CB 1.337 39.844 38.487 0.033 0.000 1.085 195 N HN -0.038 nan 8.380 nan 0.000 0.500 196 A N 0.459 123.371 122.820 0.153 0.000 2.344 196 A HA 0.891 5.264 4.320 0.087 0.000 0.307 196 A C -0.839 176.985 177.584 0.398 0.000 1.151 196 A CA -0.463 51.728 52.037 0.257 0.000 0.842 196 A CB 1.352 20.510 19.000 0.263 0.000 1.350 196 A HN 0.085 nan 8.150 nan 0.000 0.459 197 A N -0.580 122.409 122.820 0.282 0.000 2.380 197 A HA 0.728 5.100 4.320 0.087 0.000 0.315 197 A C -1.349 176.138 177.584 -0.161 0.000 1.101 197 A CA -0.440 51.612 52.037 0.024 0.000 0.771 197 A CB 1.221 20.116 19.000 -0.176 0.000 1.287 197 A HN 1.462 nan 8.150 nan 0.000 0.436 198 L N 1.567 122.536 121.223 -0.423 0.000 2.356 198 L HA 0.772 5.164 4.340 0.087 0.000 0.277 198 L C -1.812 175.104 176.870 0.077 0.000 0.996 198 L CA -0.325 54.264 54.840 -0.419 0.000 0.822 198 L CB 1.000 42.485 42.059 -0.956 0.000 1.256 198 L HN 0.525 nan 8.230 nan 0.000 0.413 199 F N 2.557 122.357 119.950 -0.249 0.000 2.450 199 F HA 0.756 5.337 4.527 0.088 0.000 0.332 199 F C 0.952 176.408 175.800 -0.573 0.000 1.093 199 F CA -1.159 56.640 58.000 -0.335 0.000 1.003 199 F CB 1.874 40.747 39.000 -0.212 0.000 1.151 199 F HN 0.554 nan 8.300 nan 0.000 0.474 200 G N 2.494 110.716 108.800 -0.964 0.000 2.412 200 G HA2 0.644 4.656 3.960 0.087 0.000 0.318 200 G HA3 0.644 4.656 3.960 0.087 0.000 0.318 200 G C -1.034 173.568 174.900 -0.497 0.000 1.146 200 G CA -0.573 43.740 45.100 -1.311 0.000 0.882 200 G HN 0.516 nan 8.290 nan 0.000 0.501 201 I N 0.701 121.083 120.570 -0.314 0.000 2.418 201 I HA 0.230 4.453 4.170 0.087 0.000 0.287 201 I C 0.169 176.227 176.117 -0.098 0.000 1.008 201 I CA -0.548 60.661 61.300 -0.153 0.000 1.104 201 I CB 2.037 39.964 38.000 -0.122 0.000 1.264 201 I HN 0.414 nan 8.210 nan 0.000 0.438 202 Q N 6.077 125.840 119.800 -0.062 0.000 2.314 202 Q HA 0.242 4.634 4.340 0.087 0.000 0.258 202 Q C -0.876 175.103 176.000 -0.035 0.000 0.954 202 Q CA -0.227 55.557 55.803 -0.032 0.000 0.890 202 Q CB 1.125 29.849 28.738 -0.024 0.000 1.210 202 Q HN 0.532 nan 8.270 nan 0.000 0.410 203 Q N 1.196 120.987 119.800 -0.014 0.000 2.852 203 Q HA 0.552 4.944 4.340 0.087 0.000 0.262 203 Q C 0.132 176.155 176.000 0.039 0.000 1.051 203 Q CA -0.034 55.770 55.803 0.001 0.000 0.894 203 Q CB 1.717 30.446 28.738 -0.015 0.000 1.381 203 Q HN 0.979 nan 8.270 nan 0.000 0.501 204 G N -0.306 108.535 108.800 0.069 0.000 2.183 204 G HA2 -0.202 3.810 3.960 0.087 0.000 0.168 204 G HA3 -0.202 3.810 3.960 0.087 0.000 0.168 204 G C 0.335 175.355 174.900 0.199 0.000 1.008 204 G CA 0.937 46.119 45.100 0.137 0.000 0.677 204 G HN 0.838 nan 8.290 nan 0.000 0.498 205 S N -2.159 113.617 115.700 0.127 0.000 3.949 205 S HA -0.355 4.168 4.470 0.087 0.000 0.626 205 S C 1.826 176.409 174.600 -0.028 0.000 2.168 205 S CA 3.408 61.656 58.200 0.081 0.000 4.124 205 S CB -1.249 62.053 63.200 0.171 0.000 0.220 205 S HN 2.035 nan 8.310 nan 0.000 0.750 206 V N -0.104 119.637 119.914 -0.287 0.000 3.514 206 V HA 0.537 4.709 4.120 0.087 0.000 0.301 206 V C 0.318 176.229 176.094 -0.306 0.000 1.346 206 V CA 0.375 62.506 62.300 -0.282 0.000 1.156 206 V CB -0.795 30.859 31.823 -0.282 0.000 1.029 206 V HN 0.480 nan 8.190 nan 0.000 0.428 207 F N 1.469 121.524 119.950 0.173 0.000 2.404 207 F HA 0.472 5.052 4.527 0.087 0.000 0.358 207 F C 1.593 177.388 175.800 -0.009 0.000 1.120 207 F CA -0.683 57.357 58.000 0.067 0.000 1.144 207 F CB 1.237 40.252 39.000 0.024 0.000 1.133 207 F HN 0.151 nan 8.300 nan 0.000 0.495 208 E N 3.248 123.335 120.200 -0.188 0.000 2.085 208 E HA -0.303 4.100 4.350 0.087 0.000 0.194 208 E C 1.765 178.257 176.600 -0.180 0.000 0.994 208 E CA 2.149 58.205 56.400 -0.573 0.000 0.801 208 E CB -0.050 28.979 29.700 -1.118 0.000 0.743 208 E HN 0.875 nan 8.360 nan 0.000 0.453 209 N N -0.334 118.313 118.700 -0.089 0.000 2.166 209 N HA -0.197 4.596 4.740 0.087 0.000 0.186 209 N C 1.794 177.306 175.510 0.005 0.000 1.019 209 N CA 0.963 53.988 53.050 -0.043 0.000 0.856 209 N CB -0.159 38.303 38.487 -0.040 0.000 0.993 209 N HN 0.094 nan 8.380 nan 0.000 0.426 210 L N 0.925 122.184 121.223 0.060 0.000 2.109 210 L HA 0.069 4.461 4.340 0.087 0.000 0.207 210 L C 2.560 179.474 176.870 0.074 0.000 1.086 210 L CA 1.168 56.050 54.840 0.071 0.000 0.760 210 L CB -0.819 41.317 42.059 0.129 0.000 0.910 210 L HN 0.215 nan 8.230 nan 0.000 0.437 211 R N -0.693 119.870 120.500 0.106 0.000 2.096 211 R HA -0.177 4.215 4.340 0.087 0.000 0.235 211 R C 2.134 178.470 176.300 0.060 0.000 1.127 211 R CA 1.061 57.226 56.100 0.109 0.000 0.968 211 R CB -0.367 30.064 30.300 0.219 0.000 0.861 211 R HN 0.371 nan 8.270 nan 0.000 0.440 212 Q N 1.181 121.003 119.800 0.036 0.000 2.079 212 Q HA -0.143 4.249 4.340 0.087 0.000 0.200 212 Q C 1.908 177.912 176.000 0.006 0.000 0.974 212 Q CA 1.666 57.475 55.803 0.010 0.000 0.840 212 Q CB -0.002 28.728 28.738 -0.013 0.000 0.898 212 Q HN 0.353 nan 8.270 nan 0.000 0.430 213 Q N -0.925 118.880 119.800 0.010 0.000 2.119 213 Q HA -0.105 4.288 4.340 0.087 0.000 0.201 213 Q C 2.161 178.172 176.000 0.018 0.000 0.972 213 Q CA 1.373 57.181 55.803 0.009 0.000 0.847 213 Q CB -0.164 28.576 28.738 0.004 0.000 0.903 213 Q HN 0.359 nan 8.270 nan 0.000 0.433 214 S N 0.165 115.878 115.700 0.022 0.000 2.355 214 S HA -0.134 4.388 4.470 0.087 0.000 0.222 214 S C 2.011 176.629 174.600 0.030 0.000 1.031 214 S CA 1.033 59.249 58.200 0.027 0.000 0.993 214 S CB -0.210 63.005 63.200 0.024 0.000 0.859 214 S HN 0.449 nan 8.310 nan 0.000 0.453 215 A N 1.544 124.369 122.820 0.009 0.000 1.908 215 A HA -0.141 4.232 4.320 0.087 0.000 0.218 215 A C 1.874 179.450 177.584 -0.013 0.000 1.181 215 A CA 2.043 54.064 52.037 -0.025 0.000 0.627 215 A CB -0.989 17.973 19.000 -0.062 0.000 0.818 215 A HN 0.568 nan 8.150 nan 0.000 0.445 216 D N 0.068 120.468 120.400 0.002 0.000 2.117 216 D HA -0.068 4.625 4.640 0.087 0.000 0.197 216 D C 2.248 178.576 176.300 0.048 0.000 0.987 216 D CA 1.621 55.629 54.000 0.013 0.000 0.829 216 D CB -0.504 40.302 40.800 0.009 0.000 0.961 216 D HN 0.432 nan 8.370 nan 0.000 0.460 217 A N 0.546 123.403 122.820 0.062 0.000 1.902 217 A HA -0.105 4.267 4.320 0.087 0.000 0.217 217 A C 2.404 180.086 177.584 0.164 0.000 1.181 217 A CA 0.905 52.997 52.037 0.092 0.000 0.623 217 A CB -0.725 18.323 19.000 0.081 0.000 0.818 217 A HN 0.199 nan 8.150 nan 0.000 0.443 218 L N -0.930 120.415 121.223 0.202 0.000 2.056 218 L HA -0.141 4.251 4.340 0.087 0.000 0.207 218 L C 3.079 180.234 176.870 0.476 0.000 1.078 218 L CA 0.984 56.069 54.840 0.407 0.000 0.749 218 L CB -0.532 41.748 42.059 0.368 0.000 0.901 218 L HN 0.425 nan 8.230 nan 0.000 0.433 219 A N 0.238 123.205 122.820 0.245 0.000 1.933 219 A HA -0.210 4.163 4.320 0.087 0.000 0.218 219 A C 2.397 180.059 177.584 0.130 0.000 1.175 219 A CA 1.897 54.032 52.037 0.164 0.000 0.628 219 A CB -0.753 18.244 19.000 -0.005 0.000 0.814 219 A HN 0.446 nan 8.150 nan 0.000 0.444 220 E N 0.127 120.388 120.200 0.102 0.000 2.077 220 E HA -0.114 4.288 4.350 0.087 0.000 0.193 220 E C 1.810 178.436 176.600 0.043 0.000 0.989 220 E CA 1.419 57.856 56.400 0.062 0.000 0.800 220 E CB -0.786 28.946 29.700 0.054 0.000 0.746 220 E HN 0.713 nan 8.360 nan 0.000 0.452 221 I N -0.527 120.080 120.570 0.062 0.000 2.202 221 I HA 0.207 4.429 4.170 0.087 0.000 0.242 221 I C 1.515 177.497 176.117 -0.225 0.000 1.091 221 I CA 1.222 62.484 61.300 -0.065 0.000 1.368 221 I CB -0.184 37.798 38.000 -0.030 0.000 1.058 221 I HN 0.514 nan 8.210 nan 0.000 0.410 222 G N 0.648 109.340 108.800 -0.181 0.000 3.322 222 G HA2 -0.151 3.861 3.960 0.087 0.000 0.686 222 G HA3 -0.151 3.861 3.960 0.087 0.000 0.686 222 G C -0.811 173.732 174.900 -0.596 0.000 1.015 222 G CA -0.871 44.136 45.100 -0.156 0.000 0.826 222 G HN 0.066 nan 8.290 nan 0.000 0.538 223 F N 0.474 120.341 119.950 -0.139 0.000 2.640 223 F HA 0.558 5.137 4.527 0.087 0.000 0.324 223 F C 1.008 176.534 175.800 -0.456 0.000 1.077 223 F CA -0.982 56.764 58.000 -0.423 0.000 0.965 223 F CB 1.564 40.118 39.000 -0.742 0.000 1.351 223 F HN 0.337 nan 8.300 nan 0.000 0.487 224 D N 0.250 120.454 120.400 -0.327 0.000 2.289 224 D HA 0.211 4.903 4.640 0.087 0.000 0.207 224 D C 0.588 176.502 176.300 -0.643 0.000 0.966 224 D CA 0.851 54.546 54.000 -0.509 0.000 0.868 224 D CB 0.477 40.750 40.800 -0.879 0.000 0.943 224 D HN 0.605 nan 8.370 nan 0.000 0.514 225 G N -0.724 107.411 108.800 -1.108 0.000 2.646 225 G HA2 0.474 4.486 3.960 0.087 0.000 0.291 225 G HA3 0.474 4.486 3.960 0.087 0.000 0.291 225 G C -2.084 171.912 174.900 -1.507 0.000 1.445 225 G CA -0.740 43.322 45.100 -1.731 0.000 0.814 225 G HN -0.061 nan 8.290 nan 0.000 0.495 226 Y N -0.104 119.824 120.300 -0.619 0.000 2.354 226 Y HA 0.669 5.271 4.550 0.087 0.000 0.330 226 Y C 0.476 176.302 175.900 -0.123 0.000 1.011 226 Y CA -0.665 57.272 58.100 -0.271 0.000 1.099 226 Y CB 2.342 40.715 38.460 -0.145 0.000 1.179 226 Y HN 0.837 nan 8.280 nan 0.000 0.442 227 A N 2.305 125.141 122.820 0.026 0.000 2.303 227 A HA 0.729 5.101 4.320 0.087 0.000 0.317 227 A C -0.857 176.672 177.584 -0.092 0.000 1.149 227 A CA -0.701 51.319 52.037 -0.029 0.000 0.822 227 A CB 0.702 19.630 19.000 -0.121 0.000 1.131 227 A HN 0.542 nan 8.150 nan 0.000 0.493 228 V N 2.899 122.727 119.914 -0.143 0.000 2.353 228 V HA 0.484 4.656 4.120 0.087 0.000 0.264 228 V C 1.070 177.058 176.094 -0.176 0.000 1.049 228 V CA 0.393 62.612 62.300 -0.134 0.000 0.896 228 V CB 0.454 32.204 31.823 -0.123 0.000 1.025 228 V HN 1.092 nan 8.190 nan 0.000 0.475 229 G N 2.789 111.504 108.800 -0.143 0.000 2.557 229 G HA2 0.555 4.567 3.960 0.087 0.000 0.302 229 G HA3 0.555 4.567 3.960 0.087 0.000 0.302 229 G C 0.884 175.724 174.900 -0.099 0.000 1.311 229 G CA -0.070 44.938 45.100 -0.152 0.000 1.030 229 G HN 1.494 nan 8.290 nan 0.000 0.509 230 G N -1.958 106.797 108.800 -0.076 0.000 2.155 230 G HA2 -0.217 3.795 3.960 0.087 0.000 0.257 230 G HA3 -0.217 3.795 3.960 0.087 0.000 0.257 230 G C 0.226 175.100 174.900 -0.043 0.000 0.983 230 G CA 0.812 45.902 45.100 -0.018 0.000 0.676 230 G HN 0.588 nan 8.290 nan 0.000 0.528 231 L N -1.675 119.495 121.223 -0.087 0.000 2.260 231 L HA 0.745 5.137 4.340 0.087 0.000 0.265 231 L C 1.576 178.390 176.870 -0.093 0.000 1.015 231 L CA -0.723 54.053 54.840 -0.107 0.000 0.826 231 L CB 1.510 43.505 42.059 -0.105 0.000 1.373 231 L HN 1.176 nan 8.230 nan 0.000 0.450 232 A N 0.379 123.142 122.820 -0.094 0.000 2.791 232 A HA -0.123 4.249 4.320 0.087 0.000 0.292 232 A C 0.356 177.934 177.584 -0.010 0.000 1.487 232 A CA 0.870 52.876 52.037 -0.052 0.000 0.760 232 A CB -2.171 16.811 19.000 -0.031 0.000 1.031 232 A HN 1.003 nan 8.150 nan 0.000 0.503 233 V N -4.643 115.245 119.914 -0.044 0.000 3.252 233 V HA 0.692 4.864 4.120 0.087 0.000 0.320 233 V C 1.316 177.415 176.094 0.010 0.000 1.459 233 V CA 0.667 62.989 62.300 0.037 0.000 1.095 233 V CB -0.058 31.819 31.823 0.089 0.000 0.997 233 V HN 2.403 nan 8.190 nan 0.000 0.469 234 G N 1.575 110.328 108.800 -0.079 0.000 2.198 234 G HA2 -0.193 3.819 3.960 0.087 0.000 0.156 234 G HA3 -0.193 3.819 3.960 0.087 0.000 0.156 234 G C 0.712 175.522 174.900 -0.149 0.000 1.012 234 G CA 0.288 45.371 45.100 -0.027 0.000 0.692 234 G HN 0.662 nan 8.290 nan 0.000 0.492 235 E N 1.450 121.352 120.200 -0.496 0.000 2.435 235 E HA 0.378 4.780 4.350 0.087 0.000 0.195 235 E C 1.176 177.629 176.600 -0.245 0.000 1.029 235 E CA 1.200 57.223 56.400 -0.628 0.000 0.865 235 E CB -0.168 28.951 29.700 -0.970 0.000 0.833 235 E HN 1.976 nan 8.360 nan 0.000 0.510 236 G N 1.771 110.466 108.800 -0.174 0.000 2.721 236 G HA2 -0.293 3.719 3.960 0.087 0.000 0.686 236 G HA3 -0.293 3.719 3.960 0.087 0.000 0.686 236 G C 0.115 174.896 174.900 -0.198 0.000 1.236 236 G CA 0.073 45.092 45.100 -0.134 0.000 0.786 236 G HN 0.220 nan 8.290 nan 0.000 0.616 237 Q N 0.172 119.828 119.800 -0.240 0.000 2.124 237 Q HA -0.152 4.240 4.340 0.087 0.000 0.202 237 Q C 1.972 177.655 176.000 -0.530 0.000 0.977 237 Q CA 2.298 57.818 55.803 -0.472 0.000 0.850 237 Q CB -0.090 28.333 28.738 -0.525 0.000 0.901 237 Q HN 0.687 nan 8.270 nan 0.000 0.429 238 D N 0.247 120.476 120.400 -0.285 0.000 2.104 238 D HA -0.191 4.501 4.640 0.087 0.000 0.194 238 D C 1.701 177.949 176.300 -0.087 0.000 0.994 238 D CA 1.584 55.497 54.000 -0.146 0.000 0.830 238 D CB -0.103 40.657 40.800 -0.067 0.000 0.959 238 D HN 0.336 nan 8.370 nan 0.000 0.452 239 E N -0.091 120.044 120.200 -0.109 0.000 2.107 239 E HA -0.083 4.320 4.350 0.087 0.000 0.191 239 E C 2.004 178.539 176.600 -0.110 0.000 0.982 239 E CA 0.547 56.896 56.400 -0.085 0.000 0.809 239 E CB -0.181 29.464 29.700 -0.092 0.000 0.756 239 E HN 0.235 nan 8.360 nan 0.000 0.459 240 M N -0.620 118.889 119.600 -0.151 0.000 2.080 240 M HA -0.151 4.381 4.480 0.087 0.000 0.260 240 M C 1.195 177.525 176.300 0.052 0.000 1.068 240 M CA 1.476 56.715 55.300 -0.102 0.000 1.109 240 M CB -0.121 32.405 32.600 -0.123 0.000 1.342 240 M HN 0.141 nan 8.290 nan 0.000 0.405 241 F N 0.338 120.240 119.950 -0.080 0.000 2.186 241 F HA -0.097 4.482 4.527 0.086 0.000 0.299 241 F C 2.644 178.370 175.800 -0.124 0.000 1.090 241 F CA 1.296 59.254 58.000 -0.070 0.000 1.307 241 F CB -1.347 37.639 39.000 -0.024 0.000 1.019 241 F HN 0.270 nan 8.300 nan 0.000 0.489 242 R N 0.377 120.916 120.500 0.064 0.000 2.083 242 R HA -0.146 4.246 4.340 0.087 0.000 0.237 242 R C 2.114 178.207 176.300 -0.345 0.000 1.137 242 R CA 1.726 57.795 56.100 -0.051 0.000 0.951 242 R CB -0.436 29.866 30.300 0.002 0.000 0.851 242 R HN 0.130 nan 8.270 nan 0.000 0.434 243 V N 1.277 120.951 119.914 -0.400 0.000 2.427 243 V HA -0.225 3.947 4.120 0.087 0.000 0.248 243 V C 2.346 177.973 176.094 -0.779 0.000 1.051 243 V CA 1.538 63.345 62.300 -0.823 0.000 1.048 243 V CB -0.359 31.239 31.823 -0.374 0.000 0.666 243 V HN 0.346 nan 8.190 nan 0.000 0.456 244 L N -0.291 120.726 121.223 -0.343 0.000 2.131 244 L HA -0.179 4.214 4.340 0.087 0.000 0.210 244 L C 2.375 179.105 176.870 -0.233 0.000 1.092 244 L CA 1.364 56.072 54.840 -0.221 0.000 0.759 244 L CB -0.728 41.295 42.059 -0.060 0.000 0.903 244 L HN 0.332 nan 8.230 nan 0.000 0.435 245 D N 0.293 120.550 120.400 -0.238 0.000 2.133 245 D HA -0.217 4.475 4.640 0.087 0.000 0.195 245 D C 1.854 178.126 176.300 -0.047 0.000 0.997 245 D CA 1.710 55.639 54.000 -0.119 0.000 0.840 245 D CB -0.098 40.667 40.800 -0.058 0.000 0.947 245 D HN 0.492 nan 8.370 nan 0.000 0.452 246 F N -1.021 118.929 119.950 -0.001 0.000 2.656 246 F HA 0.380 4.959 4.527 0.088 0.000 0.291 246 F C 2.146 177.929 175.800 -0.028 0.000 1.122 246 F CA -0.153 57.841 58.000 -0.010 0.000 1.427 246 F CB -0.436 38.563 39.000 -0.001 0.000 1.125 246 F HN -0.259 nan 8.300 nan 0.000 0.583 247 S N 1.025 116.717 115.700 -0.013 0.000 2.388 247 S HA -0.037 4.486 4.470 0.087 0.000 0.223 247 S C 2.161 176.727 174.600 -0.058 0.000 1.034 247 S CA 1.115 59.344 58.200 0.048 0.000 0.963 247 S CB -0.404 62.749 63.200 -0.078 0.000 0.827 247 S HN 0.236 nan 8.310 nan 0.000 0.481 248 V N 2.782 122.626 119.914 -0.117 0.000 2.343 248 V HA -0.089 4.083 4.120 0.087 0.000 0.247 248 V C -0.949 175.033 176.094 -0.187 0.000 1.051 248 V CA 1.547 63.730 62.300 -0.195 0.000 1.036 248 V CB -1.961 29.772 31.823 -0.150 0.000 0.654 248 V HN 0.321 nan 8.190 nan 0.000 0.451 249 P HA -0.113 nan 4.420 nan 0.000 0.226 249 P C 1.638 178.903 177.300 -0.057 0.000 1.146 249 P CA 1.362 64.438 63.100 -0.041 0.000 0.773 249 P CB -0.141 31.566 31.700 0.011 0.000 0.772 250 M N -2.090 117.466 119.600 -0.072 0.000 2.506 250 M HA 0.024 4.557 4.480 0.087 0.000 0.260 250 M C 0.694 176.904 176.300 -0.150 0.000 1.104 250 M CA 0.625 55.882 55.300 -0.073 0.000 1.112 250 M CB -0.269 32.311 32.600 -0.033 0.000 1.401 250 M HN -0.109 nan 8.290 nan 0.000 0.473 251 L N 0.703 121.782 121.223 -0.240 0.000 2.418 251 L HA 0.283 4.675 4.340 0.087 0.000 0.265 251 L C -2.064 174.646 176.870 -0.266 0.000 1.143 251 L CA -2.210 52.405 54.840 -0.376 0.000 0.809 251 L CB -0.315 41.435 42.059 -0.514 0.000 1.124 251 L HN -0.235 nan 8.230 nan 0.000 0.456 252 P HA -0.059 nan 4.420 nan 0.000 0.261 252 P C -0.055 177.337 177.300 0.154 0.000 1.183 252 P CA 0.294 63.337 63.100 -0.096 0.000 0.761 252 P CB 0.495 32.122 31.700 -0.121 0.000 0.785 253 D N 2.902 123.389 120.400 0.145 0.000 2.178 253 D HA -0.197 4.496 4.640 0.087 0.000 0.201 253 D C 1.066 177.475 176.300 0.181 0.000 0.980 253 D CA 1.251 55.374 54.000 0.204 0.000 0.842 253 D CB -0.025 40.844 40.800 0.116 0.000 0.948 253 D HN 0.380 nan 8.370 nan 0.000 0.472 254 D N -0.863 119.636 120.400 0.166 0.000 2.328 254 D HA -0.025 4.667 4.640 0.087 0.000 0.226 254 D C -0.055 176.450 176.300 0.341 0.000 1.066 254 D CA 0.214 54.327 54.000 0.188 0.000 0.861 254 D CB 0.046 40.924 40.800 0.130 0.000 0.912 254 D HN 0.018 nan 8.370 nan 0.000 0.521 255 K N 0.770 121.346 120.400 0.293 0.000 2.281 255 K HA 0.491 4.863 4.320 0.087 0.000 0.242 255 K C -2.763 173.699 176.600 -0.229 0.000 0.971 255 K CA -2.525 53.891 56.287 0.214 0.000 0.834 255 K CB 1.331 34.007 32.500 0.292 0.000 1.181 255 K HN -0.099 nan 8.250 nan 0.000 0.435 256 P HA 0.136 nan 4.420 nan 0.000 0.271 256 P C -0.884 176.226 177.300 -0.317 0.000 1.218 256 P CA 0.072 62.661 63.100 -0.851 0.000 0.780 256 P CB 0.236 31.511 31.700 -0.708 0.000 0.901 257 H N 0.956 119.931 119.070 -0.158 0.000 2.511 257 H HA 0.334 4.942 4.556 0.087 0.000 0.328 257 H C -0.883 174.430 175.328 -0.025 0.000 1.044 257 H CA -0.643 55.366 56.048 -0.065 0.000 1.212 257 H CB 0.799 30.530 29.762 -0.052 0.000 1.428 257 H HN 0.404 nan 8.280 nan 0.000 0.483 258 Y N 4.052 124.345 120.300 -0.012 0.000 2.328 258 Y HA 0.300 4.903 4.550 0.088 0.000 0.337 258 Y C -1.588 174.234 175.900 -0.130 0.000 0.966 258 Y CA -1.864 56.185 58.100 -0.084 0.000 1.136 258 Y CB 0.902 39.405 38.460 0.072 0.000 1.170 258 Y HN 0.505 nan 8.280 nan 0.000 0.470 259 L N 7.649 128.756 121.223 -0.193 0.000 2.262 259 L HA 0.476 4.869 4.340 0.087 0.000 0.288 259 L C -0.773 175.875 176.870 -0.370 0.000 1.035 259 L CA -0.387 54.288 54.840 -0.274 0.000 0.820 259 L CB 0.430 42.412 42.059 -0.129 0.000 1.204 259 L HN 0.693 nan 8.230 nan 0.000 0.424 260 M N 5.170 124.422 119.600 -0.580 0.000 2.200 260 M HA 0.321 4.853 4.480 0.087 0.000 0.355 260 M C 1.281 177.415 176.300 -0.278 0.000 1.283 260 M CA 0.544 55.490 55.300 -0.591 0.000 1.124 260 M CB 0.613 32.828 32.600 -0.641 0.000 1.625 260 M HN 0.882 nan 8.290 nan 0.000 0.463 261 G N 2.420 111.124 108.800 -0.161 0.000 2.136 261 G HA2 -0.162 3.851 3.960 0.087 0.000 0.242 261 G HA3 -0.162 3.851 3.960 0.087 0.000 0.242 261 G C -0.378 174.542 174.900 0.033 0.000 0.989 261 G CA -0.274 44.772 45.100 -0.090 0.000 0.682 261 G HN 0.586 nan 8.290 nan 0.000 0.522 262 V N -0.293 119.699 119.914 0.130 0.000 2.540 262 V HA 0.963 5.135 4.120 0.087 0.000 0.302 262 V C 0.738 177.080 176.094 0.413 0.000 1.035 262 V CA 0.522 62.976 62.300 0.255 0.000 0.873 262 V CB 1.370 33.380 31.823 0.311 0.000 0.992 262 V HN 1.572 nan 8.190 nan 0.000 0.428 263 G N 4.229 113.243 108.800 0.358 0.000 2.512 263 G HA2 0.198 4.210 3.960 0.087 0.000 0.181 263 G HA3 0.198 4.210 3.960 0.087 0.000 0.181 263 G C -1.151 173.899 174.900 0.251 0.000 1.173 263 G CA -0.897 44.354 45.100 0.252 0.000 0.988 263 G HN 0.539 nan 8.290 nan 0.000 0.485 264 K N 1.222 121.733 120.400 0.185 0.000 2.258 264 K HA 0.330 4.702 4.320 0.087 0.000 0.264 264 K C -1.615 174.963 176.600 -0.037 0.000 1.007 264 K CA -1.110 55.262 56.287 0.142 0.000 0.941 264 K CB 1.380 34.009 32.500 0.216 0.000 0.966 264 K HN 0.027 nan 8.250 nan 0.000 0.480 265 P HA -0.253 nan 4.420 nan 0.000 0.216 265 P C 0.418 177.555 177.300 -0.273 0.000 1.157 265 P CA 1.508 64.334 63.100 -0.457 0.000 0.880 265 P CB 0.106 31.493 31.700 -0.521 0.000 0.791 266 D N -1.069 119.328 120.400 -0.006 0.000 2.178 266 D HA -0.169 4.524 4.640 0.087 0.000 0.202 266 D C 1.306 177.765 176.300 0.265 0.000 0.974 266 D CA 1.083 55.240 54.000 0.262 0.000 0.841 266 D CB -1.167 39.968 40.800 0.558 0.000 0.953 266 D HN 0.149 nan 8.370 nan 0.000 0.478 267 D N 0.957 121.482 120.400 0.209 0.000 2.117 267 D HA -0.076 4.616 4.640 0.087 0.000 0.197 267 D C 2.410 178.846 176.300 0.226 0.000 0.987 267 D CA 0.547 54.717 54.000 0.283 0.000 0.829 267 D CB -0.149 40.764 40.800 0.188 0.000 0.961 267 D HN 0.336 nan 8.370 nan 0.000 0.460 268 I N 0.531 121.060 120.570 -0.068 0.000 2.179 268 I HA -0.219 4.003 4.170 0.087 0.000 0.242 268 I C 2.491 178.496 176.117 -0.187 0.000 1.088 268 I CA 0.578 61.604 61.300 -0.457 0.000 1.357 268 I CB -0.190 37.358 38.000 -0.755 0.000 1.051 268 I HN -0.119 nan 8.210 nan 0.000 0.409 269 V N 1.133 120.980 119.914 -0.111 0.000 2.287 269 V HA -0.244 3.929 4.120 0.087 0.000 0.248 269 V C 2.622 178.797 176.094 0.134 0.000 1.053 269 V CA 2.305 64.631 62.300 0.044 0.000 1.027 269 V CB -1.449 30.320 31.823 -0.091 0.000 0.646 269 V HN 0.582 nan 8.190 nan 0.000 0.447 270 G N -0.584 108.264 108.800 0.080 0.000 2.442 270 G HA2 -0.225 3.787 3.960 0.087 0.000 0.219 270 G HA3 -0.225 3.787 3.960 0.087 0.000 0.219 270 G C 1.738 176.443 174.900 -0.325 0.000 1.141 270 G CA 1.112 46.048 45.100 -0.274 0.000 0.763 270 G HN 0.627 nan 8.290 nan 0.000 0.554 271 A N 0.013 122.855 122.820 0.036 0.000 1.930 271 A HA 0.145 4.518 4.320 0.087 0.000 0.217 271 A C 2.577 180.304 177.584 0.238 0.000 1.175 271 A CA 1.632 53.784 52.037 0.193 0.000 0.627 271 A CB -0.518 18.800 19.000 0.530 0.000 0.815 271 A HN 0.244 nan 8.150 nan 0.000 0.443 272 V N 0.358 120.466 119.914 0.324 0.000 2.407 272 V HA -0.263 3.910 4.120 0.087 0.000 0.248 272 V C 2.272 178.485 176.094 0.199 0.000 1.055 272 V CA 2.164 64.611 62.300 0.245 0.000 1.049 272 V CB -0.866 31.042 31.823 0.142 0.000 0.662 272 V HN 0.634 nan 8.190 nan 0.000 0.455 273 E N -0.145 120.228 120.200 0.288 0.000 2.267 273 E HA -0.202 4.200 4.350 0.087 0.000 0.197 273 E C 1.966 178.620 176.600 0.090 0.000 0.998 273 E CA 0.891 57.444 56.400 0.255 0.000 0.830 273 E CB -0.098 29.661 29.700 0.097 0.000 0.751 273 E HN 0.545 nan 8.360 nan 0.000 0.491 274 R N -1.019 119.500 120.500 0.031 0.000 2.468 274 R HA 0.144 4.536 4.340 0.087 0.000 0.280 274 R C 0.673 176.998 176.300 0.042 0.000 0.963 274 R CA 0.428 56.526 56.100 -0.003 0.000 1.083 274 R CB 1.153 31.401 30.300 -0.086 0.000 1.200 274 R HN 0.186 nan 8.270 nan 0.000 0.541 275 G N 0.937 109.792 108.800 0.091 0.000 2.144 275 G HA2 -0.184 3.829 3.960 0.087 0.000 0.218 275 G HA3 -0.184 3.829 3.960 0.087 0.000 0.218 275 G C 0.003 175.018 174.900 0.192 0.000 0.988 275 G CA -0.611 44.575 45.100 0.144 0.000 0.659 275 G HN 0.092 nan 8.290 nan 0.000 0.522 276 I N 1.477 122.119 120.570 0.120 0.000 2.428 276 I HA 0.323 4.546 4.170 0.087 0.000 0.289 276 I C 0.473 176.582 176.117 -0.014 0.000 1.019 276 I CA -0.353 60.960 61.300 0.022 0.000 1.351 276 I CB 1.243 39.181 38.000 -0.103 0.000 1.412 276 I HN 0.038 nan 8.210 nan 0.000 0.513 277 D N 5.063 125.406 120.400 -0.096 0.000 2.454 277 D HA 0.212 4.904 4.640 0.087 0.000 0.214 277 D C 0.250 176.492 176.300 -0.097 0.000 1.088 277 D CA 0.723 54.688 54.000 -0.057 0.000 0.855 277 D CB 1.051 41.789 40.800 -0.104 0.000 1.025 277 D HN 0.404 nan 8.370 nan 0.000 0.502 278 M N 0.172 119.591 119.600 -0.301 0.000 2.433 278 M HA 0.412 4.944 4.480 0.087 0.000 0.290 278 M C -1.614 174.447 176.300 -0.398 0.000 1.173 278 M CA -0.531 54.639 55.300 -0.217 0.000 0.905 278 M CB 3.026 35.510 32.600 -0.194 0.000 1.692 278 M HN -0.305 nan 8.290 nan 0.000 0.462 279 F N 0.430 120.469 119.950 0.148 0.000 2.588 279 F HA 0.609 5.188 4.527 0.086 0.000 0.310 279 F C -0.758 174.996 175.800 -0.076 0.000 1.082 279 F CA -0.751 57.356 58.000 0.178 0.000 0.929 279 F CB 2.037 41.211 39.000 0.289 0.000 1.254 279 F HN 0.598 nan 8.300 nan 0.000 0.455 280 D N 0.440 120.921 120.400 0.136 0.000 2.756 280 D HA 0.674 5.367 4.640 0.087 0.000 0.226 280 D C -1.409 174.841 176.300 -0.083 0.000 1.186 280 D CA -0.374 53.502 54.000 -0.207 0.000 0.845 280 D CB 2.109 42.859 40.800 -0.083 0.000 1.610 280 D HN 0.789 nan 8.370 nan 0.000 0.465 281 C N 1.151 120.340 119.300 -0.185 0.000 3.253 281 C HA 0.673 5.185 4.460 0.087 0.000 0.342 281 C C 0.786 175.760 174.990 -0.027 0.000 1.306 281 C CA -0.001 59.014 59.018 -0.005 0.000 1.207 281 C CB 0.836 28.654 27.740 0.129 0.000 1.479 281 C HN 0.959 nan 8.230 nan 0.000 0.469 282 V N 2.216 122.135 119.914 0.008 0.000 3.471 282 V HA 0.147 4.319 4.120 0.087 0.000 0.258 282 V C 1.679 177.794 176.094 0.036 0.000 1.192 282 V CA 1.875 64.176 62.300 0.001 0.000 1.116 282 V CB -0.396 31.430 31.823 0.006 0.000 0.792 282 V HN 0.845 nan 8.190 nan 0.000 0.459 283 L N 1.318 122.588 121.223 0.078 0.000 2.010 283 L HA -0.146 4.246 4.340 0.087 0.000 0.219 283 L C 0.395 177.382 176.870 0.195 0.000 1.077 283 L CA 3.418 58.352 54.840 0.157 0.000 0.773 283 L CB -1.261 40.937 42.059 0.232 0.000 0.892 283 L HN 0.406 nan 8.230 nan 0.000 0.436 284 P HA -0.148 nan 4.420 nan 0.000 0.216 284 P C 1.429 178.798 177.300 0.115 0.000 1.150 284 P CA 2.516 65.701 63.100 0.141 0.000 0.837 284 P CB -0.402 31.144 31.700 -0.258 0.000 0.786 285 T N -1.834 112.744 114.554 0.041 0.000 2.706 285 T HA -0.045 4.357 4.350 0.087 0.000 0.255 285 T C 2.367 177.084 174.700 0.028 0.000 1.048 285 T CA 1.613 63.728 62.100 0.024 0.000 1.153 285 T CB -1.466 67.395 68.868 -0.011 0.000 0.865 285 T HN 0.053 nan 8.240 nan 0.000 0.414 286 R N 2.067 122.585 120.500 0.030 0.000 2.080 286 R HA -0.027 4.365 4.340 0.087 0.000 0.236 286 R C 2.769 179.089 176.300 0.035 0.000 1.137 286 R CA 2.385 58.500 56.100 0.026 0.000 0.943 286 R CB -1.869 28.450 30.300 0.032 0.000 0.846 286 R HN 0.773 nan 8.270 nan 0.000 0.431 287 S N -0.757 114.986 115.700 0.071 0.000 2.603 287 S HA 0.162 4.684 4.470 0.087 0.000 0.229 287 S C 2.092 176.700 174.600 0.014 0.000 0.972 287 S CA 0.721 58.951 58.200 0.050 0.000 0.935 287 S CB -0.112 63.145 63.200 0.095 0.000 0.769 287 S HN 0.729 nan 8.310 nan 0.000 0.536 288 G N 2.302 111.122 108.800 0.034 0.000 2.417 288 G HA2 -0.005 4.007 3.960 0.087 0.000 0.212 288 G HA3 -0.005 4.007 3.960 0.087 0.000 0.212 288 G C 1.649 176.530 174.900 -0.032 0.000 1.187 288 G CA -0.143 44.962 45.100 0.008 0.000 0.804 288 G HN 0.537 nan 8.290 nan 0.000 0.534 289 R N 0.726 121.211 120.500 -0.027 0.000 2.200 289 R HA -0.110 4.283 4.340 0.087 0.000 0.234 289 R C 2.027 178.294 176.300 -0.055 0.000 1.127 289 R CA 1.461 57.534 56.100 -0.046 0.000 0.989 289 R CB -0.392 29.886 30.300 -0.037 0.000 0.869 289 R HN 0.618 nan 8.270 nan 0.000 0.459 290 N N -0.747 117.926 118.700 -0.045 0.000 2.336 290 N HA 0.011 4.804 4.740 0.087 0.000 0.189 290 N C 0.921 176.392 175.510 -0.064 0.000 1.113 290 N CA 0.657 53.678 53.050 -0.048 0.000 0.858 290 N CB 0.949 39.419 38.487 -0.029 0.000 0.970 290 N HN 0.174 nan 8.380 nan 0.000 0.471 291 G N -0.253 108.499 108.800 -0.080 0.000 2.184 291 G HA2 -0.286 3.726 3.960 0.087 0.000 0.206 291 G HA3 -0.286 3.726 3.960 0.087 0.000 0.206 291 G C -0.289 174.532 174.900 -0.132 0.000 0.995 291 G CA -0.023 45.018 45.100 -0.099 0.000 0.651 291 G HN 0.532 nan 8.290 nan 0.000 0.511 292 Q N 0.781 120.492 119.800 -0.148 0.000 2.294 292 Q HA 0.652 5.044 4.340 0.087 0.000 0.257 292 Q C 0.050 175.851 176.000 -0.331 0.000 0.955 292 Q CA 0.263 55.910 55.803 -0.260 0.000 0.936 292 Q CB 0.878 29.447 28.738 -0.282 0.000 1.188 292 Q HN 0.798 nan 8.270 nan 0.000 0.420 293 A N 4.522 127.105 122.820 -0.395 0.000 2.303 293 A HA 0.560 4.933 4.320 0.087 0.000 0.320 293 A C -1.224 176.051 177.584 -0.516 0.000 1.192 293 A CA -0.605 51.244 52.037 -0.312 0.000 0.821 293 A CB 0.467 19.297 19.000 -0.283 0.000 1.188 293 A HN 0.730 nan 8.150 nan 0.000 0.492 294 F N 1.765 121.573 119.950 -0.235 0.000 2.443 294 F HA 0.502 5.079 4.527 0.084 0.000 0.353 294 F C 1.393 176.667 175.800 -0.877 0.000 1.101 294 F CA 0.770 58.383 58.000 -0.645 0.000 1.226 294 F CB 1.627 40.036 39.000 -0.985 0.000 1.140 294 F HN 0.638 nan 8.300 nan 0.000 0.557 295 T N -1.652 112.502 114.554 -0.668 0.000 2.883 295 T HA 0.262 4.665 4.350 0.087 0.000 0.296 295 T C 0.099 174.675 174.700 -0.207 0.000 1.117 295 T CA -0.941 60.899 62.100 -0.434 0.000 1.006 295 T CB 0.819 69.581 68.868 -0.177 0.000 1.191 295 T HN 0.596 nan 8.240 nan 0.000 0.508 296 W N 0.312 121.798 121.300 0.309 0.000 2.525 296 W HA 0.117 4.829 4.660 0.086 0.000 0.259 296 W C 1.295 177.867 176.519 0.090 0.000 1.253 296 W CA 0.162 57.716 57.345 0.349 0.000 1.262 296 W CB 0.067 29.696 29.460 0.282 0.000 1.122 296 W HN 0.678 nan 8.180 nan 0.000 0.607 297 D N -0.276 120.204 120.400 0.133 0.000 2.328 297 D HA 0.239 4.931 4.640 0.087 0.000 0.226 297 D C 1.125 177.218 176.300 -0.344 0.000 1.066 297 D CA 1.076 55.031 54.000 -0.076 0.000 0.861 297 D CB 0.116 40.902 40.800 -0.024 0.000 0.912 297 D HN 0.132 nan 8.370 nan 0.000 0.521 298 G N 1.972 110.417 108.800 -0.591 0.000 2.497 298 G HA2 -0.121 3.891 3.960 0.087 0.000 0.686 298 G HA3 -0.121 3.891 3.960 0.087 0.000 0.686 298 G C -3.093 171.469 174.900 -0.564 0.000 1.288 298 G CA -1.166 43.329 45.100 -1.008 0.000 0.899 298 G HN -0.169 nan 8.290 nan 0.000 0.608 299 P HA 0.568 nan 4.420 nan 0.000 0.274 299 P C 0.121 177.231 177.300 -0.317 0.000 1.231 299 P CA -0.210 62.620 63.100 -0.450 0.000 0.790 299 P CB 0.857 32.277 31.700 -0.467 0.000 0.951 300 I N -1.471 118.912 120.570 -0.311 0.000 2.740 300 I HA 0.572 4.794 4.170 0.087 0.000 0.303 300 I C -0.460 175.548 176.117 -0.183 0.000 1.044 300 I CA -1.083 60.111 61.300 -0.176 0.000 1.064 300 I CB 2.294 40.168 38.000 -0.209 0.000 1.249 300 I HN 0.076 nan 8.210 nan 0.000 0.433 301 N N 3.648 122.336 118.700 -0.021 0.000 2.501 301 N HA 0.228 5.020 4.740 0.087 0.000 0.245 301 N C 0.358 175.907 175.510 0.064 0.000 0.974 301 N CA -0.381 52.654 53.050 -0.026 0.000 0.941 301 N CB 1.632 40.123 38.487 0.006 0.000 1.122 301 N HN 0.850 nan 8.380 nan 0.000 0.507 302 I N 4.371 124.875 120.570 -0.109 0.000 2.700 302 I HA -0.097 4.125 4.170 0.087 0.000 0.261 302 I C 1.925 178.171 176.117 0.215 0.000 1.219 302 I CA 1.071 62.297 61.300 -0.124 0.000 1.463 302 I CB 0.021 37.891 38.000 -0.217 0.000 1.092 302 I HN 0.493 nan 8.210 nan 0.000 0.452 303 R N 0.259 120.834 120.500 0.125 0.000 2.235 303 R HA -0.047 4.345 4.340 0.087 0.000 0.213 303 R C 0.937 177.393 176.300 0.259 0.000 1.059 303 R CA 0.033 56.178 56.100 0.076 0.000 0.997 303 R CB -0.564 29.719 30.300 -0.028 0.000 0.884 303 R HN 0.368 nan 8.270 nan 0.000 0.462 304 N N 1.148 120.049 118.700 0.335 0.000 2.454 304 N HA -0.058 4.735 4.740 0.087 0.000 0.260 304 N C 0.692 176.319 175.510 0.195 0.000 1.218 304 N CA 0.294 53.469 53.050 0.209 0.000 0.904 304 N CB 1.224 39.773 38.487 0.104 0.000 1.065 304 N HN 0.101 nan 8.380 nan 0.000 0.462 305 A N 4.877 127.760 122.820 0.105 0.000 2.131 305 A HA -0.204 4.168 4.320 0.087 0.000 0.220 305 A C 1.978 179.449 177.584 -0.188 0.000 1.158 305 A CA 1.404 53.460 52.037 0.032 0.000 0.665 305 A CB -0.385 18.629 19.000 0.024 0.000 0.795 305 A HN 0.913 nan 8.150 nan 0.000 0.460 306 R N -1.865 118.439 120.500 -0.326 0.000 2.293 306 R HA -0.062 4.331 4.340 0.087 0.000 0.219 306 R C 0.566 176.521 176.300 -0.574 0.000 1.091 306 R CA 1.542 57.349 56.100 -0.487 0.000 1.004 306 R CB -0.519 29.396 30.300 -0.641 0.000 0.865 306 R HN 0.406 nan 8.270 nan 0.000 0.469 307 F N 1.310 121.131 119.950 -0.215 0.000 2.695 307 F HA 0.196 4.777 4.527 0.091 0.000 0.303 307 F C 2.170 177.703 175.800 -0.446 0.000 1.091 307 F CA 0.066 57.917 58.000 -0.248 0.000 1.300 307 F CB 0.446 39.367 39.000 -0.132 0.000 1.071 307 F HN 0.113 nan 8.300 nan 0.000 0.578 308 S N -0.010 115.364 115.700 -0.544 0.000 2.419 308 S HA -0.167 4.356 4.470 0.087 0.000 0.233 308 S C 1.121 175.636 174.600 -0.141 0.000 1.016 308 S CA 1.362 59.242 58.200 -0.533 0.000 0.974 308 S CB -0.362 62.660 63.200 -0.296 0.000 0.786 308 S HN 0.547 nan 8.310 nan 0.000 0.492 309 E N 0.664 120.813 120.200 -0.085 0.000 2.887 309 E HA 0.208 4.610 4.350 0.087 0.000 0.206 309 E C -1.108 175.498 176.600 0.010 0.000 0.983 309 E CA -0.276 56.114 56.400 -0.017 0.000 1.141 309 E CB 0.371 30.059 29.700 -0.020 0.000 1.061 309 E HN 0.317 nan 8.360 nan 0.000 0.468 310 D N 1.305 121.727 120.400 0.036 0.000 2.352 310 D HA 0.089 4.782 4.640 0.087 0.000 0.245 310 D C 0.649 176.997 176.300 0.080 0.000 1.224 310 D CA -0.084 53.962 54.000 0.077 0.000 0.879 310 D CB 0.906 41.810 40.800 0.173 0.000 1.057 310 D HN 0.178 nan 8.370 nan 0.000 0.491 311 L N 3.100 124.359 121.223 0.060 0.000 2.591 311 L HA 0.076 4.468 4.340 0.087 0.000 0.228 311 L C 1.257 178.161 176.870 0.057 0.000 1.133 311 L CA 0.201 55.077 54.840 0.060 0.000 0.880 311 L CB -0.071 42.013 42.059 0.041 0.000 1.033 311 L HN 0.125 nan 8.230 nan 0.000 0.450 312 K N 1.329 121.763 120.400 0.057 0.000 2.276 312 K HA 0.150 4.522 4.320 0.087 0.000 0.259 312 K C -2.137 174.487 176.600 0.040 0.000 1.001 312 K CA -1.640 54.676 56.287 0.047 0.000 0.927 312 K CB 0.037 32.566 32.500 0.049 0.000 0.969 312 K HN -0.160 nan 8.250 nan 0.000 0.490 313 P HA -0.011 nan 4.420 nan 0.000 0.273 313 P C 0.766 178.034 177.300 -0.052 0.000 1.250 313 P CA -0.110 63.001 63.100 0.019 0.000 0.793 313 P CB 0.529 32.254 31.700 0.041 0.000 1.011 314 L N -1.067 120.069 121.223 -0.146 0.000 2.021 314 L HA -0.133 4.260 4.340 0.087 0.000 0.215 314 L C 1.427 178.168 176.870 -0.216 0.000 1.074 314 L CA 1.779 56.431 54.840 -0.313 0.000 0.760 314 L CB -0.443 41.218 42.059 -0.664 0.000 0.889 314 L HN 0.511 nan 8.230 nan 0.000 0.433 315 D N -1.676 118.672 120.400 -0.087 0.000 2.780 315 D HA 0.103 4.795 4.640 0.087 0.000 0.242 315 D C 0.673 177.047 176.300 0.122 0.000 1.135 315 D CA 0.259 54.300 54.000 0.068 0.000 0.859 315 D CB 2.018 42.940 40.800 0.204 0.000 1.530 315 D HN -0.015 nan 8.370 nan 0.000 0.493 316 S N 2.501 118.284 115.700 0.138 0.000 2.423 316 S HA -0.111 4.411 4.470 0.087 0.000 0.231 316 S C 1.054 175.731 174.600 0.128 0.000 1.014 316 S CA 0.920 59.190 58.200 0.118 0.000 0.965 316 S CB -0.010 63.254 63.200 0.107 0.000 0.785 316 S HN 0.617 nan 8.310 nan 0.000 0.495 317 E N -0.299 120.008 120.200 0.179 0.000 2.434 317 E HA 0.210 4.612 4.350 0.087 0.000 0.207 317 E C 0.565 177.101 176.600 -0.108 0.000 0.929 317 E CA -0.238 56.218 56.400 0.094 0.000 1.001 317 E CB 0.382 30.151 29.700 0.114 0.000 1.016 317 E HN 0.490 nan 8.360 nan 0.000 0.502 318 C N 2.679 122.027 119.300 0.080 0.000 2.563 318 C HA -0.067 4.445 4.460 0.087 0.000 0.411 318 C C 1.344 176.278 174.990 -0.094 0.000 1.386 318 C CA -0.005 59.021 59.018 0.014 0.000 1.703 318 C CB -0.259 27.669 27.740 0.313 0.000 2.596 318 C HN 0.439 nan 8.230 nan 0.000 0.605 319 H N 3.831 123.034 119.070 0.222 0.000 2.529 319 H HA 0.136 4.743 4.556 0.084 0.000 0.277 319 H C 1.304 176.723 175.328 0.151 0.000 1.004 319 H CA 0.490 56.632 56.048 0.156 0.000 1.167 319 H CB -0.872 28.963 29.762 0.121 0.000 1.445 319 H HN 0.878 nan 8.280 nan 0.000 0.554 320 C N 0.312 119.758 119.300 0.244 0.000 2.649 320 C HA 0.585 5.098 4.460 0.087 0.000 0.377 320 C C 2.205 177.322 174.990 0.211 0.000 1.321 320 C CA 0.085 59.240 59.018 0.227 0.000 2.368 320 C CB 0.749 28.637 27.740 0.247 0.000 2.597 320 C HN 0.446 nan 8.230 nan 0.000 0.678 321 A N 1.814 124.756 122.820 0.203 0.000 2.015 321 A HA 0.041 4.413 4.320 0.087 0.000 0.219 321 A C 2.009 179.744 177.584 0.252 0.000 1.163 321 A CA 1.846 53.995 52.037 0.186 0.000 0.646 321 A CB -0.727 18.389 19.000 0.194 0.000 0.806 321 A HN 1.002 nan 8.150 nan 0.000 0.448 322 V N -1.194 118.925 119.914 0.342 0.000 2.379 322 V HA -0.262 3.910 4.120 0.087 0.000 0.245 322 V C 2.443 178.743 176.094 0.343 0.000 1.044 322 V CA 1.947 64.537 62.300 0.483 0.000 1.036 322 V CB -0.912 31.140 31.823 0.381 0.000 0.664 322 V HN 0.686 nan 8.190 nan 0.000 0.453 323 C N -0.144 119.299 119.300 0.238 0.000 2.468 323 C HA -0.010 4.503 4.460 0.087 0.000 0.277 323 C C 3.232 178.281 174.990 0.098 0.000 1.400 323 C CA 0.885 59.997 59.018 0.156 0.000 1.770 323 C CB -1.252 26.585 27.740 0.161 0.000 1.905 323 C HN 0.717 nan 8.230 nan 0.000 0.519 324 Q N 0.569 120.416 119.800 0.079 0.000 2.230 324 Q HA -0.013 4.379 4.340 0.087 0.000 0.202 324 Q C 1.992 177.921 176.000 -0.118 0.000 0.963 324 Q CA 2.100 57.904 55.803 0.001 0.000 0.866 324 Q CB -0.555 28.185 28.738 0.003 0.000 0.931 324 Q HN 0.803 nan 8.270 nan 0.000 0.452 325 K N -2.161 118.105 120.400 -0.224 0.000 2.462 325 K HA 0.357 4.730 4.320 0.087 0.000 0.201 325 K C 0.261 176.467 176.600 -0.656 0.000 1.268 325 K CA 0.267 56.170 56.287 -0.639 0.000 0.933 325 K CB 0.530 32.212 32.500 -1.363 0.000 1.162 325 K HN 0.575 nan 8.250 nan 0.000 0.527 326 W N 1.116 122.451 121.300 0.059 0.000 2.844 326 W HA 0.511 5.197 4.660 0.043 0.000 0.340 326 W C 0.032 176.599 176.519 0.081 0.000 1.093 326 W CA -1.068 56.329 57.345 0.086 0.000 1.212 326 W CB 1.735 31.316 29.460 0.201 0.000 1.422 326 W HN 0.255 nan 8.180 nan 0.000 0.515 327 S N 0.998 116.895 115.700 0.328 0.000 2.617 327 S HA 0.353 4.875 4.470 0.087 0.000 0.269 327 S C 1.089 175.806 174.600 0.194 0.000 1.292 327 S CA -0.431 57.892 58.200 0.206 0.000 1.010 327 S CB 1.960 65.262 63.200 0.170 0.000 0.944 327 S HN 0.503 nan 8.310 nan 0.000 0.536 328 R N 1.087 121.641 120.500 0.090 0.000 2.113 328 R HA -0.187 4.205 4.340 0.087 0.000 0.244 328 R C 2.589 178.963 176.300 0.122 0.000 1.142 328 R CA 1.793 57.909 56.100 0.027 0.000 0.953 328 R CB -1.153 29.138 30.300 -0.015 0.000 0.860 328 R HN 0.861 nan 8.270 nan 0.000 0.438 329 A N 0.151 123.065 122.820 0.157 0.000 1.908 329 A HA -0.233 4.139 4.320 0.087 0.000 0.218 329 A C 2.001 179.761 177.584 0.292 0.000 1.181 329 A CA 1.410 53.556 52.037 0.182 0.000 0.627 329 A CB -0.717 18.364 19.000 0.135 0.000 0.818 329 A HN 0.480 nan 8.150 nan 0.000 0.445 330 Y N 0.394 120.794 120.300 0.166 0.000 2.163 330 Y HA -0.119 4.478 4.550 0.078 0.000 0.288 330 Y C 1.977 177.970 175.900 0.155 0.000 1.136 330 Y CA 1.514 59.727 58.100 0.188 0.000 1.147 330 Y CB -0.339 38.241 38.460 0.201 0.000 0.987 330 Y HN 0.261 nan 8.280 nan 0.000 0.509 331 I N -0.562 120.014 120.570 0.010 0.000 2.315 331 I HA -0.311 3.911 4.170 0.087 0.000 0.248 331 I C 2.440 178.489 176.117 -0.112 0.000 1.117 331 I CA 1.713 62.914 61.300 -0.166 0.000 1.404 331 I CB -0.625 37.320 38.000 -0.092 0.000 1.071 331 I HN 0.300 nan 8.210 nan 0.000 0.419 332 H N 0.548 119.575 119.070 -0.072 0.000 2.289 332 H HA -0.336 4.271 4.556 0.086 0.000 0.296 332 H C 2.389 177.698 175.328 -0.032 0.000 1.091 332 H CA 2.588 58.623 56.048 -0.022 0.000 1.274 332 H CB -0.272 29.538 29.762 0.081 0.000 1.364 332 H HN 0.428 nan 8.280 nan 0.000 0.490 333 H N -0.062 119.010 119.070 0.003 0.000 2.319 333 H HA -0.130 4.477 4.556 0.086 0.000 0.297 333 H C 2.277 177.483 175.328 -0.203 0.000 1.097 333 H CA 2.317 58.318 56.048 -0.078 0.000 1.285 333 H CB -0.546 29.234 29.762 0.030 0.000 1.368 333 H HN 0.435 nan 8.280 nan 0.000 0.495 334 L N -0.242 120.617 121.223 -0.608 0.000 2.017 334 L HA -0.157 4.236 4.340 0.087 0.000 0.208 334 L C 2.462 179.073 176.870 -0.433 0.000 1.073 334 L CA 0.898 55.356 54.840 -0.638 0.000 0.745 334 L CB -0.370 41.343 42.059 -0.578 0.000 0.894 334 L HN 0.366 nan 8.230 nan 0.000 0.432 335 I N -0.169 120.198 120.570 -0.339 0.000 2.252 335 I HA -0.233 3.990 4.170 0.087 0.000 0.245 335 I C 2.662 178.625 176.117 -0.256 0.000 1.102 335 I CA 1.429 62.576 61.300 -0.256 0.000 1.385 335 I CB -0.966 36.911 38.000 -0.204 0.000 1.064 335 I HN 0.277 nan 8.210 nan 0.000 0.414 336 R N 0.667 120.977 120.500 -0.317 0.000 2.120 336 R HA -0.083 4.310 4.340 0.087 0.000 0.234 336 R C 2.164 178.333 176.300 -0.218 0.000 1.123 336 R CA 1.419 57.358 56.100 -0.269 0.000 0.975 336 R CB -0.238 29.859 30.300 -0.338 0.000 0.866 336 R HN 0.339 nan 8.270 nan 0.000 0.446 337 A N -0.177 122.468 122.820 -0.292 0.000 2.206 337 A HA 0.159 4.532 4.320 0.087 0.000 0.211 337 A C 1.373 178.843 177.584 -0.189 0.000 1.158 337 A CA 0.808 52.697 52.037 -0.247 0.000 0.761 337 A CB -0.134 18.636 19.000 -0.384 0.000 0.801 337 A HN 0.448 nan 8.150 nan 0.000 0.473 338 G N -0.514 108.173 108.800 -0.189 0.000 2.147 338 G HA2 -0.204 3.808 3.960 0.087 0.000 0.244 338 G HA3 -0.204 3.808 3.960 0.087 0.000 0.244 338 G C -0.224 174.591 174.900 -0.141 0.000 1.005 338 G CA 0.270 45.285 45.100 -0.142 0.000 0.713 338 G HN 0.474 nan 8.290 nan 0.000 0.515 339 E N -0.548 119.539 120.200 -0.188 0.000 2.313 339 E HA 0.382 4.784 4.350 0.087 0.000 0.276 339 E C 1.828 178.338 176.600 -0.150 0.000 1.031 339 E CA -0.634 55.666 56.400 -0.167 0.000 0.857 339 E CB 0.816 30.387 29.700 -0.216 0.000 1.040 339 E HN 0.276 nan 8.360 nan 0.000 0.408 340 I N 2.192 122.696 120.570 -0.111 0.000 2.194 340 I HA -0.319 3.904 4.170 0.087 0.000 0.246 340 I C 2.232 178.279 176.117 -0.117 0.000 1.093 340 I CA 0.851 62.093 61.300 -0.096 0.000 1.355 340 I CB -0.191 37.768 38.000 -0.068 0.000 1.046 340 I HN 0.419 nan 8.210 nan 0.000 0.413 341 L N 1.176 122.318 121.223 -0.136 0.000 2.187 341 L HA -0.112 4.280 4.340 0.087 0.000 0.213 341 L C 2.262 178.995 176.870 -0.227 0.000 1.100 341 L CA 2.036 56.773 54.840 -0.172 0.000 0.765 341 L CB -1.114 40.842 42.059 -0.172 0.000 0.904 341 L HN 0.194 nan 8.230 nan 0.000 0.437 342 G N -1.050 107.603 108.800 -0.244 0.000 2.421 342 G HA2 -0.268 3.745 3.960 0.087 0.000 0.216 342 G HA3 -0.268 3.745 3.960 0.087 0.000 0.216 342 G C 1.612 176.410 174.900 -0.170 0.000 1.171 342 G CA 0.787 45.737 45.100 -0.251 0.000 0.775 342 G HN 0.617 nan 8.290 nan 0.000 0.543 343 A N 0.596 123.336 122.820 -0.133 0.000 1.902 343 A HA 0.018 4.390 4.320 0.087 0.000 0.217 343 A C 2.481 180.023 177.584 -0.070 0.000 1.181 343 A CA 1.885 53.869 52.037 -0.089 0.000 0.623 343 A CB -0.373 18.582 19.000 -0.075 0.000 0.818 343 A HN 0.391 nan 8.150 nan 0.000 0.443 344 M N -0.563 118.987 119.600 -0.083 0.000 2.065 344 M HA -0.137 4.396 4.480 0.087 0.000 0.259 344 M C 2.110 178.381 176.300 -0.049 0.000 1.069 344 M CA 1.589 56.852 55.300 -0.061 0.000 1.110 344 M CB -0.546 32.010 32.600 -0.074 0.000 1.328 344 M HN 0.359 nan 8.290 nan 0.000 0.405 345 L N -0.847 120.315 121.223 -0.103 0.000 2.093 345 L HA -0.168 4.224 4.340 0.087 0.000 0.208 345 L C 2.685 179.566 176.870 0.018 0.000 1.085 345 L CA 0.681 55.478 54.840 -0.072 0.000 0.755 345 L CB -0.573 41.368 42.059 -0.197 0.000 0.904 345 L HN 0.379 nan 8.230 nan 0.000 0.435 346 M N -0.604 118.987 119.600 -0.015 0.000 2.132 346 M HA -0.139 4.394 4.480 0.087 0.000 0.263 346 M C 2.339 178.697 176.300 0.097 0.000 1.065 346 M CA 1.795 57.113 55.300 0.030 0.000 1.122 346 M CB -1.271 31.312 32.600 -0.027 0.000 1.365 346 M HN 0.222 nan 8.290 nan 0.000 0.411 347 T N -0.119 114.468 114.554 0.054 0.000 2.777 347 T HA -0.156 4.246 4.350 0.087 0.000 0.266 347 T C 1.752 176.505 174.700 0.088 0.000 1.040 347 T CA 1.492 63.630 62.100 0.063 0.000 1.141 347 T CB -0.146 68.737 68.868 0.025 0.000 0.868 347 T HN 0.474 nan 8.240 nan 0.000 0.444 348 E N 0.294 120.552 120.200 0.097 0.000 2.051 348 E HA -0.250 4.152 4.350 0.087 0.000 0.192 348 E C 2.086 178.780 176.600 0.157 0.000 0.991 348 E CA 1.322 57.794 56.400 0.121 0.000 0.799 348 E CB -0.134 29.645 29.700 0.130 0.000 0.748 348 E HN 0.672 nan 8.360 nan 0.000 0.449 349 H N 0.457 119.595 119.070 0.114 0.000 2.319 349 H HA -0.080 4.525 4.556 0.082 0.000 0.299 349 H C 1.874 177.309 175.328 0.179 0.000 1.092 349 H CA 2.328 58.457 56.048 0.136 0.000 1.302 349 H CB -0.081 29.738 29.762 0.095 0.000 1.373 349 H HN 0.124 nan 8.280 nan 0.000 0.497 350 N N 0.157 118.886 118.700 0.049 0.000 2.188 350 N HA -0.082 4.710 4.740 0.087 0.000 0.184 350 N C 2.079 177.670 175.510 0.135 0.000 1.018 350 N CA 1.343 54.459 53.050 0.111 0.000 0.858 350 N CB -0.115 38.553 38.487 0.302 0.000 0.989 350 N HN 0.464 nan 8.380 nan 0.000 0.426 351 I N 0.703 121.326 120.570 0.088 0.000 2.315 351 I HA -0.179 4.044 4.170 0.087 0.000 0.248 351 I C 2.168 178.338 176.117 0.087 0.000 1.117 351 I CA 0.692 62.042 61.300 0.085 0.000 1.404 351 I CB -0.262 37.789 38.000 0.086 0.000 1.071 351 I HN 0.047 nan 8.210 nan 0.000 0.419 352 A N 0.829 123.687 122.820 0.064 0.000 1.933 352 A HA -0.258 4.115 4.320 0.087 0.000 0.218 352 A C 2.224 179.817 177.584 0.015 0.000 1.175 352 A CA 1.372 53.447 52.037 0.063 0.000 0.628 352 A CB -0.917 18.138 19.000 0.091 0.000 0.814 352 A HN 0.449 nan 8.150 nan 0.000 0.444 353 F N -0.783 119.035 119.950 -0.220 0.000 2.075 353 F HA -0.199 4.378 4.527 0.083 0.000 0.297 353 F C 2.129 177.749 175.800 -0.300 0.000 1.113 353 F CA 1.897 59.706 58.000 -0.318 0.000 1.218 353 F CB -0.443 38.252 39.000 -0.509 0.000 0.984 353 F HN 0.289 nan 8.300 nan 0.000 0.472 354 Y N 0.815 120.929 120.300 -0.311 0.000 2.165 354 Y HA -0.269 4.333 4.550 0.086 0.000 0.286 354 Y C 2.638 178.297 175.900 -0.402 0.000 1.155 354 Y CA 1.904 59.665 58.100 -0.564 0.000 1.164 354 Y CB -0.710 37.162 38.460 -0.979 0.000 0.978 354 Y HN 0.145 nan 8.280 nan 0.000 0.513 355 Q N 0.006 119.778 119.800 -0.047 0.000 2.119 355 Q HA -0.212 4.180 4.340 0.087 0.000 0.201 355 Q C 2.115 178.098 176.000 -0.029 0.000 0.972 355 Q CA 1.379 57.191 55.803 0.014 0.000 0.847 355 Q CB -0.460 28.329 28.738 0.086 0.000 0.903 355 Q HN 0.635 nan 8.270 nan 0.000 0.433 356 Q N 0.232 119.997 119.800 -0.060 0.000 2.124 356 Q HA -0.140 4.252 4.340 0.087 0.000 0.202 356 Q C 2.135 178.129 176.000 -0.010 0.000 0.977 356 Q CA 0.900 56.709 55.803 0.010 0.000 0.850 356 Q CB -0.148 28.645 28.738 0.092 0.000 0.901 356 Q HN 0.201 nan 8.270 nan 0.000 0.429 357 L N 0.097 121.209 121.223 -0.186 0.000 2.017 357 L HA -0.199 4.193 4.340 0.087 0.000 0.208 357 L C 1.976 178.761 176.870 -0.143 0.000 1.073 357 L CA 1.727 56.493 54.840 -0.123 0.000 0.745 357 L CB -0.321 41.443 42.059 -0.491 0.000 0.894 357 L HN 0.218 nan 8.230 nan 0.000 0.432 358 M N -0.968 118.547 119.600 -0.142 0.000 2.159 358 M HA -0.161 4.371 4.480 0.087 0.000 0.263 358 M C 2.315 178.560 176.300 -0.093 0.000 1.063 358 M CA 1.580 56.830 55.300 -0.084 0.000 1.110 358 M CB -1.453 31.158 32.600 0.018 0.000 1.374 358 M HN 0.428 nan 8.290 nan 0.000 0.411 359 Q N 0.937 120.693 119.800 -0.073 0.000 2.123 359 Q HA -0.073 4.319 4.340 0.087 0.000 0.199 359 Q C 1.870 177.778 176.000 -0.155 0.000 0.966 359 Q CA 1.696 57.452 55.803 -0.078 0.000 0.845 359 Q CB -0.086 28.633 28.738 -0.030 0.000 0.907 359 Q HN 0.441 nan 8.270 nan 0.000 0.439 360 K N -0.238 120.036 120.400 -0.210 0.000 2.097 360 K HA -0.097 4.276 4.320 0.087 0.000 0.206 360 K C 2.009 178.212 176.600 -0.662 0.000 1.049 360 K CA 1.449 57.484 56.287 -0.421 0.000 0.933 360 K CB -0.156 32.076 32.500 -0.446 0.000 0.717 360 K HN 0.285 nan 8.250 nan 0.000 0.442 361 I N 0.595 120.850 120.570 -0.525 0.000 2.202 361 I HA -0.275 3.948 4.170 0.087 0.000 0.242 361 I C 2.396 178.311 176.117 -0.337 0.000 1.091 361 I CA 1.205 62.248 61.300 -0.428 0.000 1.368 361 I CB -0.199 37.646 38.000 -0.259 0.000 1.058 361 I HN 0.128 nan 8.210 nan 0.000 0.410 362 R N 0.674 121.032 120.500 -0.236 0.000 2.083 362 R HA -0.187 4.205 4.340 0.087 0.000 0.237 362 R C 1.952 178.161 176.300 -0.151 0.000 1.137 362 R CA 1.805 57.804 56.100 -0.168 0.000 0.951 362 R CB -0.471 29.769 30.300 -0.101 0.000 0.851 362 R HN 0.364 nan 8.270 nan 0.000 0.434 363 D N 0.096 120.402 120.400 -0.156 0.000 2.144 363 D HA -0.128 4.564 4.640 0.087 0.000 0.199 363 D C 2.073 178.311 176.300 -0.102 0.000 0.984 363 D CA 1.828 55.757 54.000 -0.118 0.000 0.834 363 D CB -0.229 40.502 40.800 -0.116 0.000 0.955 363 D HN 0.241 nan 8.370 nan 0.000 0.465 364 S N 0.221 115.836 115.700 -0.141 0.000 2.387 364 S HA -0.079 4.444 4.470 0.087 0.000 0.226 364 S C 2.255 176.877 174.600 0.036 0.000 1.026 364 S CA 0.441 58.622 58.200 -0.032 0.000 0.972 364 S CB -0.573 62.617 63.200 -0.018 0.000 0.814 364 S HN 0.230 nan 8.310 nan 0.000 0.477 365 I N 1.923 122.465 120.570 -0.047 0.000 2.252 365 I HA -0.115 4.107 4.170 0.087 0.000 0.245 365 I C 2.967 179.064 176.117 -0.033 0.000 1.102 365 I CA 1.334 62.605 61.300 -0.048 0.000 1.385 365 I CB -0.543 37.330 38.000 -0.211 0.000 1.064 365 I HN 0.406 nan 8.210 nan 0.000 0.414 366 S N 0.355 116.021 115.700 -0.056 0.000 2.419 366 S HA -0.168 4.354 4.470 0.087 0.000 0.233 366 S C 1.677 176.264 174.600 -0.021 0.000 1.016 366 S CA 1.379 59.554 58.200 -0.043 0.000 0.974 366 S CB -0.251 62.919 63.200 -0.051 0.000 0.786 366 S HN 0.463 nan 8.310 nan 0.000 0.492 367 E N -0.390 119.804 120.200 -0.011 0.000 2.474 367 E HA 0.244 4.646 4.350 0.087 0.000 0.195 367 E C 0.972 177.586 176.600 0.024 0.000 1.039 367 E CA 0.232 56.635 56.400 0.003 0.000 0.881 367 E CB 0.149 29.849 29.700 0.000 0.000 0.970 367 E HN 0.558 nan 8.360 nan 0.000 0.486 368 G N 2.878 111.702 108.800 0.039 0.000 2.221 368 G HA2 -0.339 3.674 3.960 0.087 0.000 0.265 368 G HA3 -0.339 3.674 3.960 0.087 0.000 0.265 368 G C 0.453 175.400 174.900 0.078 0.000 1.041 368 G CA 0.676 45.812 45.100 0.059 0.000 0.807 368 G HN 0.411 nan 8.290 nan 0.000 0.502 369 R N -1.596 118.967 120.500 0.104 0.000 2.668 369 R HA 0.468 4.860 4.340 0.087 0.000 0.435 369 R C 1.244 177.656 176.300 0.187 0.000 1.059 369 R CA -0.282 55.886 56.100 0.113 0.000 1.073 369 R CB -0.158 30.194 30.300 0.086 0.000 1.401 369 R HN 0.240 nan 8.270 nan 0.000 0.590 370 F N 1.869 121.856 119.950 0.061 0.000 2.206 370 F HA -0.064 4.515 4.527 0.087 0.000 0.298 370 F C 2.340 178.230 175.800 0.151 0.000 1.090 370 F CA 1.586 59.648 58.000 0.104 0.000 1.323 370 F CB -0.054 38.975 39.000 0.048 0.000 1.028 370 F HN 0.178 nan 8.300 nan 0.000 0.492 371 S N -0.135 115.493 115.700 -0.121 0.000 2.359 371 S HA -0.323 4.199 4.470 0.087 0.000 0.224 371 S C 2.156 176.673 174.600 -0.138 0.000 1.035 371 S CA 1.774 59.852 58.200 -0.204 0.000 1.018 371 S CB -0.662 62.503 63.200 -0.059 0.000 0.876 371 S HN 0.580 nan 8.310 nan 0.000 0.448 372 Q N 0.268 120.050 119.800 -0.031 0.000 2.061 372 Q HA -0.087 4.305 4.340 0.087 0.000 0.204 372 Q C 1.810 177.812 176.000 0.004 0.000 0.984 372 Q CA 2.194 57.996 55.803 -0.002 0.000 0.846 372 Q CB -0.940 27.820 28.738 0.037 0.000 0.902 372 Q HN 0.698 nan 8.270 nan 0.000 0.421 373 F N 0.249 120.150 119.950 -0.081 0.000 2.095 373 F HA -0.169 4.410 4.527 0.086 0.000 0.298 373 F C 1.896 177.663 175.800 -0.056 0.000 1.104 373 F CA 1.799 59.773 58.000 -0.043 0.000 1.232 373 F CB -0.719 38.294 39.000 0.021 0.000 0.987 373 F HN 0.139 nan 8.300 nan 0.000 0.475 374 A N 0.154 122.820 122.820 -0.256 0.000 1.902 374 A HA -0.203 4.169 4.320 0.087 0.000 0.217 374 A C 2.250 179.755 177.584 -0.132 0.000 1.181 374 A CA 2.617 54.482 52.037 -0.288 0.000 0.623 374 A CB -1.637 17.100 19.000 -0.439 0.000 0.818 374 A HN 0.567 nan 8.150 nan 0.000 0.443 375 Q N -0.152 119.576 119.800 -0.120 0.000 2.050 375 Q HA -0.245 4.147 4.340 0.087 0.000 0.202 375 Q C 1.762 177.732 176.000 -0.050 0.000 0.980 375 Q CA 1.960 57.732 55.803 -0.052 0.000 0.840 375 Q CB -1.034 27.678 28.738 -0.044 0.000 0.898 375 Q HN 0.729 nan 8.270 nan 0.000 0.424 376 D N -0.531 119.811 120.400 -0.097 0.000 2.117 376 D HA -0.097 4.596 4.640 0.087 0.000 0.197 376 D C 1.606 177.828 176.300 -0.130 0.000 0.987 376 D CA 1.364 55.303 54.000 -0.102 0.000 0.829 376 D CB -0.536 40.200 40.800 -0.107 0.000 0.961 376 D HN 0.570 nan 8.370 nan 0.000 0.460 377 F N 1.775 121.474 119.950 -0.418 0.000 2.095 377 F HA -0.156 4.423 4.527 0.086 0.000 0.298 377 F C 2.364 178.140 175.800 -0.039 0.000 1.104 377 F CA 1.490 59.288 58.000 -0.337 0.000 1.232 377 F CB -0.060 38.584 39.000 -0.594 0.000 0.987 377 F HN -0.226 nan 8.300 nan 0.000 0.475 378 R N 0.047 120.551 120.500 0.007 0.000 2.096 378 R HA -0.088 4.304 4.340 0.087 0.000 0.235 378 R C 2.435 178.830 176.300 0.159 0.000 1.127 378 R CA 1.126 57.326 56.100 0.166 0.000 0.968 378 R CB -0.701 29.766 30.300 0.278 0.000 0.861 378 R HN 0.431 nan 8.270 nan 0.000 0.440 379 A N 0.470 123.319 122.820 0.048 0.000 1.969 379 A HA -0.135 4.237 4.320 0.087 0.000 0.218 379 A C 2.050 179.646 177.584 0.021 0.000 1.169 379 A CA 1.086 53.152 52.037 0.049 0.000 0.635 379 A CB -0.260 18.749 19.000 0.015 0.000 0.810 379 A HN 0.196 nan 8.150 nan 0.000 0.445 380 R N -2.620 117.853 120.500 -0.046 0.000 2.128 380 R HA 0.005 4.397 4.340 0.087 0.000 0.211 380 R C 1.936 178.166 176.300 -0.117 0.000 1.067 380 R CA 0.839 56.908 56.100 -0.051 0.000 1.010 380 R CB -0.300 29.985 30.300 -0.026 0.000 0.922 380 R HN 0.536 nan 8.270 nan 0.000 0.457 381 Y N -0.026 119.995 120.300 -0.465 0.000 2.352 381 Y HA -0.010 4.591 4.550 0.086 0.000 0.292 381 Y C -0.161 175.325 175.900 -0.691 0.000 1.136 381 Y CA 1.093 58.757 58.100 -0.726 0.000 1.227 381 Y CB 0.161 37.783 38.460 -1.396 0.000 0.991 381 Y HN -0.105 nan 8.280 nan 0.000 0.545 382 F N 0.000 119.901 119.950 -0.082 0.000 2.286 382 F HA 0.000 4.580 4.527 0.089 0.000 0.279 382 F CA 0.000 57.957 58.000 -0.071 0.000 1.383 382 F CB 0.000 38.998 39.000 -0.003 0.000 1.145 382 F HN 0.000 nan 8.300 nan 0.000 0.574